G4VTG6_SCHMA Loading...

AP complex subunit sigma

AlphaFold DB , UniProt , Accession G4VTG6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M95.7Very high98Very high66 Ų6635.7 Ų35.733%0.32518%0.177SC..  0153.80-176.3178.4-82.900111.6I71 D72 D75 A120 G121 E122M1-I71 WeakPolarHBondContact O-CA 3.35Å; M1-D72 WeakPolarHBondContact CB-OD2 3.26Å; M1-D72 PolarHBondContact N-OD2 2.65Å; M1-D72 PolarHBondContact O-N 3.35Å; M1-D72 VanDerWaalsContact O-N 3.11Å; M1-D75 VanDerWaalsContact N-CG 3.32Å; M1-D75 PolarHBondContact N-OD1 2.67Å; M1-D75 PolarHBondContact N-OD2 3.04Å; M1-A120 WeakPolarHBondContact CE-O 3.42Å; M1-G121 VanDerWaalsContact CG-O 3.26Å; M1-G121 WeakPolarHBondContact CG-O 3.42Å; M1-E122 WeakPolarHBondContact CA-OE1 3.33Å; M1-E122 VanDerWaalsContact CB-OE1 3.27Å; M1-E122 WeakPolarHBondContact CB-OE1 3.41Å; M1-E122 HydrophobicContact CE-CG 4.15Å; M1-E122 VanDerWaalsContact CE-OE1 3.26Å; M1-E122 WeakPolarHBondContact CE-OE1 3.45Å; M1-E122 WeakPolarHBondContact CG-OE1 3.3Å
2I98.7Very high97.9Very high0 Ų034.7 Ų34.70%018%0.182CC..EExtended strand (participates in β ladder)trans-75.1124.2168-51.7169.4000109.9I5 Y20 M69 C70 I71 Y80 F118 G121I2-I5 HydrophobicContact CG2-CG1 3.87Å; I2-Y20 HydrophobicContact CB-CD2 4.22Å; I2-Y20 HydrophobicContact CB-CE2 4.45Å; I2-Y20 HydrophobicContact CG2-CD2 3.95Å; I2-Y20 HydrophobicContact CG2-CE2 4.09Å; I2-Y20 WeakPolarHBondContact O-CB 3.36Å; I2-M69 HydrophobicContact CD1-SD 4.13Å; I2-C70 CarbonylContact C-O 3.57Å; I2-C70 WeakPolarHBondContact CA-O 3.45Å; I2-I71 HydrophobicContact CG1-CG2 4.35Å; I2-Y80 HydrophobicContact CD1-CD1 4Å; I2-Y80 HydrophobicContact CD1-CE1 3.71Å; I2-Y80 HydrophobicContact CG1-CD1 3.74Å; I2-Y80 HydrophobicContact CG1-CE1 3.23Å; I2-F118 HydrophobicContact CD1-CD1 3.74Å; I2-F118 HydrophobicContact CD1-CE1 4.32Å; I2-F118 HydrophobicContact CD1-CG 4.4Å; I2-G121 VanDerWaalsContact CB-O 3.29Å; I2-G121 WeakPolarHBondContact CB-O 3.45Å; I2-G121 WeakPolarHBondContact CG1-O 3.48Å; I2-G121 PolarHBondContact N-O 2.74Å; I2-G121 WeakPolarHBondContact O-CA 3.48Å
3R98.5Very high97.9Very high72 Ų7242.2 Ų42.227%0.27221%0.213SC..EExtended strand (participates in β ladder)trans-86-42174.4-59.3-56.4-179.8176.5-0.8112.4Y20 M21 F55 C70 D72R3-Y20 PolarHBondContact O-N 2.99Å; R3-M21 HydrophobicContact CB-CG 4.43Å; R3-M21 HydrophobicContact CB-SD 3.86Å; R3-M21 PolarHBondContact O-N 2.71Å; R3-F55 HydrophobicContact CG-CD1 3.9Å; R3-F55 HydrophobicContact CG-CE1 3.76Å; R3-F55 HydrophobicContact CG-CG 4.45Å; R3-F55 HydrophobicContact CG-CZ 4.19Å; R3-C70 HydrophobicContact CB-CB 4.29Å; R3-C70 PolarHBondContact N-O 2.87Å; R3-D72 IonicContact CZ-OD1 3.55Å; R3-D72 IonicContact CZ-OD2 3.87Å; R3-D72 IonicContact NE-OD1 2.82Å; R3-D72 PolarHBondContact NE-OD1 2.97Å; R3-D72 IonicContact NE-OD2 2.74Å; R3-D72 IonicContact NH2-OD1 3.85Å; R3-D72 PolarHBondContact NH2-OD1 2.83Å; R3-D72 IonicContact NH2-OD2 3.43Å; R3-D72 PolarHBondContact NH2-OD2 3.02Å
4F98.8Very high97.9Very high2 Ų243 Ų431%0.00922%0.221CC..EExtended strand (participates in β ladder)trans-160.6159.7174.656.9-101.9000111.9L6 K18 W19 M21 L31 V35 F52 I57 C70F4-L6 HydrophobicContact CD2-CD1 4Å; F4-L6 HydrophobicContact CD2-CG 3.82Å; F4-L6 HydrophobicContact CE2-CD1 3.72Å; F4-L6 HydrophobicContact CE2-CG 4.05Å; F4-K18 CarbonylContact C-O 3.56Å; F4-K18 WeakPolarHBondContact CA-O 3.41Å; F4-K18 VanDerWaalsContact CB-O 3.26Å; F4-K18 WeakPolarHBondContact CB-O 3.37Å; F4-W19 HydrophobicContact CB-CD2 4.05Å; F4-W19 HydrophobicContact CB-CE3 3.48Å; F4-W19 VanDerWaalsContact CB-CE3 3.48Å; F4-W19 HydrophobicContact CB-CZ3 3.78Å; F4-W19 AromaticContact CD1-CE3 3.86Å; F4-W19 HydrophobicContact CD1-CE3 3.86Å; F4-W19 HydrophobicContact CD1-CH2 4.36Å; F4-W19 AromaticContact CD1-CZ3 3.43Å; F4-W19 HydrophobicContact CD1-CZ3 3.43Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.43Å; F4-W19 HydrophobicContact CD2-CZ3 4.31Å; F4-W19 AromaticContact CE1-CZ3 4Å; F4-W19 HydrophobicContact CE1-CZ3 4Å; F4-W19 AromaticContact CG-CE3 3.85Å; F4-W19 HydrophobicContact CG-CE3 3.85Å; F4-W19 HydrophobicContact CG-CH2 4.29Å; F4-W19 AromaticContact CG-CZ3 3.59Å; F4-W19 HydrophobicContact CG-CZ3 3.59Å; F4-M21 HydrophobicContact CD1-SD 4.21Å; F4-L31 HydrophobicContact CE1-CD1 4.08Å; F4-V35 HydrophobicContact CE2-CG2 4.06Å; F4-V35 HydrophobicContact CZ-CG2 4.01Å; F4-F52 HydrophobicContact CZ-CE1 4.46Å; F4-I57 HydrophobicContact CE2-CD1 4.25Å; F4-I57 HydrophobicContact CZ-CD1 4.14Å; F4-C70 HydrophobicContact CD1-CB 3.68Å; F4-C70 HydrophobicContact CD2-CB 3.66Å; F4-C70 HydrophobicContact CE1-CB 3.38Å; F4-C70 VanDerWaalsContact CE1-SG 3.55Å; F4-C70 HydrophobicContact CE2-CB 3.37Å; F4-C70 HydrophobicContact CG-CB 3.84Å; F4-C70 HydrophobicContact CZ-CB 3.23Å; F4-C70 PolarHBondContact O-N 2.82Å
5I98.9Very high98Very high6 Ų644.8 Ų44.83%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-119.3128.5173.7-51.3175.5000107.7I2 L16 A17 K18 Y20 C68 M69 V114 F118I2-I5 HydrophobicContact CG2-CG1 3.87Å; I5-L16 HydrophobicContact CB-CD2 4.32Å; I5-L16 HydrophobicContact CG2-CD2 4.07Å; I5-A17 WeakPolarHBondContact O-CA 3.35Å; I5-K18 HydrophobicContact CB-CB 4.26Å; I5-K18 PolarHBondContact N-O 2.95Å; I5-K18 PolarHBondContact O-N 3.27Å; I5-Y20 HydrophobicContact CD1-CE2 4.05Å; I5-Y20 HydrophobicContact CG1-CE2 4.2Å; I5-C68 WeakPolarHBondContact CA-O 3.3Å; I5-M69 HydrophobicContact CD1-CE 4.2Å; I5-M69 HydrophobicContact CG1-CG 4.21Å; I5-M69 HydrophobicContact CG2-CG 4.39Å; I5-V114 HydrophobicContact CD1-CG1 4.2Å; I5-F118 HydrophobicContact CD1-CB 4.23Å; I5-F118 HydrophobicContact CD1-CD2 3.78Å; I5-F118 HydrophobicContact CD1-CE2 4.34Å; I5-F118 HydrophobicContact CD1-CG 3.98Å
6L98.8Very high98Very high0 Ų042.1 Ų42.10%021%0.21CC..EExtended strand (participates in β ladder)trans-125.1135.9175.5-67.2177.4000110.2F4 L16 A17 W19 I32 V35 C68F4-L6 HydrophobicContact CD2-CD1 4Å; F4-L6 HydrophobicContact CD2-CG 3.82Å; F4-L6 HydrophobicContact CE2-CD1 3.72Å; F4-L6 HydrophobicContact CE2-CG 4.05Å; L6-L16 WeakPolarHBondContact CA-O 3.24Å; L6-A17 HydrophobicContact CD2-CB 3.6Å; L6-W19 HydrophobicContact CD2-CZ2 4.25Å; L6-I32 HydrophobicContact CD1-CG1 4.07Å; L6-I32 HydrophobicContact CD2-CD1 4.43Å; L6-I32 HydrophobicContact CD2-CG1 3.81Å; L6-V35 HydrophobicContact CD1-CB 4.16Å; L6-V35 HydrophobicContact CD1-CG1 4.23Å; L6-V35 HydrophobicContact CD1-CG2 4.34Å; L6-C68 HydrophobicContact CB-CB 4.37Å; L6-C68 PolarHBondContact N-O 2.91Å; L6-C68 PolarHBondContact O-N 3.3Å
7I98.8Very high98Very high1 Ų140.9 Ų40.91%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-120.9120.4166.5-52.6170.7000107.3R15 L16 L65 Y66 F67 F87 L103I7-R15 HydrophobicContact CB-CB 4.31Å; I7-R15 HydrophobicContact CG2-CB 4.14Å; I7-R15 PolarHBondContact O-N 3.13Å; I7-L16 HydrophobicContact CB-CB 4Å; I7-L16 HydrophobicContact CD1-CB 3.63Å; I7-L16 HydrophobicContact CD1-CD1 4.15Å; I7-L16 HydrophobicContact CD1-CD2 4.38Å; I7-L16 HydrophobicContact CD1-CG 4.27Å; I7-L16 HydrophobicContact CG1-CB 3.89Å; I7-L16 HydrophobicContact CG1-CD2 4.49Å; I7-L16 PolarHBondContact N-O 2.95Å; I7-L16 PolarHBondContact O-N 3.47Å; I7-L65 HydrophobicContact CG2-CB 4.46Å; I7-Y66 WeakPolarHBondContact CA-O 3.31Å; I7-F67 HydrophobicContact CD1-CD1 3.71Å; I7-F67 HydrophobicContact CD1-CE1 3.56Å; I7-F67 HydrophobicContact CD1-CZ 4.43Å; I7-F67 HydrophobicContact CG1-CD1 3.73Å; I7-F67 HydrophobicContact CG1-CE1 4.02Å; I7-F67 HydrophobicContact CG1-CG 4.31Å; I7-F67 HydrophobicContact CG2-CD1 4.24Å; I7-F67 HydrophobicContact CG2-CD2 4.35Å; I7-F67 HydrophobicContact CG2-CE1 4.12Å; I7-F67 HydrophobicContact CG2-CE2 4.22Å; I7-F67 HydrophobicContact CG2-CG 4.36Å; I7-F67 HydrophobicContact CG2-CZ 4.1Å; I7-F87 HydrophobicContact CD1-CE1 3.82Å; I7-F87 HydrophobicContact CD1-CZ 4.38Å; I7-L103 HydrophobicContact CD1-CD2 4.08Å; I7-L103 HydrophobicContact CG2-CD2 3.93Å
8Q98.7Very high98.1Very high1 Ų141.2 Ų41.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-131.8147.4-178.5-65.3173.3-7200110.6K13 I32 L65 Y66Q8-K13 WeakPolarHBondContact CA-O 3.46Å; Q8-I32 PolarHBondContact NE2-O 3.38Å; Q8-L65 CarbonylContact O-C 3.59Å; Q8-L65 WeakPolarHBondContact O-CA 3.21Å; Q8-Y66 PolarHBondContact N-O 3.25Å; Q8-Y66 PolarHBondContact O-N 3.48Å
9N98.1Very high98.1Very high18 Ų1841.7 Ų41.710%0.09621%0.207CC..EExtended strand (participates in β ladder)trans-85.5176.4171.576.56.7000112.4A11 G12 K13 R15 H36 G64 L65 E100N9-A11 PolarHBondContact O-N 3.08Å; N9-A11 VanDerWaalsContact O-N 3.14Å; N9-A11 WeakPolarHBondContact OD1-CA 3.33Å; N9-A11 PolarHBondContact OD1-N 3.29Å; N9-G12 PolarHBondContact O-N 3.02Å; N9-G12 PolarHBondContact OD1-N 3.39Å; N9-K13 PolarHBondContact N-O 2.88Å; N9-K13 WeakPolarHBondContact OD1-CB 3.44Å; N9-K13 PolarHBondContact OD1-N 2.89Å; N9-R15 PolarHBondContact ND2-NH2 3.48Å; N9-H36 PolarHBondContact O-NE2 2.97Å; N9-G64 CarbonylContact C-O 3.57Å; N9-G64 WeakPolarHBondContact CA-O 3.4Å; N9-L65 HydrophobicContact CB-CD2 3.72Å; N9-E100 WeakPolarHBondContact CB-OE1 3.27Å; N9-E100 PolarHBondContact ND2-OE1 2.77Å
10R96Very high98.1Very high149 Ų14941.9 Ų41.956%0.56221%0.206SC*.THydrogen-bonded Turntrans-55.6-30.8178.2-65.2-171.9-171.3171.212.1113.9G12 H36 A63 G64 Y66R10-G12 VanDerWaalsContact C-N 3.3Å; R10-G12 PolarHBondContact O-N 2.98Å; R10-H36 PolarHBondContact O-CE1 3.17Å; R10-H36 PolarHBondContact O-NE2 3.42Å; R10-A63 PolarHBondContact NH2-O 2.92Å; R10-G64 WeakPolarHBondContact CG-O 3.41Å; R10-G64 PolarHBondContact N-O 3.47Å; R10-G64 VanDerWaalsContact N-O 3.07Å; R10-Y66 HydrophobicContact CG-CE2 4.16Å
11A96.6Very high97.9Very high78 Ų7841.9 Ų41.965%0.64521%0.206SC*.THydrogen-bonded Turntrans-86.35.8-178.800000113.9N9 K13N9-A11 PolarHBondContact O-N 3.08Å; N9-A11 VanDerWaalsContact O-N 3.14Å; N9-A11 WeakPolarHBondContact OD1-CA 3.33Å; N9-A11 PolarHBondContact OD1-N 3.29Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.32Å
12G96.7Very high97.8Very high23 Ų2346.8 Ų46.824%0.23723%0.233CC..SBendtrans81.47.4-179.800000114.2N9 R10 T14 H36N9-G12 PolarHBondContact O-N 3.02Å; N9-G12 PolarHBondContact OD1-N 3.39Å; R10-G12 VanDerWaalsContact C-N 3.3Å; R10-G12 PolarHBondContact O-N 2.98Å; G12-T14 PolarHBondContact O-N 3.44Å; G12-H36 VanDerWaalsContact CA-CE1 3.42Å; G12-H36 WeakPolarHBondContact CA-CE1 3.38Å; G12-H36 VanDerWaalsContact CA-NE2 3.28Å; G12-H36 WeakPolarHBondContact CA-NE2 3.49Å; G12-H36 PolarHBondContact N-CE1 3.33Å; G12-H36 VanDerWaalsContact N-CE1 3.35Å; G12-H36 PolarHBondContact N-NE2 2.96Å; G12-H36 VanDerWaalsContact N-NE2 3.15Å
13K98.2Very high97.7Very high133 Ų13348 Ų4858%0.57824%0.239SC*.  trans-77.2123176.4-57.3-59.2-175.6-175.80109.9Q8 N9 A11Q8-K13 WeakPolarHBondContact CA-O 3.46Å; N9-K13 PolarHBondContact N-O 2.88Å; N9-K13 WeakPolarHBondContact OD1-CB 3.44Å; N9-K13 PolarHBondContact OD1-N 2.89Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.32Å
14T98.5Very high97.6Very high53 Ų5349.3 Ų49.333%0.32525%0.252SS..EExtended strand (participates in β ladder)trans-72.4129.9176.2-54.70000110.8G12 L16 A17 I32G12-T14 PolarHBondContact O-N 3.44Å; T14-L16 WeakPolarHBondContact CG2-O 3.42Å; T14-A17 HydrophobicContact CG2-CB 3.91Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.26Å
15R98.3Very high97.5Very high70 Ų7055 Ų5526%0.26428%0.282SS..EExtended strand (participates in β ladder)trans-104.3-27174.1-56.3-51.4-175.6-176.86.5112.1I7 N9 L65 E100 L103I7-R15 HydrophobicContact CB-CB 4.31Å; I7-R15 HydrophobicContact CG2-CB 4.14Å; I7-R15 PolarHBondContact O-N 3.13Å; N9-R15 PolarHBondContact ND2-NH2 3.48Å; R15-L65 HydrophobicContact CG-CD2 4.02Å; R15-E100 HydrophobicContact CG-CG 4.47Å; R15-E100 IonicContact CZ-OE1 2.84Å; R15-E100 IonicContact NE-OE1 2.71Å; R15-E100 PolarHBondContact NE-OE1 3.27Å; R15-E100 IonicContact NH2-OE1 3.2Å; R15-E100 PolarHBondContact NH2-OE1 3.5Å; R15-L103 HydrophobicContact CB-CB 4.2Å; R15-L103 HydrophobicContact CB-CD2 4.15Å
16L98.7Very high97.5Very high2 Ų260.7 Ų60.71%0.0131%0.309CS..EExtended strand (participates in β ladder)trans-152.6138.7173.4-173.7142.9000109.4I5 L6 I7 T14 K18 V110 Y111 V114I5-L16 HydrophobicContact CB-CD2 4.32Å; I5-L16 HydrophobicContact CG2-CD2 4.07Å; L6-L16 WeakPolarHBondContact CA-O 3.24Å; I7-L16 HydrophobicContact CB-CB 4Å; I7-L16 HydrophobicContact CD1-CB 3.63Å; I7-L16 HydrophobicContact CD1-CD1 4.15Å; I7-L16 HydrophobicContact CD1-CD2 4.38Å; I7-L16 HydrophobicContact CD1-CG 4.27Å; I7-L16 HydrophobicContact CG1-CB 3.89Å; I7-L16 HydrophobicContact CG1-CD2 4.49Å; I7-L16 PolarHBondContact N-O 2.95Å; I7-L16 PolarHBondContact O-N 3.47Å; T14-L16 WeakPolarHBondContact CG2-O 3.42Å; L16-K18 HydrophobicContact CD2-CB 4.2Å; L16-V110 HydrophobicContact CD1-CG1 3.59Å; L16-Y111 HydrophobicContact CD1-CD2 4.18Å; L16-Y111 HydrophobicContact CD1-CE2 4.03Å; L16-Y111 HydrophobicContact CG-CE1 4.46Å; L16-Y111 HydrophobicContact CG-CE2 3.91Å; L16-V114 HydrophobicContact CD1-CG2 3.74Å; L16-V114 HydrophobicContact CD2-CG2 4.48Å
17A98.6Very high97.4Very high21 Ų2164 Ų6417%0.17432%0.324CS..EExtended strand (participates in β ladder)trans-139.8109.7169.200000110.2I5 L6 T14 Y111I5-A17 WeakPolarHBondContact O-CA 3.35Å; L6-A17 HydrophobicContact CD2-CB 3.6Å; T14-A17 HydrophobicContact CG2-CB 3.91Å; A17-Y111 VanDerWaalsContact C-OH 3.32Å; A17-Y111 PolarHBondContact N-OH 2.84Å; A17-Y111 PolarHBondContact O-OH 2.84Å
18K98.5Very high97.4Very high46 Ų4666.2 Ų66.220%0.233%0.334CS..EExtended strand (participates in β ladder)trans-113.2127175.5-175.276.9179.8-162.30108.8F4 I5 L16 Y20 Y111 V114 D115F4-K18 CarbonylContact C-O 3.56Å; F4-K18 WeakPolarHBondContact CA-O 3.41Å; F4-K18 VanDerWaalsContact CB-O 3.26Å; F4-K18 WeakPolarHBondContact CB-O 3.37Å; I5-K18 HydrophobicContact CB-CB 4.26Å; I5-K18 PolarHBondContact N-O 2.95Å; I5-K18 PolarHBondContact O-N 3.27Å; L16-K18 HydrophobicContact CD2-CB 4.2Å; K18-Y20 HydrophobicContact CG-CE1 4.26Å; K18-Y20 HydrophobicContact CG-CE2 3.94Å; K18-Y111 HydrophobicContact CD-CD1 4.37Å; K18-Y111 HydrophobicContact CD-CE1 4.16Å; K18-V114 HydrophobicContact CB-CG1 4.39Å; K18-V114 HydrophobicContact CD-CG1 4.4Å; K18-V114 HydrophobicContact CG-CG1 4.13Å; K18-D115 WeakPolarHBondContact CE-OD1 3.25Å; K18-D115 IonicContact NZ-OD1 3.92Å; K18-D115 PolarHBondContact NZ-OD1 2.8Å; K18-D115 IonicContact NZ-OD2 2.89Å; K18-D115 PolarHBondContact NZ-OD2 3.43Å
19W98.4Very high97.4Very high51 Ų5170.8 Ų70.819%0.19336%0.355CS..EExtended strand (participates in β ladder)trans-113.5128-177.9-58.492.8000109.9F4 L6 L23 K28 L31 I32F4-W19 HydrophobicContact CB-CD2 4.05Å; F4-W19 HydrophobicContact CB-CE3 3.48Å; F4-W19 VanDerWaalsContact CB-CE3 3.48Å; F4-W19 HydrophobicContact CB-CZ3 3.78Å; F4-W19 AromaticContact CD1-CE3 3.86Å; F4-W19 HydrophobicContact CD1-CE3 3.86Å; F4-W19 HydrophobicContact CD1-CH2 4.36Å; F4-W19 AromaticContact CD1-CZ3 3.43Å; F4-W19 HydrophobicContact CD1-CZ3 3.43Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.43Å; F4-W19 HydrophobicContact CD2-CZ3 4.31Å; F4-W19 AromaticContact CE1-CZ3 4Å; F4-W19 HydrophobicContact CE1-CZ3 4Å; F4-W19 AromaticContact CG-CE3 3.85Å; F4-W19 HydrophobicContact CG-CE3 3.85Å; F4-W19 HydrophobicContact CG-CH2 4.29Å; F4-W19 AromaticContact CG-CZ3 3.59Å; F4-W19 HydrophobicContact CG-CZ3 3.59Å; L6-W19 HydrophobicContact CD2-CZ2 4.25Å; W19-L23 HydrophobicContact CE3-CD1 3.75Å; W19-L23 HydrophobicContact CZ3-CD1 3.64Å; W19-K28 HydrophobicContact CD2-CD 4.11Å; W19-K28 HydrophobicContact CD2-CG 3.83Å; W19-K28 HydrophobicContact CE3-CG 4.16Å; W19-K28 HydrophobicContact CG-CD 4.2Å; W19-K28 HydrophobicContact CG-CG 4.41Å; W19-K28 HydrophobicContact CH2-CB 3.98Å; W19-K28 HydrophobicContact CH2-CG 4.03Å; W19-K28 HydrophobicContact CZ2-CB 3.54Å; W19-K28 HydrophobicContact CZ2-CD 4.32Å; W19-K28 HydrophobicContact CZ2-CG 3.66Å; W19-K28 HydrophobicContact CZ3-CG 4.25Å; W19-L31 HydrophobicContact CH2-CB 3.87Å; W19-L31 HydrophobicContact CH2-CD1 4Å; W19-L31 HydrophobicContact CZ3-CB 4.34Å; W19-L31 HydrophobicContact CZ3-CD1 3.65Å; W19-I32 HydrophobicContact CH2-CG1 4.48Å; W19-I32 HydrophobicContact CZ2-CD1 4.13Å; W19-I32 HydrophobicContact CZ2-CG1 4.04Å
20Y98.1Very high97.4Very high46 Ų4674.5 Ų74.518%0.1837%0.37CS..SBendtrans-1101.8172.3-60-72.4000112.1I2 R3 I5 K18 F118I2-Y20 HydrophobicContact CB-CD2 4.22Å; I2-Y20 HydrophobicContact CB-CE2 4.45Å; I2-Y20 HydrophobicContact CG2-CD2 3.95Å; I2-Y20 HydrophobicContact CG2-CE2 4.09Å; I2-Y20 WeakPolarHBondContact O-CB 3.36Å; R3-Y20 PolarHBondContact O-N 2.99Å; I5-Y20 HydrophobicContact CD1-CE2 4.05Å; I5-Y20 HydrophobicContact CG1-CE2 4.2Å; K18-Y20 HydrophobicContact CG-CE1 4.26Å; K18-Y20 HydrophobicContact CG-CE2 3.94Å; Y20-F118 WeakPolarHBondContact OH-CB 3.23Å; Y20-F118 PolarHBondContact OH-O 3.46Å
21M94.6Very high97.5Very high42 Ų4267.6 Ų67.621%0.20735%0.345CS..SBendtrans-114.3145.6169.560.5-178.7-63.300109.8R3 F4 L23R3-M21 HydrophobicContact CB-CG 4.43Å; R3-M21 HydrophobicContact CB-SD 3.86Å; R3-M21 PolarHBondContact O-N 2.71Å; F4-M21 HydrophobicContact CD1-SD 4.21Å; M21-L23 HydrophobicContact CE-CD1 3.79Å; M21-L23 HydrophobicContact CE-CD2 3.34Å; M21-L23 HydrophobicContact CE-CG 3.75Å; M21-L23 HydrophobicContact CG-CD1 3.84Å; M21-L23 HydrophobicContact CG-CG 3.91Å; M21-L23 PolarHBondContact O-N 3.07Å; M21-L23 HydrophobicContact SD-CD1 3.83Å; M21-L23 HydrophobicContact SD-CD2 4.46Å; M21-L23 HydrophobicContact SD-CG 4.25Å
22N94.2Very high97.6Very high169 Ų16964.7 Ų64.790%0.90432%0.318SS*.  trans-78.7116.1177.9-69.2-20.2000109.4
23L94.9Very high97.7Very high25 Ų2569.1 Ų69.113%0.13133%0.333CS..  trans-137.9148.8177.9-62.6176.7000109W19 M21 E27 K28 L31W19-L23 HydrophobicContact CE3-CD1 3.75Å; W19-L23 HydrophobicContact CZ3-CD1 3.64Å; M21-L23 HydrophobicContact CE-CD1 3.79Å; M21-L23 HydrophobicContact CE-CD2 3.34Å; M21-L23 HydrophobicContact CE-CG 3.75Å; M21-L23 HydrophobicContact CG-CD1 3.84Å; M21-L23 HydrophobicContact CG-CG 3.91Å; M21-L23 PolarHBondContact O-N 3.07Å; M21-L23 HydrophobicContact SD-CD1 3.83Å; M21-L23 HydrophobicContact SD-CD2 4.46Å; M21-L23 HydrophobicContact SD-CG 4.25Å; L23-E27 HydrophobicContact CB-CB 4.49Å; L23-E27 HydrophobicContact CD1-CG 4.35Å; L23-E27 HydrophobicContact CD2-CG 4.07Å; L23-E27 WeakPolarHBondContact CD2-OE2 3.28Å; L23-K28 HydrophobicContact CB-CG 3.87Å; L23-K28 HydrophobicContact CD1-CG 4.34Å; L23-K28 WeakPolarHBondContact O-CE 3.44Å; L23-K28 PolarHBondContact O-NZ 3.15Å; L23-L31 HydrophobicContact CD1-CD1 3.4Å; L23-L31 VanDerWaalsContact CD1-CD1 3.4Å
24D97.1Very high97.7Very high99 Ų9966.3 Ų66.353%0.52932%0.322SS..  trans-71.8166.3165.165.342.9000110.9E26 E27 K28D24-E26 VanDerWaalsContact C-N 3.28Å; D24-E26 PolarHBondContact O-N 3.37Å; D24-E26 PolarHBondContact OD1-N 3.5Å; D24-E27 PolarHBondContact O-N 2.94Å; D24-E27 WeakPolarHBondContact OD1-CB 3.25Å; D24-E27 PolarHBondContact OD1-N 3.47Å; D24-K28 VanDerWaalsContact O-CG 3.3Å; D24-K28 WeakPolarHBondContact O-CG 3.33Å; D24-K28 PolarHBondContact O-N 3.39Å; D24-K28 VanDerWaalsContact O-N 3.08Å
25D97.2Very high97.7Very high122 Ų12263.8 Ų63.865%0.65231%0.306SS*.Hα-helixtrans-72-24.1-174.7-64.9-24000112.8K28 Q29D25-K28 IonicContact OD1-NZ 3.72Å; D25-K28 PolarHBondContact OD1-NZ 3.35Å; D25-Q29 WeakPolarHBondContact O-CB 3.37Å; D25-Q29 PolarHBondContact O-N 3.35Å
26E98.2Very high97.8Very high126 Ų12661.9 Ų61.959%0.58930%0.3SS*.Hα-helixtrans-68.8-45.4175.8-169.8-172.9152.500110.8D24 Q29 K30D24-E26 VanDerWaalsContact C-N 3.28Å; D24-E26 PolarHBondContact O-N 3.37Å; D24-E26 PolarHBondContact OD1-N 3.5Å; E26-Q29 PolarHBondContact O-N 3.04Å; E26-K30 WeakPolarHBondContact O-CG 3.34Å; E26-K30 PolarHBondContact O-N 3.31Å; E26-K30 WeakPolarHBondContact OE1-CE 3.39Å; E26-K30 IonicContact OE1-NZ 2.67Å; E26-K30 PolarHBondContact OE1-NZ 3.43Å
27E97.4Very high97.7Very high69 Ų6964.4 Ų64.432%0.32232%0.322SS..Hα-helixtrans-66.9-41176.3-174169.3-172.400111.5L23 D24 Q29 K30 L31 R53L23-E27 HydrophobicContact CB-CB 4.49Å; L23-E27 HydrophobicContact CD1-CG 4.35Å; L23-E27 HydrophobicContact CD2-CG 4.07Å; L23-E27 WeakPolarHBondContact CD2-OE2 3.28Å; D24-E27 PolarHBondContact O-N 2.94Å; D24-E27 WeakPolarHBondContact OD1-CB 3.25Å; D24-E27 PolarHBondContact OD1-N 3.47Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.37Å; E27-K30 PolarHBondContact O-N 3.08Å; E27-L31 HydrophobicContact CG-CD1 4.26Å; E27-L31 HydrophobicContact CG-CG 4.48Å; E27-L31 WeakPolarHBondContact O-CG 3.48Å; E27-L31 PolarHBondContact O-N 2.74Å; E27-R53 IonicContact OE1-NH1 3.58Å
28K98.5Very high97.7Very high48 Ų4865.7 Ų65.721%0.20933%0.325CS..Hα-helixtrans-56.7-45.1173-71.3174.9-164.4148.80111.6W19 L23 D24 D25 L31 I32W19-K28 HydrophobicContact CD2-CD 4.11Å; W19-K28 HydrophobicContact CD2-CG 3.83Å; W19-K28 HydrophobicContact CE3-CG 4.16Å; W19-K28 HydrophobicContact CG-CD 4.2Å; W19-K28 HydrophobicContact CG-CG 4.41Å; W19-K28 HydrophobicContact CH2-CB 3.98Å; W19-K28 HydrophobicContact CH2-CG 4.03Å; W19-K28 HydrophobicContact CZ2-CB 3.54Å; W19-K28 HydrophobicContact CZ2-CD 4.32Å; W19-K28 HydrophobicContact CZ2-CG 3.66Å; W19-K28 HydrophobicContact CZ3-CG 4.25Å; L23-K28 HydrophobicContact CB-CG 3.87Å; L23-K28 HydrophobicContact CD1-CG 4.34Å; L23-K28 WeakPolarHBondContact O-CE 3.44Å; L23-K28 PolarHBondContact O-NZ 3.15Å; D24-K28 VanDerWaalsContact O-CG 3.3Å; D24-K28 WeakPolarHBondContact O-CG 3.33Å; D24-K28 PolarHBondContact O-N 3.39Å; D24-K28 VanDerWaalsContact O-N 3.08Å; D25-K28 IonicContact OD1-NZ 3.72Å; D25-K28 PolarHBondContact OD1-NZ 3.35Å; K28-L31 PolarHBondContact O-N 3.23Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.42Å; K28-I32 PolarHBondContact O-N 3.05Å
29Q98.4Very high97.7Very high96 Ų9663.5 Ų63.545%0.44932%0.316SS..Hα-helixtrans-64.9-42.8-179.9-175.957.131.800111.7D25 E26 E27 L31 I32 E33D25-Q29 WeakPolarHBondContact O-CB 3.37Å; D25-Q29 PolarHBondContact O-N 3.35Å; E26-Q29 PolarHBondContact O-N 3.04Å; E27-Q29 VanDerWaalsContact C-N 3.3Å; E27-Q29 PolarHBondContact O-N 3.37Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-L31 PolarHBondContact O-N 3.45Å; Q29-I32 PolarHBondContact O-N 3.39Å; Q29-E33 PolarHBondContact NE2-OE1 2.71Å; Q29-E33 PolarHBondContact O-N 2.99Å; Q29-E33 VanDerWaalsContact O-N 3.13Å
30K98.4Very high97.6Very high96 Ų9663.1 Ų63.142%0.41732%0.319SS..Hα-helixtrans-58.4-45.3174.1-72.2172.5-174.4164.80111.8E26 E27 I32 E33 E34E26-K30 WeakPolarHBondContact O-CG 3.34Å; E26-K30 PolarHBondContact O-N 3.31Å; E26-K30 WeakPolarHBondContact OE1-CE 3.39Å; E26-K30 IonicContact OE1-NZ 2.67Å; E26-K30 PolarHBondContact OE1-NZ 3.43Å; E27-K30 PolarHBondContact O-N 3.08Å; K30-I32 PolarHBondContact O-N 3.45Å; K30-E33 PolarHBondContact O-N 2.97Å; K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 WeakPolarHBondContact O-CG 3.48Å; K30-E34 PolarHBondContact O-N 3.37Å
31L98.5Very high97.5Very high5 Ų566.7 Ų66.73%0.02635%0.345CS..Hα-helixtrans-64.2-39.1178.3-71.4174.3000112.6F4 W19 L23 E27 K28 Q29 E33 E34 V35 F52F4-L31 HydrophobicContact CE1-CD1 4.08Å; W19-L31 HydrophobicContact CH2-CB 3.87Å; W19-L31 HydrophobicContact CH2-CD1 4Å; W19-L31 HydrophobicContact CZ3-CB 4.34Å; W19-L31 HydrophobicContact CZ3-CD1 3.65Å; L23-L31 HydrophobicContact CD1-CD1 3.4Å; L23-L31 VanDerWaalsContact CD1-CD1 3.4Å; E27-L31 HydrophobicContact CG-CD1 4.26Å; E27-L31 HydrophobicContact CG-CG 4.48Å; E27-L31 WeakPolarHBondContact O-CG 3.48Å; E27-L31 PolarHBondContact O-N 2.74Å; K28-L31 PolarHBondContact O-N 3.23Å; Q29-L31 VanDerWaalsContact C-N 3.34Å; Q29-L31 PolarHBondContact O-N 3.45Å; L31-E33 VanDerWaalsContact C-N 3.32Å; L31-E33 PolarHBondContact O-N 3.23Å; L31-E34 PolarHBondContact O-N 2.89Å; L31-V35 WeakPolarHBondContact O-CB 3.47Å; L31-V35 VanDerWaalsContact O-CG2 3.24Å; L31-V35 WeakPolarHBondContact O-CG2 3.3Å; L31-V35 PolarHBondContact O-N 2.88Å; L31-F52 HydrophobicContact CD2-CE1 3.69Å; L31-F52 HydrophobicContact CD2-CZ 3.73Å
32I98.8Very high97.5Very high16 Ų1667.2 Ų67.28%0.08235%0.345CS..Hα-helixtrans-59.8-42.9175.6-74.5168.7000111.1L6 Q8 T14 W19 K28 Q29 K30 H36L6-I32 HydrophobicContact CD1-CG1 4.07Å; L6-I32 HydrophobicContact CD2-CD1 4.43Å; L6-I32 HydrophobicContact CD2-CG1 3.81Å; Q8-I32 PolarHBondContact NE2-O 3.38Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.26Å; W19-I32 HydrophobicContact CH2-CG1 4.48Å; W19-I32 HydrophobicContact CZ2-CD1 4.13Å; W19-I32 HydrophobicContact CZ2-CG1 4.04Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.42Å; K28-I32 PolarHBondContact O-N 3.05Å; Q29-I32 PolarHBondContact O-N 3.39Å; K30-I32 PolarHBondContact O-N 3.45Å; I32-H36 WeakPolarHBondContact O-CB 3.12Å; I32-H36 PolarHBondContact O-N 2.84Å
33E98.6Very high97.3Very high117 Ų11763.1 Ų63.155%0.54732%0.323SS..Hα-helixtrans-71.9-45.5179.3-69.8172.6-167.700111.9Q29 K30 L31 H36 A37Q29-E33 PolarHBondContact NE2-OE1 2.71Å; Q29-E33 PolarHBondContact O-N 2.99Å; Q29-E33 VanDerWaalsContact O-N 3.13Å; K30-E33 PolarHBondContact O-N 2.97Å; L31-E33 VanDerWaalsContact C-N 3.32Å; L31-E33 PolarHBondContact O-N 3.23Å; E33-H36 PolarHBondContact O-N 2.94Å; E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 3.1Å
34E98.5Very high97.1Very high73 Ų7367.2 Ų67.234%0.34136%0.361SS..Hα-helixtrans-61.4-45.9178.9-77177.1-152.300112.1K30 L31 H36 A37 L38 F52 R53K30-E34 WeakPolarHBondContact O-CB 3.37Å; K30-E34 WeakPolarHBondContact O-CG 3.48Å; K30-E34 PolarHBondContact O-N 3.37Å; L31-E34 PolarHBondContact O-N 2.89Å; E34-H36 PolarHBondContact O-N 2.86Å; E34-A37 PolarHBondContact O-N 3Å; E34-L38 VanDerWaalsContact O-CB 3.25Å; E34-L38 WeakPolarHBondContact O-CB 3.16Å; E34-L38 PolarHBondContact O-N 3.48Å; E34-F52 HydrophobicContact CB-CE2 3.88Å; E34-F52 HydrophobicContact CB-CZ 3.96Å; E34-F52 WeakPolarHBondContact OE2-CE2 3.35Å; E34-F52 VanDerWaalsContact OE2-CZ 3.3Å; E34-F52 WeakPolarHBondContact OE2-CZ 3.49Å; E34-R53 IonicContact OE1-CZ 3.89Å; E34-R53 IonicContact OE1-NH2 4Å; E34-R53 PolarHBondContact OE1-NH2 3.4Å; E34-R53 IonicContact OE2-CZ 3.85Å; E34-R53 IonicContact OE2-NE 3.33Å; E34-R53 PolarHBondContact OE2-NE 3.11Å; E34-R53 IonicContact OE2-NH2 2.74Å; E34-R53 PolarHBondContact OE2-NH2 2.64Å
35V98.7Very high96.9Very high0 Ų071.7 Ų71.70%038%0.375CS..Hα-helixtrans-64.8-41.8179.4170.60000110.8F4 L6 L31 L38 V39 F52 I57 C68F4-V35 HydrophobicContact CE2-CG2 4.06Å; F4-V35 HydrophobicContact CZ-CG2 4.01Å; L6-V35 HydrophobicContact CD1-CB 4.16Å; L6-V35 HydrophobicContact CD1-CG1 4.23Å; L6-V35 HydrophobicContact CD1-CG2 4.34Å; L31-V35 WeakPolarHBondContact O-CB 3.47Å; L31-V35 VanDerWaalsContact O-CG2 3.24Å; L31-V35 WeakPolarHBondContact O-CG2 3.3Å; L31-V35 PolarHBondContact O-N 2.88Å; V35-L38 PolarHBondContact O-N 2.94Å; V35-V39 WeakPolarHBondContact O-CG2 3.39Å; V35-V39 PolarHBondContact O-N 3.09Å; V35-F52 HydrophobicContact CG2-CE1 4.11Å; V35-F52 HydrophobicContact CG2-CZ 4.13Å; V35-I57 HydrophobicContact CG1-CG2 4.49Å; V35-I57 HydrophobicContact CG2-CD1 3.86Å; V35-I57 HydrophobicContact CG2-CG1 4.31Å; V35-C68 HydrophobicContact CG1-CB 4.13Å
36H98.7Very high96.9Very high30 Ų3070.2 Ų70.214%0.13937%0.365CS..Hα-helixtrans-61.5-50177.6-174.9-103.7000111.9N9 R10 G12 I32 E33 E34 L38 V39 T40N9-H36 PolarHBondContact O-NE2 2.97Å; R10-H36 PolarHBondContact O-CE1 3.17Å; R10-H36 PolarHBondContact O-NE2 3.42Å; G12-H36 VanDerWaalsContact CA-CE1 3.42Å; G12-H36 WeakPolarHBondContact CA-CE1 3.38Å; G12-H36 VanDerWaalsContact CA-NE2 3.28Å; G12-H36 WeakPolarHBondContact CA-NE2 3.49Å; G12-H36 PolarHBondContact N-CE1 3.33Å; G12-H36 VanDerWaalsContact N-CE1 3.35Å; G12-H36 PolarHBondContact N-NE2 2.96Å; G12-H36 VanDerWaalsContact N-NE2 3.15Å; I32-H36 WeakPolarHBondContact O-CB 3.12Å; I32-H36 PolarHBondContact O-N 2.84Å; E33-H36 PolarHBondContact O-N 2.94Å; E34-H36 PolarHBondContact O-N 2.86Å; H36-L38 VanDerWaalsContact C-N 3.26Å; H36-L38 PolarHBondContact O-N 3.2Å; H36-V39 PolarHBondContact O-N 3.2Å; H36-T40 WeakPolarHBondContact NE2-CG2 3.44Å; H36-T40 WeakPolarHBondContact O-CB 3.4Å; H36-T40 VanDerWaalsContact O-CG2 3.25Å; H36-T40 WeakPolarHBondContact O-CG2 3.43Å; H36-T40 PolarHBondContact O-N 2.81Å; H36-T40 VanDerWaalsContact O-N 3.07Å; H36-T40 PolarHBondContact O-OG1 2.85Å
37A98.4Very high96.8Very high56 Ų5668.3 Ų68.346%0.46336%0.361SS..Hα-helixtrans-58.9-40.4177.300000111.3E33 E34 T40 V41E33-A37 WeakPolarHBondContact O-CB 3.44Å; E33-A37 PolarHBondContact O-N 3.1Å; E34-A37 PolarHBondContact O-N 3Å; A37-T40 PolarHBondContact O-OG1 2.95Å; A37-V41 WeakPolarHBondContact O-CG2 3.34Å
38L98.2Very high96.9Very high48 Ų4867.6 Ų67.625%0.25136%0.36SS..Hα-helixtrans-64.4-45.7-179.9-176.166.9000113.1E34 V35 H36 R42 V50 F52 I57E34-L38 VanDerWaalsContact O-CB 3.25Å; E34-L38 WeakPolarHBondContact O-CB 3.16Å; E34-L38 PolarHBondContact O-N 3.48Å; V35-L38 PolarHBondContact O-N 2.94Å; H36-L38 VanDerWaalsContact C-N 3.26Å; H36-L38 PolarHBondContact O-N 3.2Å; L38-R42 VanDerWaalsContact O-CD 3.23Å; L38-R42 WeakPolarHBondContact O-CD 3.37Å; L38-R42 WeakPolarHBondContact O-CG 3.47Å; L38-V50 HydrophobicContact CD1-CG2 3.93Å; L38-V50 HydrophobicContact CD2-CB 4.42Å; L38-V50 HydrophobicContact CD2-CG1 3.54Å; L38-V50 HydrophobicContact CD2-CG2 3.97Å; L38-V50 HydrophobicContact CG-CG1 4.02Å; L38-V50 HydrophobicContact CG-CG2 4.09Å; L38-F52 HydrophobicContact CD2-CB 4.11Å; L38-F52 HydrophobicContact CD2-CD2 3.77Å; L38-F52 HydrophobicContact CD2-CG 4.22Å; L38-I57 HydrophobicContact CD2-CG1 4.3Å
39V97.9Very high96.9Very high0 Ų067.9 Ų67.90%036%0.361CS..Hα-helixtrans-85.9-25.4-173.2-58.50000113.7V35 H36 I57 Y59 Y66V35-V39 WeakPolarHBondContact O-CG2 3.39Å; V35-V39 PolarHBondContact O-N 3.09Å; H36-V39 PolarHBondContact O-N 3.2Å; V39-I57 HydrophobicContact CG1-CG2 4.18Å; V39-Y59 HydrophobicContact CB-CD1 4.45Å; V39-Y59 HydrophobicContact CB-CD2 3.9Å; V39-Y59 HydrophobicContact CB-CE1 4.47Å; V39-Y59 HydrophobicContact CB-CE2 3.91Å; V39-Y59 HydrophobicContact CB-CG 4.18Å; V39-Y59 HydrophobicContact CG1-CD1 3.8Å; V39-Y59 HydrophobicContact CG1-CD2 4.01Å; V39-Y59 HydrophobicContact CG1-CE1 4.1Å; V39-Y59 HydrophobicContact CG1-CE2 4.3Å; V39-Y59 HydrophobicContact CG1-CG 3.75Å; V39-Y66 HydrophobicContact CB-CD1 4.22Å; V39-Y66 HydrophobicContact CG2-CD1 3.63Å; V39-Y66 HydrophobicContact CG2-CE1 4.25Å; V39-Y66 HydrophobicContact CG2-CG 4.02Å
40T95.9Very high96.9Very high43 Ų4364.2 Ų64.226%0.26435%0.345SS..Hα-helixtrans-76.7-30-174.849.30000114.1H36 A37 R42 Y66H36-T40 WeakPolarHBondContact NE2-CG2 3.44Å; H36-T40 WeakPolarHBondContact O-CB 3.4Å; H36-T40 VanDerWaalsContact O-CG2 3.25Å; H36-T40 WeakPolarHBondContact O-CG2 3.43Å; H36-T40 PolarHBondContact O-N 2.81Å; H36-T40 VanDerWaalsContact O-N 3.07Å; H36-T40 PolarHBondContact O-OG1 2.85Å; A37-T40 PolarHBondContact O-OG1 2.95Å; T40-R42 VanDerWaalsContact C-N 3.25Å; T40-R42 PolarHBondContact O-N 3.17Å; T40-Y66 HydrophobicContact CG2-CD2 4.37Å; T40-Y66 HydrophobicContact CG2-CE1 4.3Å; T40-Y66 HydrophobicContact CG2-CE2 3.84Å
41V95.5Very high96.8Very high121 Ų12166.6 Ų66.673%0.73336%0.358SS*.THydrogen-bonded Turntrans-79.3-7.8178.4-59.50000113.4A37A37-V41 WeakPolarHBondContact O-CG2 3.34Å
42R95.9Very high96.8Very high52 Ų5267.1 Ų67.120%0.19636%0.36CS..  trans-86.5135.4-176.5-64.4172.267.190.2-9.5111.2L38 T40 H46 T47 F49 Y59L38-R42 VanDerWaalsContact O-CD 3.23Å; L38-R42 WeakPolarHBondContact O-CD 3.37Å; L38-R42 WeakPolarHBondContact O-CG 3.47Å; T40-R42 VanDerWaalsContact C-N 3.25Å; T40-R42 PolarHBondContact O-N 3.17Å; R42-H46 HydrophobicContact CB-CB 4.28Å; R42-T47 PolarHBondContact NH2-O 2.98Å; R42-F49 PolarHBondContact NH2-O 2.86Å; R42-F49 VanDerWaalsContact NH2-O 3.17Å; R42-Y59 WeakPolarHBondContact CB-OH 3.21Å; R42-Y59 WeakPolarHBondContact CD-OH 3.39Å; R42-Y59 PolarHBondContact NE-OH 3.06Å; R42-Y59 VanDerWaalsContact NE-OH 3.08Å
43D90.7Very high96.7Very high84 Ų8472.2 Ų72.245%0.44938%0.378SS..  trans-94.1179.1178.172.120.7000112.9K45 H46D43-K45 PolarHBondContact O-N 3.07Å; D43-K45 WeakPolarHBondContact OD1-CA 3.42Å; D43-K45 VanDerWaalsContact OD1-CB 3.3Å; D43-K45 WeakPolarHBondContact OD1-CB 3.42Å; D43-K45 PolarHBondContact OD1-N 3.33Å; D43-H46 PolarHBondContact N-ND1 3.14Å; D43-H46 WeakPolarHBondContact O-CB 3.35Å; D43-H46 PolarHBondContact O-N 2.91Å; D43-H46 IonicContact OD1-CE1 3.02Å; D43-H46 PolarHBondContact OD1-CE1 3.18Å; D43-H46 IonicContact OD1-CG 2.87Å; D43-H46 PolarHBondContact OD1-N 2.79Å; D43-H46 IonicContact OD1-ND1 3.81Å; D43-H46 PolarHBondContact OD1-ND1 3.07Å
44A89.3Confident96.6Very high111 Ų11173.4 Ų73.492%0.91739%0.388SS*.THydrogen-bonded Turntrans-68.2-10.2-178.300000114.9H46A44-H46 VanDerWaalsContact C-N 3.34Å
45K94Very high96.6Very high192 Ų19272 Ų7284%0.83538%0.381SS*.THydrogen-bonded Turntrans-83.2-18.5175.6-59.6177.7179.5175.90111.8D43D43-K45 PolarHBondContact O-N 3.07Å; D43-K45 WeakPolarHBondContact OD1-CA 3.42Å; D43-K45 VanDerWaalsContact OD1-CB 3.3Å; D43-K45 WeakPolarHBondContact OD1-CB 3.42Å; D43-K45 PolarHBondContact OD1-N 3.33Å
46H96.1Very high96.6Very high92 Ų9273.7 Ų73.743%0.42639%0.389SS..SBendtrans-77.4148.9176.4-66.381.3000110.7R42 D43 A44R42-H46 HydrophobicContact CB-CB 4.28Å; D43-H46 PolarHBondContact N-ND1 3.14Å; D43-H46 WeakPolarHBondContact O-CB 3.35Å; D43-H46 PolarHBondContact O-N 2.91Å; D43-H46 IonicContact OD1-CE1 3.02Å; D43-H46 PolarHBondContact OD1-CE1 3.18Å; D43-H46 IonicContact OD1-CG 2.87Å; D43-H46 PolarHBondContact OD1-N 2.79Å; D43-H46 IonicContact OD1-ND1 3.81Å; D43-H46 PolarHBondContact OD1-ND1 3.07Å; A44-H46 VanDerWaalsContact C-N 3.34Å
47T97.2Very high96.6Very high85 Ų8572.3 Ų72.352%0.52138%0.382SS..  trans-70.7160.5171.963.60000110.8R42 F49R42-T47 PolarHBondContact NH2-O 2.98Å; T47-F49 PolarHBondContact O-N 3.35Å; T47-F49 PolarHBondContact OG1-O 2.81Å; T47-F49 VanDerWaalsContact OG1-O 3.09Å
48N98.3Very high96.6Very high54 Ų5469.6 Ų69.629%0.28936%0.36SS..SBendtrans-68.65.2172.5-66.6101000114.2V58 Y59 L81N48-V58 WeakPolarHBondContact O-CA 3.47Å; N48-Y59 VanDerWaalsContact CB-O 3.28Å; N48-Y59 WeakPolarHBondContact CB-O 3.26Å; N48-Y59 PolarHBondContact ND2-O 2.74Å; N48-Y59 WeakPolarHBondContact O-CD1 3.39Å; N48-Y59 PolarHBondContact O-N 3.19Å; N48-L81 HydrophobicContact CB-CD1 3.87Å; N48-L81 HydrophobicContact CB-CD2 3.99Å
49F98.5Very high96.6Very high55 Ų5568 Ų6824%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-123.1134.2-174.7-46.1-49.8000109.8R42 T47 K56 I57 V58 S77 L78 L81R42-F49 PolarHBondContact NH2-O 2.86Å; R42-F49 VanDerWaalsContact NH2-O 3.17Å; T47-F49 PolarHBondContact O-N 3.35Å; T47-F49 PolarHBondContact OG1-O 2.81Å; T47-F49 VanDerWaalsContact OG1-O 3.09Å; F49-K56 HydrophobicContact CB-CD 4.38Å; F49-I57 WeakPolarHBondContact CA-O 3.14Å; F49-V58 HydrophobicContact CD1-CB 4.25Å; F49-V58 HydrophobicContact CD1-CG1 3.88Å; F49-V58 HydrophobicContact CD1-CG2 3.85Å; F49-V58 HydrophobicContact CE1-CB 4.5Å; F49-V58 HydrophobicContact CE1-CG1 3.71Å; F49-V58 HydrophobicContact CE1-CG2 4.2Å; F49-S77 VanDerWaalsContact CE1-O 3.31Å; F49-S77 WeakPolarHBondContact CE1-O 3.34Å; F49-L78 HydrophobicContact CE2-CD2 4.3Å; F49-L78 HydrophobicContact CZ-CD2 3.86Å; F49-L78 HydrophobicContact CZ-CG 4.25Å; F49-L81 HydrophobicContact CE1-CB 4.13Å; F49-L81 HydrophobicContact CE1-CD2 4.2Å; F49-L81 HydrophobicContact CZ-CB 4.47Å; F49-L81 HydrophobicContact CZ-CD2 4.03Å
50V98.3Very high96.7Very high18 Ų1871.2 Ų71.211%0.10936%0.363CS..EExtended strand (participates in β ladder)trans-143.3130.3175.761.60000109.8L38 K56 I57L38-V50 HydrophobicContact CD1-CG2 3.93Å; L38-V50 HydrophobicContact CD2-CB 4.42Å; L38-V50 HydrophobicContact CD2-CG1 3.54Å; L38-V50 HydrophobicContact CD2-CG2 3.97Å; L38-V50 HydrophobicContact CG-CG1 4.02Å; L38-V50 HydrophobicContact CG-CG2 4.09Å; V50-K56 CarbonylContact O-C 3.36Å; V50-K56 WeakPolarHBondContact O-CA 3.45Å; V50-I57 HydrophobicContact CG1-CB 3.7Å; V50-I57 HydrophobicContact CG1-CG1 4.4Å; V50-I57 HydrophobicContact CG1-CG2 4.37Å; V50-I57 PolarHBondContact N-O 2.92Å; V50-I57 PolarHBondContact O-N 2.76Å
51E97.7Very high96.7Very high147 Ų14775 Ų7569%0.68737%0.372SS*.EExtended strand (participates in β ladder)trans-65.3136.7172-67.7-176.1-179.200109.5L73E51-L73 HydrophobicContact CG-CD1 4.04Å
52F98.1Very high96.8Very high16 Ų1671.8 Ų71.87%0.0735%0.347CS..EExtended strand (participates in β ladder)trans-146.9108.3-174.6175.9-108.5000109.5F4 L31 E34 V35 L38 N54 F55 I57F4-F52 HydrophobicContact CZ-CE1 4.46Å; L31-F52 HydrophobicContact CD2-CE1 3.69Å; L31-F52 HydrophobicContact CD2-CZ 3.73Å; E34-F52 HydrophobicContact CB-CE2 3.88Å; E34-F52 HydrophobicContact CB-CZ 3.96Å; E34-F52 WeakPolarHBondContact OE2-CE2 3.35Å; E34-F52 VanDerWaalsContact OE2-CZ 3.3Å; E34-F52 WeakPolarHBondContact OE2-CZ 3.49Å; V35-F52 HydrophobicContact CG2-CE1 4.11Å; V35-F52 HydrophobicContact CG2-CZ 4.13Å; L38-F52 HydrophobicContact CD2-CB 4.11Å; L38-F52 HydrophobicContact CD2-CD2 3.77Å; L38-F52 HydrophobicContact CD2-CG 4.22Å; F52-N54 PolarHBondContact O-N 3.37Å; F52-F55 CarbonylContact C-O 3.52Å; F52-F55 PolarHBondContact N-O 3.06Å; F52-F55 CarbonylContact O-C 3.59Å; F52-F55 WeakPolarHBondContact O-CA 3.26Å; F52-F55 WeakPolarHBondContact O-CB 3.33Å; F52-F55 PolarHBondContact O-N 2.75Å; F52-F55 VanDerWaalsContact O-O 3.1Å; F52-I57 HydrophobicContact CB-CD1 4.37Å; F52-I57 HydrophobicContact CB-CG1 3.68Å; F52-I57 HydrophobicContact CD1-CD1 3.87Å; F52-I57 HydrophobicContact CD1-CG1 4.04Å; F52-I57 HydrophobicContact CG-CD1 4.27Å; F52-I57 HydrophobicContact CG-CG1 3.91Å
53R96Very high96.8Very high123 Ų12373.4 Ų73.446%0.46437%0.371SS..THydrogen-bonded Turntrans53.6-127.2-171.3-54.4178.6174.2-159.7-1.3109.6E27 E34 F55E27-R53 IonicContact OE1-NH1 3.58Å; E34-R53 IonicContact OE1-CZ 3.89Å; E34-R53 IonicContact OE1-NH2 4Å; E34-R53 PolarHBondContact OE1-NH2 3.4Å; E34-R53 IonicContact OE2-CZ 3.85Å; E34-R53 IonicContact OE2-NE 3.33Å; E34-R53 PolarHBondContact OE2-NE 3.11Å; E34-R53 IonicContact OE2-NH2 2.74Å; E34-R53 PolarHBondContact OE2-NH2 2.64Å; R53-F55 VanDerWaalsContact C-N 3.27Å
54N96.4Very high97Very high141 Ų14170.3 Ų70.375%0.75436%0.359SS*.THydrogen-bonded Turntrans-90.512.9176-60.9-32.8000113.2F52F52-N54 PolarHBondContact O-N 3.37Å
55F98.3Very high97.4Very high44 Ų4465.7 Ų65.719%0.19332%0.319CS..EExtended strand (participates in β ladder)trans-127.1-174.7-173.5-57.9-63.7000110.4R3 F52 R53 C70 I71R3-F55 HydrophobicContact CG-CD1 3.9Å; R3-F55 HydrophobicContact CG-CE1 3.76Å; R3-F55 HydrophobicContact CG-CG 4.45Å; R3-F55 HydrophobicContact CG-CZ 4.19Å; F52-F55 CarbonylContact C-O 3.52Å; F52-F55 PolarHBondContact N-O 3.06Å; F52-F55 CarbonylContact O-C 3.59Å; F52-F55 WeakPolarHBondContact O-CA 3.26Å; F52-F55 WeakPolarHBondContact O-CB 3.33Å; F52-F55 PolarHBondContact O-N 2.75Å; F52-F55 VanDerWaalsContact O-O 3.1Å; R53-F55 VanDerWaalsContact C-N 3.27Å; F55-C70 WeakPolarHBondContact CB-SG 3.28Å; F55-I71 WeakPolarHBondContact CA-O 3.33Å; F55-I71 WeakPolarHBondContact CB-O 3.47Å
56K98.6Very high97.6Very high36 Ų3657.2 Ų57.216%0.15728%0.282CS..EExtended strand (participates in β ladder)trans-133.1133174.5-175.2-175.1-71158.60109.2F49 V50 C70 I71 L73 S77F49-K56 HydrophobicContact CB-CD 4.38Å; V50-K56 CarbonylContact O-C 3.36Å; V50-K56 WeakPolarHBondContact O-CA 3.45Å; K56-C70 WeakPolarHBondContact O-CA 3.11Å; K56-I71 HydrophobicContact CB-CG1 4.13Å; K56-I71 PolarHBondContact N-O 3.02Å; K56-I71 WeakPolarHBondContact O-CG1 3.3Å; K56-I71 PolarHBondContact O-N 2.76Å; K56-L73 HydrophobicContact CB-CD1 4.44Å; K56-L73 PolarHBondContact NZ-O 2.76Å; K56-S77 WeakPolarHBondContact CD-OG 3.27Å; K56-S77 PolarHBondContact NZ-OG 2.84Å; K56-S77 VanDerWaalsContact NZ-OG 3.1Å
57I98.9Very high97.7Very high0 Ų053.4 Ų53.40%026%0.264CS..EExtended strand (participates in β ladder)trans-89.2122.7168.1-56.4-59.3000108.4F4 V35 L38 V39 F49 V50 F52 Y59 C68 M69 C70F4-I57 HydrophobicContact CE2-CD1 4.25Å; F4-I57 HydrophobicContact CZ-CD1 4.14Å; V35-I57 HydrophobicContact CG1-CG2 4.49Å; V35-I57 HydrophobicContact CG2-CD1 3.86Å; V35-I57 HydrophobicContact CG2-CG1 4.31Å; L38-I57 HydrophobicContact CD2-CG1 4.3Å; V39-I57 HydrophobicContact CG1-CG2 4.18Å; F49-I57 WeakPolarHBondContact CA-O 3.14Å; V50-I57 HydrophobicContact CG1-CB 3.7Å; V50-I57 HydrophobicContact CG1-CG1 4.4Å; V50-I57 HydrophobicContact CG1-CG2 4.37Å; V50-I57 PolarHBondContact N-O 2.92Å; V50-I57 PolarHBondContact O-N 2.76Å; F52-I57 HydrophobicContact CB-CD1 4.37Å; F52-I57 HydrophobicContact CB-CG1 3.68Å; F52-I57 HydrophobicContact CD1-CD1 3.87Å; F52-I57 HydrophobicContact CD1-CG1 4.04Å; F52-I57 HydrophobicContact CG-CD1 4.27Å; F52-I57 HydrophobicContact CG-CG1 3.91Å; I57-Y59 HydrophobicContact CG2-CD1 4.45Å; I57-C68 HydrophobicContact CG2-CB 4.15Å; I57-M69 WeakPolarHBondContact CA-O 3.47Å; I57-C70 HydrophobicContact CD1-CB 3.56Å
58V98.9Very high97.8Very high0 Ų049.4 Ų49.40%024%0.24CC..EExtended strand (participates in β ladder)trans-101124.4164.8-177.80000107.4N48 F49 C68 M69 I71 L81 I84N48-V58 WeakPolarHBondContact O-CA 3.47Å; F49-V58 HydrophobicContact CD1-CB 4.25Å; F49-V58 HydrophobicContact CD1-CG1 3.88Å; F49-V58 HydrophobicContact CD1-CG2 3.85Å; F49-V58 HydrophobicContact CE1-CB 4.5Å; F49-V58 HydrophobicContact CE1-CG1 3.71Å; F49-V58 HydrophobicContact CE1-CG2 4.2Å; V58-C68 CarbonylContact O-C 3.6Å; V58-C68 WeakPolarHBondContact O-CA 3.44Å; V58-M69 PolarHBondContact N-O 2.94Å; V58-M69 PolarHBondContact O-N 3.1Å; V58-I71 HydrophobicContact CG2-CD1 3.49Å; V58-I71 VanDerWaalsContact CG2-CD1 3.49Å; V58-I71 HydrophobicContact CG2-CG1 4.02Å; V58-L81 HydrophobicContact CG1-CB 3.85Å; V58-L81 HydrophobicContact CG1-CD1 4.23Å; V58-I84 HydrophobicContact CG1-CD1 4.16Å; V58-I84 WeakPolarHBondContact O-CD1 3.48Å
59Y98.8Very high97.8Very high15 Ų1546.9 Ų46.96%0.05923%0.226CC..EExtended strand (participates in β ladder)trans-142.4152-178.478.3-75.6000113.7V39 R42 N48 I57 Y66 F67 C68V39-Y59 HydrophobicContact CB-CD1 4.45Å; V39-Y59 HydrophobicContact CB-CD2 3.9Å; V39-Y59 HydrophobicContact CB-CE1 4.47Å; V39-Y59 HydrophobicContact CB-CE2 3.91Å; V39-Y59 HydrophobicContact CB-CG 4.18Å; V39-Y59 HydrophobicContact CG1-CD1 3.8Å; V39-Y59 HydrophobicContact CG1-CD2 4.01Å; V39-Y59 HydrophobicContact CG1-CE1 4.1Å; V39-Y59 HydrophobicContact CG1-CE2 4.3Å; V39-Y59 HydrophobicContact CG1-CG 3.75Å; R42-Y59 WeakPolarHBondContact CB-OH 3.21Å; R42-Y59 WeakPolarHBondContact CD-OH 3.39Å; R42-Y59 PolarHBondContact NE-OH 3.06Å; R42-Y59 VanDerWaalsContact NE-OH 3.08Å; N48-Y59 VanDerWaalsContact CB-O 3.28Å; N48-Y59 WeakPolarHBondContact CB-O 3.26Å; N48-Y59 PolarHBondContact ND2-O 2.74Å; N48-Y59 WeakPolarHBondContact O-CD1 3.39Å; N48-Y59 PolarHBondContact O-N 3.19Å; I57-Y59 HydrophobicContact CG2-CD1 4.45Å; Y59-Y66 HydrophobicContact CD2-CD1 4.29Å; Y59-Y66 HydrophobicContact CE2-CD1 4.44Å; Y59-F67 CarbonylContact C-O 3.56Å; Y59-F67 WeakPolarHBondContact CA-O 3.32Å; Y59-F67 WeakPolarHBondContact CB-O 3.47Å; Y59-C68 VanDerWaalsContact CB-SG 3.56Å
60R98.5Very high97.9Very high66 Ų6644.2 Ų44.225%0.24922%0.215CC..EExtended strand (participates in β ladder)trans-136.1138.9168.6-172.3175.7-101.5178.70.8110.2Y62 F67 L81 I84R60-Y62 HydrophobicContact CB-CE2 3.93Å; R60-Y62 WeakPolarHBondContact CD-OH 3.44Å; R60-Y62 HydrophobicContact CG-CD2 4.26Å; R60-Y62 HydrophobicContact CG-CE2 3.68Å; R60-Y62 PolarHBondContact NH1-OH 3.33Å; R60-F67 PolarHBondContact N-O 3.48Å; R60-F67 PolarHBondContact O-N 3.15Å; R60-L81 HydrophobicContact CB-CD1 4.05Å; R60-I84 HydrophobicContact CB-CG2 4.14Å
61R97.6Very high97.9Very high122 Ų12243.4 Ų43.446%0.4621%0.21SC..EExtended strand (participates in β ladder)trans-92.5126.1175.6179.9178.8166.9-173.7-5.1110A63 L65 Y66R61-A63 PolarHBondContact NE-O 2.64Å; R61-L65 CarbonylContact C-O 3.58Å; R61-L65 VanDerWaalsContact CA-O 3.3Å; R61-L65 WeakPolarHBondContact CA-O 3.42Å; R61-Y66 HydrophobicContact CB-CD1 4.33Å; R61-Y66 HydrophobicContact CB-CE1 4.38Å; R61-Y66 HydrophobicContact CG-CE1 4.34Å
62Y97.3Very high97.9Very high55 Ų5538.1 Ų38.122%0.21619%0.186CC..EExtended strand (participates in β ladder)trans-118.4111169.2-66.7-86000108.5R60 G64 L65 F67 I84 H85 V88R60-Y62 HydrophobicContact CB-CE2 3.93Å; R60-Y62 WeakPolarHBondContact CD-OH 3.44Å; R60-Y62 HydrophobicContact CG-CD2 4.26Å; R60-Y62 HydrophobicContact CG-CE2 3.68Å; R60-Y62 PolarHBondContact NH1-OH 3.33Å; Y62-G64 PolarHBondContact O-N 3.37Å; Y62-L65 PolarHBondContact N-O 2.81Å; Y62-L65 PolarHBondContact O-N 2.87Å; Y62-F67 AromaticContact CD2-CD2 3.7Å; Y62-F67 HydrophobicContact CD2-CD2 3.7Å; Y62-F67 AromaticContact CD2-CE2 3.98Å; Y62-F67 HydrophobicContact CD2-CE2 3.98Å; Y62-F67 HydrophobicContact CD2-CG 4.36Å; Y62-F67 HydrophobicContact CG-CE2 4.48Å; Y62-I84 HydrophobicContact CE2-CG2 4.18Å; Y62-H85 AromaticContact CZ-ND1 3.96Å; Y62-H85 WeakPolarHBondContact OH-CA 3.39Å; Y62-H85 PolarHBondContact OH-ND1 2.92Å; Y62-V88 HydrophobicContact CD1-CG1 4.12Å; Y62-V88 HydrophobicContact CD2-CG1 4.35Å; Y62-V88 HydrophobicContact CD2-CG2 3.84Å; Y62-V88 HydrophobicContact CE1-CG1 4.09Å; Y62-V88 HydrophobicContact CE2-CB 4.16Å; Y62-V88 HydrophobicContact CE2-CG1 4.31Å; Y62-V88 HydrophobicContact CE2-CG2 3.63Å; Y62-V88 HydrophobicContact CG-CG1 4.24Å; Y62-V88 HydrophobicContact CG-CG2 4.5Å
63A94.6Very high97.9Very high85 Ų8540.5 Ų40.570%0.70220%0.199SC*.THydrogen-bonded Turntrans52.2-104.4-174.100000114.2R10 R61R10-A63 PolarHBondContact NH2-O 2.92Å; R61-A63 PolarHBondContact NE-O 2.64Å
64G94.9Very high98Very high19 Ų1943 Ų4320%0.19622%0.218CC..THydrogen-bonded Turntrans-96.9-3.6179.400000114.7N9 R10 Y62N9-G64 CarbonylContact C-O 3.57Å; N9-G64 WeakPolarHBondContact CA-O 3.4Å; R10-G64 WeakPolarHBondContact CG-O 3.41Å; R10-G64 PolarHBondContact N-O 3.47Å; R10-G64 VanDerWaalsContact N-O 3.07Å; Y62-G64 PolarHBondContact O-N 3.37Å
65L98.4Very high98Very high14 Ų1438.4 Ų38.47%0.07319%0.194CC..EExtended strand (participates in β ladder)trans-110.7142.5-172.5-64.6177.3000111.6I7 Q8 N9 R15 R61 Y62 F67 E100 L103I7-L65 HydrophobicContact CG2-CB 4.46Å; Q8-L65 CarbonylContact O-C 3.59Å; Q8-L65 WeakPolarHBondContact O-CA 3.21Å; N9-L65 HydrophobicContact CB-CD2 3.72Å; R15-L65 HydrophobicContact CG-CD2 4.02Å; R61-L65 CarbonylContact C-O 3.58Å; R61-L65 VanDerWaalsContact CA-O 3.3Å; R61-L65 WeakPolarHBondContact CA-O 3.42Å; Y62-L65 PolarHBondContact N-O 2.81Å; Y62-L65 PolarHBondContact O-N 2.87Å; L65-F67 HydrophobicContact CB-CD2 4.19Å; L65-F67 HydrophobicContact CB-CE2 3.66Å; L65-F67 HydrophobicContact CD1-CE2 4.14Å; L65-F67 HydrophobicContact CD1-CZ 4.28Å; L65-E100 HydrophobicContact CD1-CB 4.19Å; L65-E100 HydrophobicContact CD1-CG 4.44Å; L65-E100 HydrophobicContact CD2-CB 4.49Å; L65-E100 HydrophobicContact CD2-CG 3.99Å; L65-L103 HydrophobicContact CD1-CD2 4.01Å
66Y98.7Very high98Very high14 Ų1441.1 Ų41.16%0.05521%0.21CC..EExtended strand (participates in β ladder)trans-109116172.6-63.5-98.8000107.7I7 Q8 R10 V39 T40 Y59 R61I7-Y66 WeakPolarHBondContact CA-O 3.31Å; Q8-Y66 PolarHBondContact N-O 3.25Å; Q8-Y66 PolarHBondContact O-N 3.48Å; R10-Y66 HydrophobicContact CG-CE2 4.16Å; V39-Y66 HydrophobicContact CB-CD1 4.22Å; V39-Y66 HydrophobicContact CG2-CD1 3.63Å; V39-Y66 HydrophobicContact CG2-CE1 4.25Å; V39-Y66 HydrophobicContact CG2-CG 4.02Å; T40-Y66 HydrophobicContact CG2-CD2 4.37Å; T40-Y66 HydrophobicContact CG2-CE1 4.3Å; T40-Y66 HydrophobicContact CG2-CE2 3.84Å; Y59-Y66 HydrophobicContact CD2-CD1 4.29Å; Y59-Y66 HydrophobicContact CE2-CD1 4.44Å; R61-Y66 HydrophobicContact CB-CD1 4.33Å; R61-Y66 HydrophobicContact CB-CE1 4.38Å; R61-Y66 HydrophobicContact CG-CE1 4.34Å
67F98.8Very high98Very high12 Ų1240 Ų405%0.05321%0.207CC..EExtended strand (participates in β ladder)trans-98.6117.3174.3-69.5-110.4000107.3I7 Y59 R60 Y62 L65 I84 F87 V88 L91 L103I7-F67 HydrophobicContact CD1-CD1 3.71Å; I7-F67 HydrophobicContact CD1-CE1 3.56Å; I7-F67 HydrophobicContact CD1-CZ 4.43Å; I7-F67 HydrophobicContact CG1-CD1 3.73Å; I7-F67 HydrophobicContact CG1-CE1 4.02Å; I7-F67 HydrophobicContact CG1-CG 4.31Å; I7-F67 HydrophobicContact CG2-CD1 4.24Å; I7-F67 HydrophobicContact CG2-CD2 4.35Å; I7-F67 HydrophobicContact CG2-CE1 4.12Å; I7-F67 HydrophobicContact CG2-CE2 4.22Å; I7-F67 HydrophobicContact CG2-CG 4.36Å; I7-F67 HydrophobicContact CG2-CZ 4.1Å; Y59-F67 CarbonylContact C-O 3.56Å; Y59-F67 WeakPolarHBondContact CA-O 3.32Å; Y59-F67 WeakPolarHBondContact CB-O 3.47Å; R60-F67 PolarHBondContact N-O 3.48Å; R60-F67 PolarHBondContact O-N 3.15Å; Y62-F67 AromaticContact CD2-CD2 3.7Å; Y62-F67 HydrophobicContact CD2-CD2 3.7Å; Y62-F67 AromaticContact CD2-CE2 3.98Å; Y62-F67 HydrophobicContact CD2-CE2 3.98Å; Y62-F67 HydrophobicContact CD2-CG 4.36Å; Y62-F67 HydrophobicContact CG-CE2 4.48Å; L65-F67 HydrophobicContact CB-CD2 4.19Å; L65-F67 HydrophobicContact CB-CE2 3.66Å; L65-F67 HydrophobicContact CD1-CE2 4.14Å; L65-F67 HydrophobicContact CD1-CZ 4.28Å; F67-I84 HydrophobicContact CB-CG2 3.65Å; F67-I84 HydrophobicContact CG-CG2 4.43Å; F67-F87 HydrophobicContact CD1-CD1 4.14Å; F67-F87 HydrophobicContact CD1-CE1 4.09Å; F67-F87 HydrophobicContact CE1-CD1 4.2Å; F67-F87 AromaticContact CE1-CE1 3.93Å; F67-F87 HydrophobicContact CE1-CE1 3.93Å; F67-V88 HydrophobicContact CD1-CG2 3.81Å; F67-V88 HydrophobicContact CD2-CG2 4.4Å; F67-V88 HydrophobicContact CE1-CG2 3.56Å; F67-V88 HydrophobicContact CE2-CG2 4.19Å; F67-V88 HydrophobicContact CG-CG2 4.23Å; F67-V88 HydrophobicContact CZ-CG2 3.78Å; F67-L91 HydrophobicContact CE1-CD1 4.38Å; F67-L103 HydrophobicContact CZ-CD2 4.39Å
68C98.9Very high98Very high1 Ų145.1 Ų45.11%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-126.2135.3-171.8-59.40000110.2I5 L6 V35 I57 V58 Y59I5-C68 WeakPolarHBondContact CA-O 3.3Å; L6-C68 HydrophobicContact CB-CB 4.37Å; L6-C68 PolarHBondContact N-O 2.91Å; L6-C68 PolarHBondContact O-N 3.3Å; V35-C68 HydrophobicContact CG1-CB 4.13Å; I57-C68 HydrophobicContact CG2-CB 4.15Å; V58-C68 CarbonylContact O-C 3.6Å; V58-C68 WeakPolarHBondContact O-CA 3.44Å; Y59-C68 VanDerWaalsContact CB-SG 3.56Å
69M98.9Very high98Very high1 Ų147 Ų471%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-120.1129.5166.3-66.3-175.6176.900108.8I2 I5 I57 V58 I71 Y80 I84 F118I2-M69 HydrophobicContact CD1-SD 4.13Å; I5-M69 HydrophobicContact CD1-CE 4.2Å; I5-M69 HydrophobicContact CG1-CG 4.21Å; I5-M69 HydrophobicContact CG2-CG 4.39Å; I57-M69 WeakPolarHBondContact CA-O 3.47Å; V58-M69 PolarHBondContact N-O 2.94Å; V58-M69 PolarHBondContact O-N 3.1Å; M69-I71 HydrophobicContact CB-CG2 4.28Å; M69-Y80 HydrophobicContact SD-CD1 4.07Å; M69-I84 HydrophobicContact CB-CD1 4.37Å; M69-I84 HydrophobicContact CE-CG1 3.72Å; M69-I84 HydrophobicContact CG-CD1 3.96Å; M69-I84 HydrophobicContact CG-CG1 3.88Å; M69-I84 HydrophobicContact SD-CD1 4.32Å; M69-I84 HydrophobicContact SD-CG1 3.81Å; M69-F118 HydrophobicContact CE-CD1 4.35Å; M69-F118 HydrophobicContact CE-CE1 3.63Å; M69-F118 HydrophobicContact CE-CE2 3.84Å; M69-F118 HydrophobicContact CE-CZ 3.33Å
70C98.9Very high98Very high0 Ų046.9 Ų46.90%025%0.249CC..EExtended strand (participates in β ladder)trans-91.8123.8168.5-176.60000108.8I2 R3 F4 F55 K56 I57I2-C70 CarbonylContact C-O 3.57Å; I2-C70 WeakPolarHBondContact CA-O 3.45Å; R3-C70 HydrophobicContact CB-CB 4.29Å; R3-C70 PolarHBondContact N-O 2.87Å; F4-C70 HydrophobicContact CD1-CB 3.68Å; F4-C70 HydrophobicContact CD2-CB 3.66Å; F4-C70 HydrophobicContact CE1-CB 3.38Å; F4-C70 VanDerWaalsContact CE1-SG 3.55Å; F4-C70 HydrophobicContact CE2-CB 3.37Å; F4-C70 HydrophobicContact CG-CB 3.84Å; F4-C70 HydrophobicContact CZ-CB 3.23Å; F4-C70 PolarHBondContact O-N 2.82Å; F55-C70 WeakPolarHBondContact CB-SG 3.28Å; K56-C70 WeakPolarHBondContact O-CA 3.11Å; I57-C70 HydrophobicContact CD1-CB 3.56Å
71I98.7Very high98Very high0 Ų044.2 Ų44.20%024%0.24CC..EExtended strand (participates in β ladder)trans-128.1164.2-175.366.5170.7000111M1 I2 F55 K56 V58 M69 D75 Y80M1-I71 WeakPolarHBondContact O-CA 3.35Å; I2-I71 HydrophobicContact CG1-CG2 4.35Å; F55-I71 WeakPolarHBondContact CA-O 3.33Å; F55-I71 WeakPolarHBondContact CB-O 3.47Å; K56-I71 HydrophobicContact CB-CG1 4.13Å; K56-I71 PolarHBondContact N-O 3.02Å; K56-I71 WeakPolarHBondContact O-CG1 3.3Å; K56-I71 PolarHBondContact O-N 2.76Å; V58-I71 HydrophobicContact CG2-CD1 3.49Å; V58-I71 VanDerWaalsContact CG2-CD1 3.49Å; V58-I71 HydrophobicContact CG2-CG1 4.02Å; M69-I71 HydrophobicContact CB-CG2 4.28Å; I71-D75 HydrophobicContact CD1-CB 3.93Å; I71-D75 HydrophobicContact CG1-CB 4.46Å; I71-Y80 HydrophobicContact CB-CD2 4.33Å; I71-Y80 HydrophobicContact CB-CE2 4.25Å; I71-Y80 HydrophobicContact CD1-CD2 3.47Å; I71-Y80 VanDerWaalsContact CD1-CD2 3.47Å; I71-Y80 HydrophobicContact CD1-CE2 3.91Å; I71-Y80 HydrophobicContact CD1-CG 4.22Å; I71-Y80 HydrophobicContact CG1-CD2 4.48Å; I71-Y80 HydrophobicContact CG2-CD1 3.91Å; I71-Y80 HydrophobicContact CG2-CD2 3.79Å; I71-Y80 HydrophobicContact CG2-CE1 4.09Å; I71-Y80 HydrophobicContact CG2-CE2 3.95Å; I71-Y80 HydrophobicContact CG2-CG 3.73Å
72D98.4Very high98Very high36 Ų3643.2 Ų43.219%0.19324%0.24CC..EExtended strand (participates in β ladder)trans-60.1147.1171.1-66.8-42.5000112M1 R3 M74 D75M1-D72 WeakPolarHBondContact CB-OD2 3.26Å; M1-D72 PolarHBondContact N-OD2 2.65Å; M1-D72 PolarHBondContact O-N 3.35Å; M1-D72 VanDerWaalsContact O-N 3.11Å; R3-D72 IonicContact CZ-OD1 3.55Å; R3-D72 IonicContact CZ-OD2 3.87Å; R3-D72 IonicContact NE-OD1 2.82Å; R3-D72 PolarHBondContact NE-OD1 2.97Å; R3-D72 IonicContact NE-OD2 2.74Å; R3-D72 IonicContact NH2-OD1 3.85Å; R3-D72 PolarHBondContact NH2-OD1 2.83Å; R3-D72 IonicContact NH2-OD2 3.43Å; R3-D72 PolarHBondContact NH2-OD2 3.02Å; D72-M74 VanDerWaalsContact C-N 3.26Å; D72-M74 PolarHBondContact O-N 2.82Å; D72-D75 WeakPolarHBondContact O-CB 3.46Å; D72-D75 PolarHBondContact O-N 2.94Å
73L97.5Very high98.1Very high67 Ų6741.1 Ų41.135%0.35123%0.234SC..THydrogen-bonded Turntrans-59.1-37.6-171.1-170.566.3000113.1E51 K56E51-L73 HydrophobicContact CG-CD1 4.04Å; K56-L73 HydrophobicContact CB-CD1 4.44Å; K56-L73 PolarHBondContact NZ-O 2.76Å
74M97.3Very high98.3Very high175 Ų17537.2 Ų37.286%0.86220%0.201SC*.THydrogen-bonded Turntrans-89.3-1.8-174.4-57.4-56.9-76.500113.9D72D72-M74 VanDerWaalsContact C-N 3.26Å; D72-M74 PolarHBondContact O-N 2.82Å
75D98Very high98.5Very high44 Ų4438.9 Ų38.924%0.23520%0.204CC..SBendtrans-71.9155.7-178.8-95.426.5000112.8M1 I71 D72 S77 Y80M1-D75 VanDerWaalsContact N-CG 3.32Å; M1-D75 PolarHBondContact N-OD1 2.67Å; M1-D75 PolarHBondContact N-OD2 3.04Å; I71-D75 HydrophobicContact CD1-CB 3.93Å; I71-D75 HydrophobicContact CG1-CB 4.46Å; D72-D75 WeakPolarHBondContact O-CB 3.46Å; D72-D75 PolarHBondContact O-N 2.94Å; D75-S77 PolarHBondContact O-N 2.9Å; D75-S77 PolarHBondContact O-OG 2.92Å; D75-Y80 HydrophobicContact CB-CE2 3.81Å; D75-Y80 VanDerWaalsContact OD2-CE2 3.26Å; D75-Y80 WeakPolarHBondContact OD2-CE2 3.47Å; D75-Y80 PolarHBondContact OD2-OH 3.01Å
76N97.8Very high98.5Very high102 Ų10239.3 Ų39.355%0.54521%0.206SC..  trans-6896.6176.1-176.2-8.8000111.3L78 A79 Y80N76-L78 VanDerWaalsContact C-N 3.25Å; N76-L78 PolarHBondContact O-N 2.64Å; N76-L78 PolarHBondContact OD1-N 3.13Å; N76-L78 VanDerWaalsContact OD1-N 3.15Å; N76-A79 HydrophobicContact CB-CB 4.15Å; N76-A79 WeakPolarHBondContact O-CB 3.29Å; N76-A79 PolarHBondContact O-N 3.46Å; N76-A79 VanDerWaalsContact O-N 3.13Å; N76-A79 PolarHBondContact OD1-N 2.92Å; N76-Y80 VanDerWaalsContact O-CD2 3.23Å; N76-Y80 WeakPolarHBondContact O-CD2 3.42Å
77S98.3Very high98.5Very high13 Ų1338.9 Ų38.99%0.09120%0.204CC..Hα-helixtrans-64.4-28.8-175.2-45.10000113.2F49 K56 D75 Y80 L81F49-S77 VanDerWaalsContact CE1-O 3.31Å; F49-S77 WeakPolarHBondContact CE1-O 3.34Å; K56-S77 WeakPolarHBondContact CD-OG 3.27Å; K56-S77 PolarHBondContact NZ-OG 2.84Å; K56-S77 VanDerWaalsContact NZ-OG 3.1Å; D75-S77 PolarHBondContact O-N 2.9Å; D75-S77 PolarHBondContact O-OG 2.92Å; S77-Y80 PolarHBondContact O-N 3.17Å; S77-L81 PolarHBondContact O-N 3.47Å; S77-L81 VanDerWaalsContact O-N 3.1Å
78L98.4Very high98.5Very high107 Ų10739.1 Ų39.156%0.5621%0.207SC*.Hα-helixtrans-68.3-38.1176.2-70.6167.4000111.5F49 N76 Y80 L81 E82F49-L78 HydrophobicContact CE2-CD2 4.3Å; F49-L78 HydrophobicContact CZ-CD2 3.86Å; F49-L78 HydrophobicContact CZ-CG 4.25Å; N76-L78 VanDerWaalsContact C-N 3.25Å; N76-L78 PolarHBondContact O-N 2.64Å; N76-L78 PolarHBondContact OD1-N 3.13Å; N76-L78 VanDerWaalsContact OD1-N 3.15Å; L78-Y80 VanDerWaalsContact C-N 3.29Å; L78-Y80 PolarHBondContact O-N 3.32Å; L78-L81 PolarHBondContact O-N 2.91Å; L78-E82 WeakPolarHBondContact O-CG 3.34Å; L78-E82 PolarHBondContact O-N 3.13Å
79A98.5Very high98.5Very high39 Ų3942.9 Ų42.932%0.32223%0.225SC..Hα-helixtrans-59.6-41.3177.500000111.7N76 A83N76-A79 HydrophobicContact CB-CB 4.15Å; N76-A79 WeakPolarHBondContact O-CB 3.29Å; N76-A79 PolarHBondContact O-N 3.46Å; N76-A79 VanDerWaalsContact O-N 3.13Å; N76-A79 PolarHBondContact OD1-N 2.92Å; A79-A83 WeakPolarHBondContact O-CB 3.23Å; A79-A83 PolarHBondContact O-N 2.98Å
80Y98.8Very high98.5Very high13 Ų1342.9 Ų42.95%0.05122%0.224CC..Hα-helixtrans-74.5-30.6177.1-64.9-74.8000113.4I2 M69 I71 D75 N76 S77 L78 E82 A83 I84 I123I2-Y80 HydrophobicContact CD1-CD1 4Å; I2-Y80 HydrophobicContact CD1-CE1 3.71Å; I2-Y80 HydrophobicContact CG1-CD1 3.74Å; I2-Y80 HydrophobicContact CG1-CE1 3.23Å; M69-Y80 HydrophobicContact SD-CD1 4.07Å; I71-Y80 HydrophobicContact CB-CD2 4.33Å; I71-Y80 HydrophobicContact CB-CE2 4.25Å; I71-Y80 HydrophobicContact CD1-CD2 3.47Å; I71-Y80 VanDerWaalsContact CD1-CD2 3.47Å; I71-Y80 HydrophobicContact CD1-CE2 3.91Å; I71-Y80 HydrophobicContact CD1-CG 4.22Å; I71-Y80 HydrophobicContact CG1-CD2 4.48Å; I71-Y80 HydrophobicContact CG2-CD1 3.91Å; I71-Y80 HydrophobicContact CG2-CD2 3.79Å; I71-Y80 HydrophobicContact CG2-CE1 4.09Å; I71-Y80 HydrophobicContact CG2-CE2 3.95Å; I71-Y80 HydrophobicContact CG2-CG 3.73Å; D75-Y80 HydrophobicContact CB-CE2 3.81Å; D75-Y80 VanDerWaalsContact OD2-CE2 3.26Å; D75-Y80 WeakPolarHBondContact OD2-CE2 3.47Å; D75-Y80 PolarHBondContact OD2-OH 3.01Å; N76-Y80 VanDerWaalsContact O-CD2 3.23Å; N76-Y80 WeakPolarHBondContact O-CD2 3.42Å; S77-Y80 PolarHBondContact O-N 3.17Å; L78-Y80 VanDerWaalsContact C-N 3.29Å; L78-Y80 PolarHBondContact O-N 3.32Å; Y80-E82 VanDerWaalsContact C-N 3.35Å; Y80-A83 PolarHBondContact O-N 2.93Å; Y80-I84 WeakPolarHBondContact O-CG1 3.19Å; Y80-I84 PolarHBondContact O-N 3.36Å; Y80-I123 HydrophobicContact CD1-CD1 4.22Å; Y80-I123 HydrophobicContact CE1-CD1 4.17Å; Y80-I123 HydrophobicContact CE1-CG1 4.23Å
81L98.8Very high98.5Very high10 Ų1042.9 Ų42.95%0.05223%0.225CC..Hα-helixtrans-64.3-43.3173-176.160.6000111.1N48 F49 V58 R60 S77 L78 I84 H85N48-L81 HydrophobicContact CB-CD1 3.87Å; N48-L81 HydrophobicContact CB-CD2 3.99Å; F49-L81 HydrophobicContact CE1-CB 4.13Å; F49-L81 HydrophobicContact CE1-CD2 4.2Å; F49-L81 HydrophobicContact CZ-CB 4.47Å; F49-L81 HydrophobicContact CZ-CD2 4.03Å; V58-L81 HydrophobicContact CG1-CB 3.85Å; V58-L81 HydrophobicContact CG1-CD1 4.23Å; R60-L81 HydrophobicContact CB-CD1 4.05Å; S77-L81 PolarHBondContact O-N 3.47Å; S77-L81 VanDerWaalsContact O-N 3.1Å; L78-L81 PolarHBondContact O-N 2.91Å; L81-I84 PolarHBondContact O-N 3.34Å; L81-H85 PolarHBondContact O-N 3.26Å; L81-H85 VanDerWaalsContact O-N 3.11Å
82E98.7Very high98.4Very high101 Ų10146.3 Ų46.347%0.47224%0.243SC..Hα-helixtrans-68.6-35174.2-66.1-50.6127.100111.7L78 Y80 I84 H85 N86L78-E82 WeakPolarHBondContact O-CG 3.34Å; L78-E82 PolarHBondContact O-N 3.13Å; Y80-E82 VanDerWaalsContact C-N 3.35Å; E82-I84 PolarHBondContact O-N 3.08Å; E82-H85 WeakPolarHBondContact O-CB 3.35Å; E82-H85 PolarHBondContact O-N 3.13Å; E82-H85 VanDerWaalsContact O-N 3.14Å; E82-N86 WeakPolarHBondContact O-CB 3.43Å; E82-N86 PolarHBondContact O-N 3.11Å
83A98.8Very high98.4Very high10 Ų1049.1 Ų49.18%0.08326%0.255CS..Hα-helixtrans-63.7-39.9173.800000112.6A79 Y80 H85 F87 F118 I123A79-A83 WeakPolarHBondContact O-CB 3.23Å; A79-A83 PolarHBondContact O-N 2.98Å; Y80-A83 PolarHBondContact O-N 2.93Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-H85 PolarHBondContact O-N 3.38Å; A83-F87 VanDerWaalsContact O-CB 3.32Å; A83-F87 WeakPolarHBondContact O-CB 3.49Å; A83-F87 PolarHBondContact O-N 2.86Å; A83-F118 HydrophobicContact CB-CE1 3.92Å; A83-F118 HydrophobicContact CB-CZ 4.21Å; A83-I123 HydrophobicContact CB-CD1 3.84Å; A83-I123 HydrophobicContact CB-CG1 4.38Å
84I98.9Very high98.4Very high3 Ų347.6 Ų47.62%0.01525%0.247CC..Hα-helixtrans-60.4-42.6171.2-71.2167000110.4V58 R60 Y62 F67 M69 Y80 L81 E82 F87 V88V58-I84 HydrophobicContact CG1-CD1 4.16Å; V58-I84 WeakPolarHBondContact O-CD1 3.48Å; R60-I84 HydrophobicContact CB-CG2 4.14Å; Y62-I84 HydrophobicContact CE2-CG2 4.18Å; F67-I84 HydrophobicContact CB-CG2 3.65Å; F67-I84 HydrophobicContact CG-CG2 4.43Å; M69-I84 HydrophobicContact CB-CD1 4.37Å; M69-I84 HydrophobicContact CE-CG1 3.72Å; M69-I84 HydrophobicContact CG-CD1 3.96Å; M69-I84 HydrophobicContact CG-CG1 3.88Å; M69-I84 HydrophobicContact SD-CD1 4.32Å; M69-I84 HydrophobicContact SD-CG1 3.81Å; Y80-I84 WeakPolarHBondContact O-CG1 3.19Å; Y80-I84 PolarHBondContact O-N 3.36Å; L81-I84 PolarHBondContact O-N 3.34Å; E82-I84 PolarHBondContact O-N 3.08Å; I84-F87 PolarHBondContact O-N 3.34Å; I84-V88 WeakPolarHBondContact O-CG2 3.32Å; I84-V88 PolarHBondContact O-N 3.43Å; I84-V88 VanDerWaalsContact O-N 3.13Å
85H98.8Very high98.3Very high54 Ų5440.9 Ų40.925%0.2521%0.213CC..Hα-helixtrans-64.4-51.3179-174.242000112.3Y62 L81 E82 A83 F87 V88 E89Y62-H85 AromaticContact CZ-ND1 3.96Å; Y62-H85 WeakPolarHBondContact OH-CA 3.39Å; Y62-H85 PolarHBondContact OH-ND1 2.92Å; L81-H85 PolarHBondContact O-N 3.26Å; L81-H85 VanDerWaalsContact O-N 3.11Å; E82-H85 WeakPolarHBondContact O-CB 3.35Å; E82-H85 PolarHBondContact O-N 3.13Å; E82-H85 VanDerWaalsContact O-N 3.14Å; A83-H85 VanDerWaalsContact C-N 3.31Å; A83-H85 PolarHBondContact O-N 3.38Å; H85-F87 VanDerWaalsContact C-N 3.26Å; H85-F87 PolarHBondContact O-N 3.48Å; H85-V88 PolarHBondContact O-N 3.41Å; H85-E89 IonicContact CE1-OE1 3.94Å; H85-E89 IonicContact NE2-OE1 3.4Å; H85-E89 PolarHBondContact O-N 3.49Å
86N98.8Very high98.2Very high24 Ų2445.9 Ų45.913%0.12824%0.235CC..Hα-helixtrans-57-40.8176.9-170.140.5000111.6E82 V88 E89 V90 M117 T126 Q128E82-N86 WeakPolarHBondContact O-CB 3.43Å; E82-N86 PolarHBondContact O-N 3.11Å; N86-V88 VanDerWaalsContact C-N 3.35Å; N86-V88 PolarHBondContact O-N 3.07Å; N86-E89 PolarHBondContact O-N 3.14Å; N86-V90 WeakPolarHBondContact O-CG2 3.42Å; N86-V90 PolarHBondContact O-N 3.4Å; N86-M117 HydrophobicContact CB-CE 4.21Å; N86-M117 WeakPolarHBondContact ND2-CE 3.36Å; N86-T126 PolarHBondContact ND2-O 3.31Å; N86-Q128 WeakPolarHBondContact OD1-CG 3.33Å; N86-Q128 PolarHBondContact OD1-NE2 3.17Å
87F98.8Very high97.9Very high4 Ų447.5 Ų47.52%0.01824%0.243CC..Hα-helixtrans-60.2-43.7175.4172.9-117.5000112.2I7 F67 A83 I84 H85 E89 V90 L91 V110 V113 V114 M117 F118I7-F87 HydrophobicContact CD1-CE1 3.82Å; I7-F87 HydrophobicContact CD1-CZ 4.38Å; F67-F87 HydrophobicContact CD1-CD1 4.14Å; F67-F87 HydrophobicContact CD1-CE1 4.09Å; F67-F87 HydrophobicContact CE1-CD1 4.2Å; F67-F87 AromaticContact CE1-CE1 3.93Å; F67-F87 HydrophobicContact CE1-CE1 3.93Å; A83-F87 VanDerWaalsContact O-CB 3.32Å; A83-F87 WeakPolarHBondContact O-CB 3.49Å; A83-F87 PolarHBondContact O-N 2.86Å; I84-F87 PolarHBondContact O-N 3.34Å; H85-F87 VanDerWaalsContact C-N 3.26Å; H85-F87 PolarHBondContact O-N 3.48Å; F87-E89 VanDerWaalsContact C-N 3.34Å; F87-V90 PolarHBondContact O-N 3.19Å; F87-L91 HydrophobicContact CD1-CD1 4.2Å; F87-L91 HydrophobicContact CD2-CG 4.42Å; F87-L91 HydrophobicContact CE1-CD1 3.67Å; F87-L91 HydrophobicContact CE1-CG 4.5Å; F87-L91 HydrophobicContact CE2-CD1 4.07Å; F87-L91 HydrophobicContact CE2-CD2 4.13Å; F87-L91 HydrophobicContact CE2-CG 4.07Å; F87-L91 HydrophobicContact CZ-CD1 3.61Å; F87-L91 HydrophobicContact CZ-CD2 4.26Å; F87-L91 HydrophobicContact CZ-CG 4.12Å; F87-L91 WeakPolarHBondContact O-CG 3.24Å; F87-L91 PolarHBondContact O-N 2.98Å; F87-V110 HydrophobicContact CZ-CG1 3.98Å; F87-V113 HydrophobicContact CD2-CG1 3.72Å; F87-V113 HydrophobicContact CE2-CB 4.13Å; F87-V113 HydrophobicContact CE2-CG1 3.6Å; F87-V114 HydrophobicContact CE1-CG2 4.48Å; F87-V114 HydrophobicContact CE2-CG2 3.55Å; F87-V114 HydrophobicContact CZ-CG2 3.53Å; F87-M117 HydrophobicContact CB-CE 3.96Å; F87-M117 HydrophobicContact CB-SD 4.07Å; F87-M117 HydrophobicContact CD2-SD 3.75Å; F87-M117 HydrophobicContact CG-SD 4.41Å; F87-F118 HydrophobicContact CB-CE2 4.22Å; F87-F118 HydrophobicContact CB-CZ 4.31Å; F87-F118 HydrophobicContact CD2-CE2 4.25Å; F87-F118 HydrophobicContact CG-CE2 4.24Å
88V98.7Very high97.8Very high17 Ų1748.7 Ų48.710%0.10325%0.25CC..Hα-helixtrans-66.6-36.2176.6172.60000111.9Y62 F67 I84 H85 N86 L91 N92Y62-V88 HydrophobicContact CD1-CG1 4.12Å; Y62-V88 HydrophobicContact CD2-CG1 4.35Å; Y62-V88 HydrophobicContact CD2-CG2 3.84Å; Y62-V88 HydrophobicContact CE1-CG1 4.09Å; Y62-V88 HydrophobicContact CE2-CB 4.16Å; Y62-V88 HydrophobicContact CE2-CG1 4.31Å; Y62-V88 HydrophobicContact CE2-CG2 3.63Å; Y62-V88 HydrophobicContact CG-CG1 4.24Å; Y62-V88 HydrophobicContact CG-CG2 4.5Å; F67-V88 HydrophobicContact CD1-CG2 3.81Å; F67-V88 HydrophobicContact CD2-CG2 4.4Å; F67-V88 HydrophobicContact CE1-CG2 3.56Å; F67-V88 HydrophobicContact CE2-CG2 4.19Å; F67-V88 HydrophobicContact CG-CG2 4.23Å; F67-V88 HydrophobicContact CZ-CG2 3.78Å; I84-V88 WeakPolarHBondContact O-CG2 3.32Å; I84-V88 PolarHBondContact O-N 3.43Å; I84-V88 VanDerWaalsContact O-N 3.13Å; H85-V88 PolarHBondContact O-N 3.41Å; N86-V88 VanDerWaalsContact C-N 3.35Å; N86-V88 PolarHBondContact O-N 3.07Å; V88-L91 PolarHBondContact O-N 3.46Å; V88-N92 WeakPolarHBondContact O-CB 3.47Å; V88-N92 PolarHBondContact O-N 3.19Å
89E98.7Very high97.8Very high81 Ų8146.3 Ų46.338%0.37924%0.242SC..Hα-helixtrans-64.1-44.6174.1-68.4-169.5131.800112.1H85 N86 F87 L91 N92 E93 Q128H85-E89 IonicContact CE1-OE1 3.94Å; H85-E89 IonicContact NE2-OE1 3.4Å; H85-E89 PolarHBondContact O-N 3.49Å; N86-E89 PolarHBondContact O-N 3.14Å; F87-E89 VanDerWaalsContact C-N 3.34Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 3.24Å; E89-N92 WeakPolarHBondContact O-CB 3.15Å; E89-N92 PolarHBondContact O-N 2.93Å; E89-N92 VanDerWaalsContact O-N 3.07Å; E89-E93 PolarHBondContact O-N 3.17Å; E89-Q128 PolarHBondContact OE2-NE2 3.23Å
90V98.7Very high97.7Very high0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-58.8-44.1174.5174.10000111.2N86 F87 N92 E93 L94 V113 M117 Q128 V131 L132N86-V90 WeakPolarHBondContact O-CG2 3.42Å; N86-V90 PolarHBondContact O-N 3.4Å; F87-V90 PolarHBondContact O-N 3.19Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 3.3Å; V90-E93 PolarHBondContact O-N 2.9Å; V90-L94 WeakPolarHBondContact O-CB 3.02Å; V90-L94 PolarHBondContact O-N 2.93Å; V90-V113 HydrophobicContact CB-CG1 4.3Å; V90-V113 HydrophobicContact CG1-CG1 3.59Å; V90-V113 HydrophobicContact CG1-CG2 4.37Å; V90-M117 HydrophobicContact CB-SD 4.22Å; V90-M117 HydrophobicContact CG1-SD 4.49Å; V90-M117 HydrophobicContact CG2-CE 4.4Å; V90-M117 HydrophobicContact CG2-SD 3.97Å; V90-Q128 HydrophobicContact CG2-CB 3.86Å; V90-Q128 HydrophobicContact CG2-CG 3.67Å; V90-V131 HydrophobicContact CG1-CB 4.41Å; V90-V131 HydrophobicContact CG1-CG1 3.82Å; V90-L132 HydrophobicContact CG1-CD2 3.94Å; V90-L132 HydrophobicContact CG1-CG 4.16Å
91L98.5Very high97.7Very high1 Ų151.7 Ų51.71%0.00526%0.263CS..Hα-helixtrans-62.5-40.1175.3-67.1176.9000111.7F67 F87 V88 E89 E93 L94 F95 V98 V110 V113F67-L91 HydrophobicContact CE1-CD1 4.38Å; F87-L91 HydrophobicContact CD1-CD1 4.2Å; F87-L91 HydrophobicContact CD2-CG 4.42Å; F87-L91 HydrophobicContact CE1-CD1 3.67Å; F87-L91 HydrophobicContact CE1-CG 4.5Å; F87-L91 HydrophobicContact CE2-CD1 4.07Å; F87-L91 HydrophobicContact CE2-CD2 4.13Å; F87-L91 HydrophobicContact CE2-CG 4.07Å; F87-L91 HydrophobicContact CZ-CD1 3.61Å; F87-L91 HydrophobicContact CZ-CD2 4.26Å; F87-L91 HydrophobicContact CZ-CG 4.12Å; F87-L91 WeakPolarHBondContact O-CG 3.24Å; F87-L91 PolarHBondContact O-N 2.98Å; V88-L91 PolarHBondContact O-N 3.46Å; E89-L91 VanDerWaalsContact C-N 3.32Å; E89-L91 PolarHBondContact O-N 3.24Å; L91-E93 VanDerWaalsContact C-N 3.34Å; L91-E93 PolarHBondContact O-N 2.85Å; L91-L94 PolarHBondContact O-N 3.46Å; L91-F95 HydrophobicContact CB-CD2 4.46Å; L91-F95 HydrophobicContact CD2-CD2 4.48Å; L91-F95 HydrophobicContact CD2-CE2 3.95Å; L91-F95 VanDerWaalsContact O-CD2 3.29Å; L91-F95 WeakPolarHBondContact O-CD2 3.3Å; L91-F95 PolarHBondContact O-N 3.06Å; L91-V98 HydrophobicContact CB-CB 4.45Å; L91-V98 HydrophobicContact CB-CG1 4.3Å; L91-V98 HydrophobicContact CB-CG2 4.2Å; L91-V110 HydrophobicContact CD2-CB 4.46Å; L91-V110 HydrophobicContact CD2-CG1 4.04Å; L91-V110 HydrophobicContact CD2-CG2 4.18Å; L91-V113 HydrophobicContact CD2-CB 4.38Å; L91-V113 HydrophobicContact CD2-CG1 4.37Å; L91-V113 HydrophobicContact CD2-CG2 4.26Å
92N98Very high97.6Very high72 Ų7252.9 Ų52.939%0.38527%0.27SS..Hα-helixtrans-66.3-36.4179.5-170.163.8000112.7V88 E89 V90 H96 N97 V98V88-N92 WeakPolarHBondContact O-CB 3.47Å; V88-N92 PolarHBondContact O-N 3.19Å; E89-N92 WeakPolarHBondContact O-CB 3.15Å; E89-N92 PolarHBondContact O-N 2.93Å; E89-N92 VanDerWaalsContact O-N 3.07Å; V90-N92 VanDerWaalsContact C-N 3.31Å; V90-N92 PolarHBondContact O-N 3.3Å; N92-H96 WeakPolarHBondContact O-CA 3.44Å; N92-H96 PolarHBondContact O-N 3.36Å; N92-N97 PolarHBondContact O-N 3.46Å; N92-N97 WeakPolarHBondContact OD1-CA 3.49Å; N92-V98 HydrophobicContact CB-CG1 3.96Å; N92-V98 PolarHBondContact OD1-N 2.73Å
93E97.6Very high97.6Very high94 Ų9448.3 Ų48.344%0.43925%0.248SC..Hα-helixtrans-70.4-41.8173-169.6174.7164.700111.4E89 V90 L91 H96 L132E89-E93 PolarHBondContact O-N 3.17Å; V90-E93 PolarHBondContact O-N 2.9Å; L91-E93 VanDerWaalsContact C-N 3.34Å; L91-E93 PolarHBondContact O-N 2.85Å; E93-H96 PolarHBondContact O-CE1 3.44Å; E93-H96 PolarHBondContact O-ND1 3.39Å; E93-L132 HydrophobicContact CB-CD1 3.86Å; E93-L132 HydrophobicContact CG-CD1 3.53Å; E93-L132 VanDerWaalsContact OE1-CD1 3.25Å; E93-L132 WeakPolarHBondContact OE1-CD1 3.21Å; E93-L132 VanDerWaalsContact OE2-CD1 3.23Å; E93-L132 WeakPolarHBondContact OE2-CD1 3.42Å
94L96.5Very high97.6Very high36 Ų3650.3 Ų50.319%0.18826%0.259CS..Hα-helixtrans-63.3-42.3179.6-178.362.3000113.3V90 L91 V113 L132 V135V90-L94 WeakPolarHBondContact O-CB 3.02Å; V90-L94 PolarHBondContact O-N 2.93Å; L91-L94 PolarHBondContact O-N 3.46Å; L94-V113 HydrophobicContact CD2-CG2 3.69Å; L94-L132 HydrophobicContact CB-CD2 3.73Å; L94-L132 HydrophobicContact CD1-CD2 4.1Å; L94-L132 HydrophobicContact CG-CD2 4.45Å; L94-V135 HydrophobicContact CD1-CG1 4.26Å; L94-V135 HydrophobicContact CD2-CG1 4.24Å
95F96.5Very high97.5Very high33 Ų3357 Ų5715%0.14529%0.289CS..Hα-helixtrans-102.2-3.6-174-65.2-67.8000114.2L91 V98 D102 N106 K109 V110L91-F95 HydrophobicContact CB-CD2 4.46Å; L91-F95 HydrophobicContact CD2-CD2 4.48Å; L91-F95 HydrophobicContact CD2-CE2 3.95Å; L91-F95 VanDerWaalsContact O-CD2 3.29Å; L91-F95 WeakPolarHBondContact O-CD2 3.3Å; L91-F95 PolarHBondContact O-N 3.06Å; F95-V98 HydrophobicContact CB-CB 4.02Å; F95-V98 HydrophobicContact CB-CG2 4.22Å; F95-V98 HydrophobicContact CD2-CB 4.25Å; F95-V98 HydrophobicContact CD2-CG2 3.72Å; F95-V98 HydrophobicContact CG-CG2 4.29Å; F95-D102 HydrophobicContact CB-CB 4.49Å; F95-D102 HydrophobicContact CD1-CB 3.98Å; F95-D102 HydrophobicContact CD2-CB 4.15Å; F95-D102 HydrophobicContact CE1-CB 4.22Å; F95-D102 HydrophobicContact CE2-CB 4.38Å; F95-D102 HydrophobicContact CG-CB 3.95Å; F95-D102 HydrophobicContact CZ-CB 4.42Å; F95-N106 HydrophobicContact CE1-CB 3.66Å; F95-N106 HydrophobicContact CZ-CB 3.83Å; F95-K109 HydrophobicContact CZ-CB 4.23Å; F95-V110 HydrophobicContact CE2-CG2 3.95Å; F95-V110 HydrophobicContact CZ-CG2 4.03Å
96H95Very high97.3Very high150 Ų15056.2 Ų56.269%0.69429%0.287SS*.THydrogen-bonded Turntrans51.178.3-176.7-58.1-58.3000113.4N92 E93N92-H96 WeakPolarHBondContact O-CA 3.44Å; N92-H96 PolarHBondContact O-N 3.36Å; E93-H96 PolarHBondContact O-CE1 3.44Å; E93-H96 PolarHBondContact O-ND1 3.39Å
97N92.5Very high97.2Very high136 Ų13660.6 Ų60.673%0.72730%0.304SS*.SBendtrans76.565.7-168.1-48.1-67.5000112.1N92 C99N92-N97 PolarHBondContact O-N 3.46Å; N92-N97 WeakPolarHBondContact OD1-CA 3.49Å; N97-C99 PolarHBondContact O-N 3.28Å
98V96.6Very high97Very high37 Ų3765 Ų6522%0.22432%0.322CS..  trans-55.4135.5-179.664.60000111.7L91 N92 F95 D102 L103L91-V98 HydrophobicContact CB-CB 4.45Å; L91-V98 HydrophobicContact CB-CG1 4.3Å; L91-V98 HydrophobicContact CB-CG2 4.2Å; N92-V98 HydrophobicContact CB-CG1 3.96Å; N92-V98 PolarHBondContact OD1-N 2.73Å; F95-V98 HydrophobicContact CB-CB 4.02Å; F95-V98 HydrophobicContact CB-CG2 4.22Å; F95-V98 HydrophobicContact CD2-CB 4.25Å; F95-V98 HydrophobicContact CD2-CG2 3.72Å; F95-V98 HydrophobicContact CG-CG2 4.29Å; V98-D102 HydrophobicContact CG2-CB 4.17Å; V98-L103 HydrophobicContact CG2-CD1 3.83Å
99C96.9Very high96.8Very high58 Ų5867 Ų6739%0.39233%0.329SS..  trans-126.5170.6172.977.30000111.8N97 L101 D102 L103N97-C99 PolarHBondContact O-N 3.28Å; C99-L101 PolarHBondContact O-N 2.81Å; C99-D102 PolarHBondContact N-OD2 2.99Å; C99-D102 WeakPolarHBondContact O-CB 3.4Å; C99-D102 PolarHBondContact O-N 2.98Å; C99-D102 VanDerWaalsContact O-N 3.07Å; C99-D102 PolarHBondContact SG-OD2 3.26Å; C99-L103 WeakPolarHBondContact O-CD1 3.43Å
100E97.9Very high96.8Very high58 Ų5863.2 Ų63.227%0.27131%0.312SS..Hα-helixtrans-57.5-33-179.4179.1172.9-176.900113.1N9 R15 L65 D102 L103 V104N9-E100 WeakPolarHBondContact CB-OE1 3.27Å; N9-E100 PolarHBondContact ND2-OE1 2.77Å; R15-E100 HydrophobicContact CG-CG 4.47Å; R15-E100 IonicContact CZ-OE1 2.84Å; R15-E100 IonicContact NE-OE1 2.71Å; R15-E100 PolarHBondContact NE-OE1 3.27Å; R15-E100 IonicContact NH2-OE1 3.2Å; R15-E100 PolarHBondContact NH2-OE1 3.5Å; L65-E100 HydrophobicContact CD1-CB 4.19Å; L65-E100 HydrophobicContact CD1-CG 4.44Å; L65-E100 HydrophobicContact CD2-CB 4.49Å; L65-E100 HydrophobicContact CD2-CG 3.99Å; E100-D102 VanDerWaalsContact C-N 3.28Å; E100-D102 PolarHBondContact O-N 3.4Å; E100-L103 PolarHBondContact O-N 3.47Å; E100-V104 WeakPolarHBondContact O-CG2 3.48Å; E100-V104 PolarHBondContact O-N 2.84Å
101L97.5Very high96.7Very high107 Ų10766.3 Ų66.356%0.5632%0.324SS*.Hα-helixtrans-65.9-31.8179.2-64.6171.7000111.8C99 L103 V104 F105C99-L101 PolarHBondContact O-N 2.81Å; L101-L103 VanDerWaalsContact C-N 3.3Å; L101-L103 PolarHBondContact O-N 3.14Å; L101-V104 PolarHBondContact O-N 3.09Å; L101-V104 VanDerWaalsContact O-N 3.08Å; L101-F105 HydrophobicContact CB-CD2 4.02Å; L101-F105 HydrophobicContact CB-CE2 4.1Å; L101-F105 HydrophobicContact CD2-CE2 3.86Å; L101-F105 HydrophobicContact CG-CE2 4.45Å; L101-F105 VanDerWaalsContact O-CD2 3.24Å; L101-F105 WeakPolarHBondContact O-CD2 3.48Å; L101-F105 PolarHBondContact O-N 3.26Å
102D97.8Very high96.6Very high34 Ų3468.1 Ų68.118%0.18234%0.336CS..Hα-helixtrans-64.1-38.6176.6-60.4-52.9000111.3F95 V98 C99 E100 V104 N106F95-D102 HydrophobicContact CB-CB 4.49Å; F95-D102 HydrophobicContact CD1-CB 3.98Å; F95-D102 HydrophobicContact CD2-CB 4.15Å; F95-D102 HydrophobicContact CE1-CB 4.22Å; F95-D102 HydrophobicContact CE2-CB 4.38Å; F95-D102 HydrophobicContact CG-CB 3.95Å; F95-D102 HydrophobicContact CZ-CB 4.42Å; V98-D102 HydrophobicContact CG2-CB 4.17Å; C99-D102 PolarHBondContact N-OD2 2.99Å; C99-D102 WeakPolarHBondContact O-CB 3.4Å; C99-D102 PolarHBondContact O-N 2.98Å; C99-D102 VanDerWaalsContact O-N 3.07Å; C99-D102 PolarHBondContact SG-OD2 3.26Å; E100-D102 VanDerWaalsContact C-N 3.28Å; E100-D102 PolarHBondContact O-N 3.4Å; D102-V104 PolarHBondContact O-N 3.15Å; D102-N106 WeakPolarHBondContact O-CA 3.44Å; D102-N106 VanDerWaalsContact O-CB 3.26Å; D102-N106 WeakPolarHBondContact O-CB 3.34Å; D102-N106 PolarHBondContact O-N 3.02Å
103L98.2Very high96.7Very high5 Ų564.7 Ų64.73%0.02632%0.318CS..Hα-helixtrans-66.3-27.8175.8-70.375.1000112.1I7 R15 L65 F67 V98 C99 E100 L101 F107 V110I7-L103 HydrophobicContact CD1-CD2 4.08Å; I7-L103 HydrophobicContact CG2-CD2 3.93Å; R15-L103 HydrophobicContact CB-CB 4.2Å; R15-L103 HydrophobicContact CB-CD2 4.15Å; L65-L103 HydrophobicContact CD1-CD2 4.01Å; F67-L103 HydrophobicContact CZ-CD2 4.39Å; V98-L103 HydrophobicContact CG2-CD1 3.83Å; C99-L103 WeakPolarHBondContact O-CD1 3.43Å; E100-L103 PolarHBondContact O-N 3.47Å; L101-L103 VanDerWaalsContact C-N 3.3Å; L101-L103 PolarHBondContact O-N 3.14Å; L103-F107 WeakPolarHBondContact O-CB 3.42Å; L103-V110 HydrophobicContact CG-CG2 4.48Å
104V98Very high96.7Very high52 Ų5260.2 Ų60.232%0.31530%0.297SS..Hα-helixtrans-82.2-50.3179.4177.20000111.4E100 L101 D102E100-V104 WeakPolarHBondContact O-CG2 3.48Å; E100-V104 PolarHBondContact O-N 2.84Å; L101-V104 PolarHBondContact O-N 3.09Å; L101-V104 VanDerWaalsContact O-N 3.08Å; D102-V104 PolarHBondContact O-N 3.15Å
105F97.2Very high96.8Very high144 Ų14461.1 Ų61.163%0.63230%0.302SS*.Hα-helixtrans-85.8-27.9-173-66.6-64.3000113.3L101L101-F105 HydrophobicContact CB-CD2 4.02Å; L101-F105 HydrophobicContact CB-CE2 4.1Å; L101-F105 HydrophobicContact CD2-CE2 3.86Å; L101-F105 HydrophobicContact CG-CE2 4.45Å; L101-F105 VanDerWaalsContact O-CD2 3.24Å; L101-F105 WeakPolarHBondContact O-CD2 3.48Å; L101-F105 PolarHBondContact O-N 3.26Å
106N95.4Very high96.8Very high38 Ų3860.3 Ų60.320%0.20330%0.299CS..THydrogen-bonded Turntrans-111.832.8-179.9-56.2-75.1000111.8F95 D102 Y108 K109 V110F95-N106 HydrophobicContact CE1-CB 3.66Å; F95-N106 HydrophobicContact CZ-CB 3.83Å; D102-N106 WeakPolarHBondContact O-CA 3.44Å; D102-N106 VanDerWaalsContact O-CB 3.26Å; D102-N106 WeakPolarHBondContact O-CB 3.34Å; D102-N106 PolarHBondContact O-N 3.02Å; N106-Y108 PolarHBondContact O-N 2.87Å; N106-Y108 VanDerWaalsContact O-N 3.14Å; N106-K109 HydrophobicContact CB-CB 4.43Å; N106-K109 HydrophobicContact CB-CD 4.44Å; N106-K109 WeakPolarHBondContact O-CB 3.44Å; N106-K109 PolarHBondContact O-N 3.45Å; N106-V110 PolarHBondContact O-N 2.95Å; N106-V110 VanDerWaalsContact O-N 3.15Å
107F95.6Very high97Very high115 Ų11553.3 Ų53.350%0.50427%0.266SS..Hα-helixtrans-52.9-40-174.770.3-89.5000112.4L103 K109 V110 Y111L103-F107 WeakPolarHBondContact O-CB 3.42Å; F107-K109 PolarHBondContact O-N 3.04Å; F107-V110 CarbonylContact O-C 3.48Å; F107-V110 WeakPolarHBondContact O-CB 3.32Å; F107-V110 PolarHBondContact O-N 2.95Å; F107-V110 VanDerWaalsContact O-N 3.09Å; F107-Y111 WeakPolarHBondContact O-CD2 3.34Å; F107-Y111 PolarHBondContact O-N 3.49Å
108Y94.4Very high97.3Very high96 Ų9646.9 Ų46.938%0.37623%0.232SC..Hα-helixtrans-58.6-43.717861.9-81000112.2N106 V110 Y111 S112N106-Y108 PolarHBondContact O-N 2.87Å; N106-Y108 VanDerWaalsContact O-N 3.14Å; Y108-V110 VanDerWaalsContact C-N 3.34Å; Y108-V110 PolarHBondContact O-N 3.03Å; Y108-Y111 PolarHBondContact O-N 3.38Å; Y108-S112 PolarHBondContact O-N 3.23Å; Y108-S112 PolarHBondContact O-OG 2.92Å; Y108-S112 VanDerWaalsContact O-OG 3.1Å
109K95.4Very high97.3Very high60 Ų6049.6 Ų49.626%0.26125%0.245SC..Hα-helixtrans-63.5-40.3174.1-65-173.6176.4175.90111.8F95 N106 F107 Y111 S112 V113F95-K109 HydrophobicContact CZ-CB 4.23Å; N106-K109 HydrophobicContact CB-CB 4.43Å; N106-K109 HydrophobicContact CB-CD 4.44Å; N106-K109 WeakPolarHBondContact O-CB 3.44Å; N106-K109 PolarHBondContact O-N 3.45Å; F107-K109 PolarHBondContact O-N 3.04Å; K109-Y111 VanDerWaalsContact C-N 3.33Å; K109-S112 WeakPolarHBondContact O-CB 3.36Å; K109-S112 PolarHBondContact O-N 3.44Å; K109-V113 WeakPolarHBondContact O-CG2 3.26Å; K109-V113 PolarHBondContact O-N 3.32Å
110V97.9Very high97.3Very high2 Ų250.1 Ų50.11%0.01225%0.253CS..Hα-helixtrans-63.2-41.5176.2-176.80000110.9L16 F87 L91 F95 L103 N106 F107 Y108 V113 V114L16-V110 HydrophobicContact CD1-CG1 3.59Å; F87-V110 HydrophobicContact CZ-CG1 3.98Å; L91-V110 HydrophobicContact CD2-CB 4.46Å; L91-V110 HydrophobicContact CD2-CG1 4.04Å; L91-V110 HydrophobicContact CD2-CG2 4.18Å; F95-V110 HydrophobicContact CE2-CG2 3.95Å; F95-V110 HydrophobicContact CZ-CG2 4.03Å; L103-V110 HydrophobicContact CG-CG2 4.48Å; N106-V110 PolarHBondContact O-N 2.95Å; N106-V110 VanDerWaalsContact O-N 3.15Å; F107-V110 CarbonylContact O-C 3.48Å; F107-V110 WeakPolarHBondContact O-CB 3.32Å; F107-V110 PolarHBondContact O-N 2.95Å; F107-V110 VanDerWaalsContact O-N 3.09Å; Y108-V110 VanDerWaalsContact C-N 3.34Å; Y108-V110 PolarHBondContact O-N 3.03Å; V110-V113 WeakPolarHBondContact O-CB 3.34Å; V110-V113 PolarHBondContact O-N 2.82Å; V110-V114 WeakPolarHBondContact O-CG2 3.4Å; V110-V114 PolarHBondContact O-N 3.3Å
111Y97.7Very high97.3Very high65 Ų6547.4 Ų47.426%0.25524%0.241SC..Hα-helixtrans-65.5-36.7174.4-89.4-92.7000112.2L16 A17 K18 F107 Y108 K109 V113 V114 D115L16-Y111 HydrophobicContact CD1-CD2 4.18Å; L16-Y111 HydrophobicContact CD1-CE2 4.03Å; L16-Y111 HydrophobicContact CG-CE1 4.46Å; L16-Y111 HydrophobicContact CG-CE2 3.91Å; A17-Y111 VanDerWaalsContact C-OH 3.32Å; A17-Y111 PolarHBondContact N-OH 2.84Å; A17-Y111 PolarHBondContact O-OH 2.84Å; K18-Y111 HydrophobicContact CD-CD1 4.37Å; K18-Y111 HydrophobicContact CD-CE1 4.16Å; F107-Y111 WeakPolarHBondContact O-CD2 3.34Å; F107-Y111 PolarHBondContact O-N 3.49Å; Y108-Y111 PolarHBondContact O-N 3.38Å; K109-Y111 VanDerWaalsContact C-N 3.33Å; Y111-V113 VanDerWaalsContact C-N 3.33Å; Y111-V113 PolarHBondContact O-N 2.94Å; Y111-V114 WeakPolarHBondContact O-CB 3.29Å; Y111-V114 PolarHBondContact O-N 3.23Å; Y111-D115 PolarHBondContact O-N 2.96Å
112S96.9Very high97.4Very high38 Ų3846.3 Ų46.327%0.26623%0.233SC..Hα-helixtrans-61.1-40.9172-56.50000112.1Y108 K109 D115 E116Y108-S112 PolarHBondContact O-N 3.23Å; Y108-S112 PolarHBondContact O-OG 2.92Å; Y108-S112 VanDerWaalsContact O-OG 3.1Å; K109-S112 WeakPolarHBondContact O-CB 3.36Å; K109-S112 PolarHBondContact O-N 3.44Å; S112-D115 PolarHBondContact O-N 3.43Å; S112-E116 WeakPolarHBondContact O-CG 3.49Å; S112-E116 PolarHBondContact O-N 3.28Å
113V98.5Very high97.4Very high0 Ų047.6 Ų47.60%024%0.239CC..Hα-helixtrans-62.6-44.8173177.90000110.6F87 V90 L91 L94 K109 V110 Y111 D115 E116 M117 V131 V135F87-V113 HydrophobicContact CD2-CG1 3.72Å; F87-V113 HydrophobicContact CE2-CB 4.13Å; F87-V113 HydrophobicContact CE2-CG1 3.6Å; V90-V113 HydrophobicContact CB-CG1 4.3Å; V90-V113 HydrophobicContact CG1-CG1 3.59Å; V90-V113 HydrophobicContact CG1-CG2 4.37Å; L91-V113 HydrophobicContact CD2-CB 4.38Å; L91-V113 HydrophobicContact CD2-CG1 4.37Å; L91-V113 HydrophobicContact CD2-CG2 4.26Å; L94-V113 HydrophobicContact CD2-CG2 3.69Å; K109-V113 WeakPolarHBondContact O-CG2 3.26Å; K109-V113 PolarHBondContact O-N 3.32Å; V110-V113 WeakPolarHBondContact O-CB 3.34Å; V110-V113 PolarHBondContact O-N 2.82Å; Y111-V113 VanDerWaalsContact C-N 3.33Å; Y111-V113 PolarHBondContact O-N 2.94Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 2.87Å; V113-E116 PolarHBondContact O-N 3.39Å; V113-M117 HydrophobicContact CG1-CG 4.34Å; V113-M117 HydrophobicContact CG1-SD 3.8Å; V113-M117 WeakPolarHBondContact O-CB 3.43Å; V113-M117 WeakPolarHBondContact O-CG 3.47Å; V113-M117 PolarHBondContact O-N 2.92Å; V113-V131 HydrophobicContact CG1-CG1 4.07Å; V113-V135 HydrophobicContact CG2-CG1 4.39Å; V113-V135 HydrophobicContact CG2-CG2 3.93Å
114V98.6Very high97.4Very high0 Ų053.5 Ų53.50%026%0.261CS..Hα-helixtrans-58.8-44.9176.8167.70000111.3I5 L16 K18 F87 V110 Y111 E116 M117 F118I5-V114 HydrophobicContact CD1-CG1 4.2Å; L16-V114 HydrophobicContact CD1-CG2 3.74Å; L16-V114 HydrophobicContact CD2-CG2 4.48Å; K18-V114 HydrophobicContact CB-CG1 4.39Å; K18-V114 HydrophobicContact CD-CG1 4.4Å; K18-V114 HydrophobicContact CG-CG1 4.13Å; F87-V114 HydrophobicContact CE1-CG2 4.48Å; F87-V114 HydrophobicContact CE2-CG2 3.55Å; F87-V114 HydrophobicContact CZ-CG2 3.53Å; V110-V114 WeakPolarHBondContact O-CG2 3.4Å; V110-V114 PolarHBondContact O-N 3.3Å; Y111-V114 WeakPolarHBondContact O-CB 3.29Å; Y111-V114 PolarHBondContact O-N 3.23Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.4Å; V114-M117 PolarHBondContact O-N 3.06Å; V114-F118 HydrophobicContact CG1-CD2 4.22Å; V114-F118 WeakPolarHBondContact O-CA 3.35Å; V114-F118 WeakPolarHBondContact O-CB 3.45Å; V114-F118 PolarHBondContact O-N 3.1Å
115D97.6Very high97.4Very high56 Ų5653.1 Ų53.130%0.29926%0.256SS..Hα-helixtrans-73.4-24.5-176.4-71.5-14.6000113.2K18 Y111 S112 V113 R124K18-D115 WeakPolarHBondContact CE-OD1 3.25Å; K18-D115 IonicContact NZ-OD1 3.92Å; K18-D115 PolarHBondContact NZ-OD1 2.8Å; K18-D115 IonicContact NZ-OD2 2.89Å; K18-D115 PolarHBondContact NZ-OD2 3.43Å; Y111-D115 PolarHBondContact O-N 2.96Å; S112-D115 PolarHBondContact O-N 3.43Å; V113-D115 VanDerWaalsContact C-N 3.34Å; V113-D115 PolarHBondContact O-N 2.87Å; D115-R124 PolarHBondContact O-NH1 3.34Å
116E98Very high97.4Very high15 Ų1550.4 Ų50.47%0.0725%0.251CS..Hα-helixtrans-75.8-38.1169.7-74.3-56.2104.600112.3S112 V113 V114 R124 E125 V131 Q134 V135 Y138S112-E116 WeakPolarHBondContact O-CG 3.49Å; S112-E116 PolarHBondContact O-N 3.28Å; V113-E116 PolarHBondContact O-N 3.39Å; V114-E116 VanDerWaalsContact C-N 3.33Å; V114-E116 PolarHBondContact O-N 3.4Å; E116-R124 WeakPolarHBondContact O-CD 3.43Å; E116-R124 IonicContact OE1-CZ 2.65Å; E116-R124 IonicContact OE1-NH1 3.7Å; E116-R124 PolarHBondContact OE1-NH1 3.5Å; E116-R124 IonicContact OE1-NH2 3.47Å; E116-R124 IonicContact OE2-CZ 3.1Å; E116-R124 IonicContact OE2-NH1 2.64Å; E116-R124 IonicContact OE2-NH2 2.76Å; E116-E125 WeakPolarHBondContact O-CB 3.32Å; E116-E125 PolarHBondContact O-N 2.92Å; E116-V131 HydrophobicContact CB-CG1 4Å; E116-Q134 HydrophobicContact CG-CB 4.21Å; E116-V135 HydrophobicContact CG-CG2 4.42Å; E116-Y138 HydrophobicContact CG-CE2 4.15Å; E116-Y138 PolarHBondContact OE1-OH 2.92Å
117M98.7Very high97.6Very high3 Ų350.5 Ų50.52%0.01526%0.255CS..Hα-helixtrans-84.9-30-178.3-67.2-172.969.700114N86 F87 V90 V113 V114 R124 V131N86-M117 HydrophobicContact CB-CE 4.21Å; N86-M117 WeakPolarHBondContact ND2-CE 3.36Å; F87-M117 HydrophobicContact CB-CE 3.96Å; F87-M117 HydrophobicContact CB-SD 4.07Å; F87-M117 HydrophobicContact CD2-SD 3.75Å; F87-M117 HydrophobicContact CG-SD 4.41Å; V90-M117 HydrophobicContact CB-SD 4.22Å; V90-M117 HydrophobicContact CG1-SD 4.49Å; V90-M117 HydrophobicContact CG2-CE 4.4Å; V90-M117 HydrophobicContact CG2-SD 3.97Å; V113-M117 HydrophobicContact CG1-CG 4.34Å; V113-M117 HydrophobicContact CG1-SD 3.8Å; V113-M117 WeakPolarHBondContact O-CB 3.43Å; V113-M117 WeakPolarHBondContact O-CG 3.47Å; V113-M117 PolarHBondContact O-N 2.92Å; V114-M117 PolarHBondContact O-N 3.06Å; M117-R124 PolarHBondContact O-N 3.38Å; M117-V131 HydrophobicContact CG-CG1 3.98Å; M117-V131 HydrophobicContact CG-CG2 3.76Å; M117-V131 HydrophobicContact SD-CG1 4.46Å
118F98.7Very high97.7Very high2 Ų247.5 Ų47.51%0.00924%0.242CC..EExtended strand (participates in β ladder)trans-138.2119.1-171-50.6-70.3000111I2 I5 Y20 M69 A83 F87 V114 E122 I123I2-F118 HydrophobicContact CD1-CD1 3.74Å; I2-F118 HydrophobicContact CD1-CE1 4.32Å; I2-F118 HydrophobicContact CD1-CG 4.4Å; I5-F118 HydrophobicContact CD1-CB 4.23Å; I5-F118 HydrophobicContact CD1-CD2 3.78Å; I5-F118 HydrophobicContact CD1-CE2 4.34Å; I5-F118 HydrophobicContact CD1-CG 3.98Å; Y20-F118 WeakPolarHBondContact OH-CB 3.23Å; Y20-F118 PolarHBondContact OH-O 3.46Å; M69-F118 HydrophobicContact CE-CD1 4.35Å; M69-F118 HydrophobicContact CE-CE1 3.63Å; M69-F118 HydrophobicContact CE-CE2 3.84Å; M69-F118 HydrophobicContact CE-CZ 3.33Å; A83-F118 HydrophobicContact CB-CE1 3.92Å; A83-F118 HydrophobicContact CB-CZ 4.21Å; F87-F118 HydrophobicContact CB-CE2 4.22Å; F87-F118 HydrophobicContact CB-CZ 4.31Å; F87-F118 HydrophobicContact CD2-CE2 4.25Å; F87-F118 HydrophobicContact CG-CE2 4.24Å; V114-F118 HydrophobicContact CG1-CD2 4.22Å; V114-F118 WeakPolarHBondContact O-CA 3.35Å; V114-F118 WeakPolarHBondContact O-CB 3.45Å; V114-F118 PolarHBondContact O-N 3.1Å; F118-E122 CarbonylContact C-O 3.55Å; F118-E122 VanDerWaalsContact CA-O 3.3Å; F118-E122 WeakPolarHBondContact CA-O 3.36Å; F118-I123 HydrophobicContact CD1-CG1 4.28Å; F118-I123 HydrophobicContact CE1-CG1 4.19Å
119L97.5Very high97.9Very high93 Ų9347.8 Ų47.849%0.48725%0.254SS..EExtended strand (participates in β ladder)trans-136134.9-177.9-174.262.3000110.5G121 E122 R124L119-G121 PolarHBondContact O-N 2.87Å; L119-G121 VanDerWaalsContact O-N 3.13Å; L119-E122 PolarHBondContact N-O 3.04Å; L119-E122 PolarHBondContact O-N 2.85Å; L119-R124 HydrophobicContact CB-CB 4.22Å
120A96.8Very high98Very high70 Ų7050.6 Ų50.658%0.57927%0.267SS*.THydrogen-bonded Turntrans51.535.3179.900000113.9M1 E122M1-A120 WeakPolarHBondContact CE-O 3.42Å; A120-E122 VanDerWaalsContact C-N 3.28Å; A120-E122 PolarHBondContact O-N 3.46Å
121G97.8Very high98Very high0 Ų050.5 Ų50.50%027%0.266CS..THydrogen-bonded Turntrans78.36.4-178.700000114.7M1 I2 L119M1-G121 VanDerWaalsContact CG-O 3.26Å; M1-G121 WeakPolarHBondContact CG-O 3.42Å; I2-G121 VanDerWaalsContact CB-O 3.29Å; I2-G121 WeakPolarHBondContact CB-O 3.45Å; I2-G121 WeakPolarHBondContact CG1-O 3.48Å; I2-G121 PolarHBondContact N-O 2.74Å; I2-G121 WeakPolarHBondContact O-CA 3.48Å; L119-G121 PolarHBondContact O-N 2.87Å; L119-G121 VanDerWaalsContact O-N 3.13Å
122E98.1Very high98Very high85 Ų8548 Ų4840%0.39726%0.257SS..EExtended strand (participates in β ladder)trans-117.5155.3-178.7-63.1-59.6150.600111.5M1 F118 L119 A120 R124M1-E122 WeakPolarHBondContact CA-OE1 3.33Å; M1-E122 VanDerWaalsContact CB-OE1 3.27Å; M1-E122 WeakPolarHBondContact CB-OE1 3.41Å; M1-E122 HydrophobicContact CE-CG 4.15Å; M1-E122 VanDerWaalsContact CE-OE1 3.26Å; M1-E122 WeakPolarHBondContact CE-OE1 3.45Å; M1-E122 WeakPolarHBondContact CG-OE1 3.3Å; F118-E122 CarbonylContact C-O 3.55Å; F118-E122 VanDerWaalsContact CA-O 3.3Å; F118-E122 WeakPolarHBondContact CA-O 3.36Å; L119-E122 PolarHBondContact N-O 3.04Å; L119-E122 PolarHBondContact O-N 2.85Å; A120-E122 VanDerWaalsContact C-N 3.28Å; A120-E122 PolarHBondContact O-N 3.46Å; E122-R124 PolarHBondContact O-N 2.98Å
123I98.4Very high98Very high61 Ų6152.7 Ų52.731%0.31327%0.273SS..EExtended strand (participates in β ladder)trans-71.9124.6171.9-59172000108.1Y80 A83 F118 T126Y80-I123 HydrophobicContact CD1-CD1 4.22Å; Y80-I123 HydrophobicContact CE1-CD1 4.17Å; Y80-I123 HydrophobicContact CE1-CG1 4.23Å; A83-I123 HydrophobicContact CB-CD1 3.84Å; A83-I123 HydrophobicContact CB-CG1 4.38Å; F118-I123 HydrophobicContact CD1-CG1 4.28Å; F118-I123 HydrophobicContact CE1-CG1 4.19Å; I123-T126 HydrophobicContact CG2-CG2 3.62Å
124R97.4Very high97.8Very high128 Ų12856.5 Ų56.548%0.48329%0.29SS..  trans-102.3-75.8-175.4178-179.3172.1-148.3-9.6111.9D115 E116 M117 L119 E122D115-R124 PolarHBondContact O-NH1 3.34Å; E116-R124 WeakPolarHBondContact O-CD 3.43Å; E116-R124 IonicContact OE1-CZ 2.65Å; E116-R124 IonicContact OE1-NH1 3.7Å; E116-R124 PolarHBondContact OE1-NH1 3.5Å; E116-R124 IonicContact OE1-NH2 3.47Å; E116-R124 IonicContact OE2-CZ 3.1Å; E116-R124 IonicContact OE2-NH1 2.64Å; E116-R124 IonicContact OE2-NH2 2.76Å; M117-R124 PolarHBondContact O-N 3.38Å; L119-R124 HydrophobicContact CB-CB 4.22Å; E122-R124 PolarHBondContact O-N 2.98Å
125E98.4Very high97.6Very high44 Ų4456.6 Ų56.621%0.20629%0.291CS..  trans-113.6128.5-178.8-178.357.8-101.200110.1E116 S127 K130 V131E116-E125 WeakPolarHBondContact O-CB 3.32Å; E116-E125 PolarHBondContact O-N 2.92Å; E125-S127 WeakPolarHBondContact OE1-CB 3.21Å; E125-S127 PolarHBondContact OE1-N 3.41Å; E125-K130 HydrophobicContact CG-CB 4.02Å; E125-K130 HydrophobicContact CG-CD 4.45Å; E125-K130 WeakPolarHBondContact OE2-CD 3.43Å; E125-K130 IonicContact OE2-NZ 3.34Å; E125-K130 PolarHBondContact OE2-NZ 3.07Å; E125-V131 HydrophobicContact CB-CG2 4.07Å; E125-V131 HydrophobicContact CG-CG2 3.71Å
126T98.2Very high97.3Very high87 Ų8759 Ų5953%0.53430%0.302SS..  trans-108.5-15.1-178.156.40000112.6N86 I123 Q128N86-T126 PolarHBondContact ND2-O 3.31Å; I123-T126 HydrophobicContact CG2-CG2 3.62Å; T126-Q128 PolarHBondContact O-N 3.13Å
127S98.5Very high97.1Very high41 Ų4163.3 Ų63.329%0.28732%0.324SS..  trans-74.8111.7176.7178.50000111.2E125 T129 K130 V131E125-S127 WeakPolarHBondContact OE1-CB 3.21Å; E125-S127 PolarHBondContact OE1-N 3.41Å; S127-T129 VanDerWaalsContact C-N 3.27Å; S127-T129 PolarHBondContact O-N 3.27Å; S127-K130 PolarHBondContact O-N 3.21Å; S127-V131 WeakPolarHBondContact O-CG2 3.03Å; S127-V131 PolarHBondContact O-N 2.97Å
128Q98.3Very high96.6Very high51 Ų5167.4 Ų67.424%0.23834%0.34CS..Hα-helixtrans-52.5-46.3177.5-54.8-176.19.600111.5N86 E89 V90 T126 K130 V131 L132N86-Q128 WeakPolarHBondContact OD1-CG 3.33Å; N86-Q128 PolarHBondContact OD1-NE2 3.17Å; E89-Q128 PolarHBondContact OE2-NE2 3.23Å; V90-Q128 HydrophobicContact CG2-CB 3.86Å; V90-Q128 HydrophobicContact CG2-CG 3.67Å; T126-Q128 PolarHBondContact O-N 3.13Å; Q128-K130 VanDerWaalsContact C-N 3.34Å; Q128-K130 PolarHBondContact O-N 3.2Å; Q128-V131 PolarHBondContact O-N 3.44Å; Q128-L132 WeakPolarHBondContact O-CB 3.35Å; Q128-L132 VanDerWaalsContact O-CG 3.28Å; Q128-L132 WeakPolarHBondContact O-CG 3.46Å; Q128-L132 PolarHBondContact O-N 3.43Å
129T98Very high95.7Very high103 Ų10369.5 Ų69.563%0.63235%0.354SS*.Hα-helixtrans-58.4-41.3178.1-47.50000113S127 K133S127-T129 VanDerWaalsContact C-N 3.27Å; S127-T129 PolarHBondContact O-N 3.27Å; T129-K133 VanDerWaalsContact O-CB 3.26Å; T129-K133 WeakPolarHBondContact O-CB 3.41Å; T129-K133 PolarHBondContact O-N 3.12Å
130K98.3Very high95.1Very high119 Ų11968.7 Ų68.752%0.51736%0.361SS..Hα-helixtrans-71.7-43.6179.3-71.4-179.3-179174.10111.6E125 S127 Q128 K133 Q134E125-K130 HydrophobicContact CG-CB 4.02Å; E125-K130 HydrophobicContact CG-CD 4.45Å; E125-K130 WeakPolarHBondContact OE2-CD 3.43Å; E125-K130 IonicContact OE2-NZ 3.34Å; E125-K130 PolarHBondContact OE2-NZ 3.07Å; S127-K130 PolarHBondContact O-N 3.21Å; Q128-K130 VanDerWaalsContact C-N 3.34Å; Q128-K130 PolarHBondContact O-N 3.2Å; K130-K133 PolarHBondContact O-N 3.37Å; K130-Q134 WeakPolarHBondContact O-CG 3.26Å; K130-Q134 PolarHBondContact O-N 3.17Å
131V98.4Very high94.1Very high0 Ų072.4 Ų72.40%037%0.371CS..Hα-helixtrans-58.6-51.3177.5175.90000110.1V90 V113 E116 M117 E125 S127 Q128 K133 Q134 V135V90-V131 HydrophobicContact CG1-CB 4.41Å; V90-V131 HydrophobicContact CG1-CG1 3.82Å; V113-V131 HydrophobicContact CG1-CG1 4.07Å; E116-V131 HydrophobicContact CB-CG1 4Å; M117-V131 HydrophobicContact CG-CG1 3.98Å; M117-V131 HydrophobicContact CG-CG2 3.76Å; M117-V131 HydrophobicContact SD-CG1 4.46Å; E125-V131 HydrophobicContact CB-CG2 4.07Å; E125-V131 HydrophobicContact CG-CG2 3.71Å; S127-V131 WeakPolarHBondContact O-CG2 3.03Å; S127-V131 PolarHBondContact O-N 2.97Å; Q128-V131 PolarHBondContact O-N 3.44Å; V131-K133 VanDerWaalsContact C-N 3.35Å; V131-K133 PolarHBondContact O-N 3.38Å; V131-Q134 PolarHBondContact O-N 3.05Å; V131-V135 HydrophobicContact CG1-CG2 4.37Å; V131-V135 WeakPolarHBondContact O-CG2 3.28Å; V131-V135 PolarHBondContact O-N 3.06Å
132L97.1Very high92.5Very high11 Ų1181.6 Ų81.66%0.05841%0.414CS..Hα-helixtrans-61.2-43.2179.7-69.9167.1000112.1V90 E93 L94 Q128 Q134 V135 I136V90-L132 HydrophobicContact CG1-CD2 3.94Å; V90-L132 HydrophobicContact CG1-CG 4.16Å; E93-L132 HydrophobicContact CB-CD1 3.86Å; E93-L132 HydrophobicContact CG-CD1 3.53Å; E93-L132 VanDerWaalsContact OE1-CD1 3.25Å; E93-L132 WeakPolarHBondContact OE1-CD1 3.21Å; E93-L132 VanDerWaalsContact OE2-CD1 3.23Å; E93-L132 WeakPolarHBondContact OE2-CD1 3.42Å; L94-L132 HydrophobicContact CB-CD2 3.73Å; L94-L132 HydrophobicContact CD1-CD2 4.1Å; L94-L132 HydrophobicContact CG-CD2 4.45Å; Q128-L132 WeakPolarHBondContact O-CB 3.35Å; Q128-L132 VanDerWaalsContact O-CG 3.28Å; Q128-L132 WeakPolarHBondContact O-CG 3.46Å; Q128-L132 PolarHBondContact O-N 3.43Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.34Å; L132-V135 PolarHBondContact O-N 2.93Å; L132-I136 WeakPolarHBondContact O-CB 3.43Å; L132-I136 WeakPolarHBondContact O-CD1 3.21Å; L132-I136 WeakPolarHBondContact O-CG1 3.25Å; L132-I136 PolarHBondContact O-N 3.32Å
133K96.3Very high92.2Very high138 Ų13881.5 Ų81.560%0.641%0.414SS*.Hα-helixtrans-56.8-45.2175.9-176.3-179.4178.9-178.40111.4T129 K130 V131 M137T129-K133 VanDerWaalsContact O-CB 3.26Å; T129-K133 WeakPolarHBondContact O-CB 3.41Å; T129-K133 PolarHBondContact O-N 3.12Å; K130-K133 PolarHBondContact O-N 3.37Å; V131-K133 VanDerWaalsContact C-N 3.35Å; V131-K133 PolarHBondContact O-N 3.38Å; K133-M137 WeakPolarHBondContact O-CB 3.23Å; K133-M137 WeakPolarHBondContact O-CG 3.16Å; K133-M137 PolarHBondContact O-N 2.97Å
134Q95.4Very high91.9Very high80 Ų8082.5 Ų82.537%0.37442%0.42SS..Hα-helixtrans-67-44.9178.9-67.2-61.2-16.700112.2E116 K130 V131 L132 I136 M137 Y138E116-Q134 HydrophobicContact CG-CB 4.21Å; K130-Q134 WeakPolarHBondContact O-CG 3.26Å; K130-Q134 PolarHBondContact O-N 3.17Å; V131-Q134 PolarHBondContact O-N 3.05Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.34Å; Q134-I136 VanDerWaalsContact C-N 3.31Å; Q134-I136 PolarHBondContact O-N 2.89Å; Q134-M137 WeakPolarHBondContact O-CB 3.44Å; Q134-M137 PolarHBondContact O-N 3.04Å; Q134-M137 VanDerWaalsContact O-N 3.12Å; Q134-Y138 HydrophobicContact CB-CE2 4.3Å; Q134-Y138 WeakPolarHBondContact O-CD2 3.48Å; Q134-Y138 PolarHBondContact O-N 3.41Å
135V94.2Very high91.6Very high1 Ų180 Ų801%0.00642%0.416CS..Hα-helixtrans-62.2-39179.6173.30000112L94 V113 E116 V131 L132 Y138 S139L94-V135 HydrophobicContact CD1-CG1 4.26Å; L94-V135 HydrophobicContact CD2-CG1 4.24Å; V113-V135 HydrophobicContact CG2-CG1 4.39Å; V113-V135 HydrophobicContact CG2-CG2 3.93Å; E116-V135 HydrophobicContact CG-CG2 4.42Å; V131-V135 HydrophobicContact CG1-CG2 4.37Å; V131-V135 WeakPolarHBondContact O-CG2 3.28Å; V131-V135 PolarHBondContact O-N 3.06Å; L132-V135 PolarHBondContact O-N 2.93Å; V135-Y138 PolarHBondContact O-N 3.36Å; V135-S139 PolarHBondContact O-N 3.29Å; V135-S139 PolarHBondContact O-OG 3.33Å; V135-S139 VanDerWaalsContact O-OG 3.04Å
136I91.1Very high91.2Very high106 Ų10682.1 Ų82.154%0.54443%0.429SS..Hα-helixtrans-67.2-41.3174.9-66.9165.1000110.7L132 Q134 Y138 S139 A140L132-I136 WeakPolarHBondContact O-CB 3.43Å; L132-I136 WeakPolarHBondContact O-CD1 3.21Å; L132-I136 WeakPolarHBondContact O-CG1 3.25Å; L132-I136 PolarHBondContact O-N 3.32Å; Q134-I136 VanDerWaalsContact C-N 3.31Å; Q134-I136 PolarHBondContact O-N 2.89Å; I136-Y138 VanDerWaalsContact C-N 3.32Å; I136-Y138 PolarHBondContact O-N 3.07Å; I136-S139 PolarHBondContact O-N 3.04Å; I136-A140 PolarHBondContact O-N 3.06Å
137M92.5Very high90.7Very high106 Ų10681.8 Ų81.852%0.52242%0.422SS..Hα-helixtrans-60.6-39.8176-74-68.7-56.900112K133 Q134 S139 A140K133-M137 WeakPolarHBondContact O-CB 3.23Å; K133-M137 WeakPolarHBondContact O-CG 3.16Å; K133-M137 PolarHBondContact O-N 2.97Å; Q134-M137 WeakPolarHBondContact O-CB 3.44Å; Q134-M137 PolarHBondContact O-N 3.04Å; Q134-M137 VanDerWaalsContact O-N 3.12Å; M137-S139 VanDerWaalsContact C-N 3.35Å; M137-A140 PolarHBondContact O-N 3.28Å
138Y88.7Confident90.2Very high90 Ų9084.5 Ų84.535%0.35343%0.431SS..Hα-helixtrans-63.6-40.6175.3-60.5-35000112.4E116 Q134 V135 I136 A140 L141E116-Y138 HydrophobicContact CG-CE2 4.15Å; E116-Y138 PolarHBondContact OE1-OH 2.92Å; Q134-Y138 HydrophobicContact CB-CE2 4.3Å; Q134-Y138 WeakPolarHBondContact O-CD2 3.48Å; Q134-Y138 PolarHBondContact O-N 3.41Å; V135-Y138 PolarHBondContact O-N 3.36Å; I136-Y138 VanDerWaalsContact C-N 3.32Å; I136-Y138 PolarHBondContact O-N 3.07Å; Y138-A140 PolarHBondContact O-N 3.48Å; Y138-A140 VanDerWaalsContact O-N 3.17Å; Y138-L141 PolarHBondContact O-N 3.45Å; Y138-L141 VanDerWaalsContact O-N 3.13Å
139S80Confident89.7Confident45 Ų4586.9 Ų86.932%0.31545%0.445SS..Hα-helixtrans-66.7-15.7178.3-54.50000113.3V135 I136 M137V135-S139 PolarHBondContact O-N 3.29Å; V135-S139 PolarHBondContact O-OG 3.33Å; V135-S139 VanDerWaalsContact O-OG 3.04Å; I136-S139 PolarHBondContact O-N 3.04Å; M137-S139 VanDerWaalsContact C-N 3.35Å
140A84.3Confident89Confident76 Ų7685.7 Ų85.763%0.62843%0.431SS*.THydrogen-bonded Turntrans-92.6-9.2177.600000113.5I136 M137 Y138I136-A140 PolarHBondContact O-N 3.06Å; M137-A140 PolarHBondContact O-N 3.28Å; Y138-A140 PolarHBondContact O-N 3.48Å; Y138-A140 VanDerWaalsContact O-N 3.17Å
141L77.5Confident88.2Confident148 Ų14882.9 Ų82.978%0.77542%0.423SS*.THydrogen-bonded Turntrans-90.2-13.3175.3-66172.2000112.4Y138Y138-L141 PolarHBondContact O-N 3.45Å; Y138-L141 VanDerWaalsContact O-N 3.13Å
142E63.3Low87.3Confident194 Ų19490.5 Ų90.591%0.90746%0.462SS*.  trans-86.50173.3-63.1178.3174.500110.9

Retrieved 142 of 142 residues in 44.5 ms (Link to these results)

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