A0A096N9V5_PAPAN Loading...

Drebrin

Actin cytoskeleton-organizing protein that plays a role in the formation of cell projections. Required for actin polymerization at immunological synapses (IS) and for the recruitment of the chemokine receptor CXCR4 to IS. Plays a role in dendritic spine morphogenesis and organization, including the localization of the dopamine receptor DRD1 to the dendritic spines. Involved in memory-related synaptic plasticity in the hippocampus.

AlphaFold DB , UniProt , Accession A0A096N9V5, Species PAPAN (Papio anubis, Olive baboon), Gene DBN1, Length 695 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
1M51.2Low86.3Confident195 Ų19577.5 Ų77.596%0.96146%0.456SS*.  0140.10-70156.3165.700107.6
2A61Low87.2Confident69 Ų6978.6 Ų78.657%0.5745%0.453SS*.  trans-65162.5150.600000107.9
3G82.2Confident87.9Confident28 Ų2872.5 Ų72.529%0.28942%0.418SS..  trans-115.8161.1169.600000109.2S5 H101G3-S5 PolarHBondContact O-N 3.22Å; G3-H101 WeakPolarHBondContact CA-NE2 3.33Å
4V93.3Very high88.5Confident11 Ų1171.4 Ų71.47%0.06741%0.41CS..  trans-40.1128171.957.50000111.6F6 Y34 D39 L41 H101 K104 V105V4-F6 HydrophobicContact CB-CZ 4.46Å; V4-F6 HydrophobicContact CG1-CE2 4.08Å; V4-F6 HydrophobicContact CG1-CZ 3.76Å; V4-F6 HydrophobicContact CG2-CD1 4.31Å; V4-F6 HydrophobicContact CG2-CE1 3.8Å; V4-F6 HydrophobicContact CG2-CE2 4.42Å; V4-F6 HydrophobicContact CG2-CZ 3.86Å; V4-Y34 HydrophobicContact CB-CE1 4.46Å; V4-Y34 HydrophobicContact CG2-CE1 4.2Å; V4-D39 WeakPolarHBondContact CA-O 3.23Å; V4-L41 HydrophobicContact CG2-CB 4.36Å; V4-H101 HydrophobicContact CB-CB 3.86Å; V4-H101 HydrophobicContact CG1-CB 3.68Å; V4-H101 PolarHBondContact N-CD2 2.87Å; V4-H101 PolarHBondContact N-CE1 3.38Å; V4-H101 PolarHBondContact N-NE2 2.98Å; V4-H101 VanDerWaalsContact N-NE2 3.14Å; V4-K104 HydrophobicContact CG1-CB 3.8Å; V4-K104 HydrophobicContact CG1-CD 3.83Å; V4-K104 HydrophobicContact CG1-CG 4.49Å; V4-V105 HydrophobicContact CG1-CG2 4.46Å; V4-V105 HydrophobicContact CG2-CG2 4.43Å
5S94.3Very high89Confident36 Ų3669.7 Ų69.725%0.25241%0.408SS..BIsolated β-bridgetrans-102.8151.9173-1790000109.1G3 S7 D39 D40 L41G3-S5 PolarHBondContact O-N 3.22Å; S5-S7 WeakPolarHBondContact OG-CB 3.3Å; S5-S7 PolarHBondContact OG-N 3.18Å; S5-S7 PolarHBondContact OG-OG 3.37Å; S5-S7 VanDerWaalsContact OG-OG 3.13Å; S5-D39 PolarHBondContact N-O 3.42Å; S5-D40 VanDerWaalsContact CB-CG 3.48Å; S5-D40 WeakPolarHBondContact CB-OD2 3.48Å; S5-D40 WeakPolarHBondContact O-CA 3.2Å; S5-D40 PolarHBondContact OG-OD2 3.39Å; S5-L41 PolarHBondContact O-N 3.38Å
6F94.8Very high89.5Confident32 Ų3265.6 Ų65.614%0.1438%0.384CS..  trans-130.628.5177.1-48.5-82.6000109.3V4 R10 L13 L41 K104 V105 F108V4-F6 HydrophobicContact CB-CZ 4.46Å; V4-F6 HydrophobicContact CG1-CE2 4.08Å; V4-F6 HydrophobicContact CG1-CZ 3.76Å; V4-F6 HydrophobicContact CG2-CD1 4.31Å; V4-F6 HydrophobicContact CG2-CE1 3.8Å; V4-F6 HydrophobicContact CG2-CE2 4.42Å; V4-F6 HydrophobicContact CG2-CZ 3.86Å; F6-R10 WeakPolarHBondContact O-CA 3.47Å; F6-R10 WeakPolarHBondContact O-CB 3.45Å; F6-R10 WeakPolarHBondContact O-CG 3.44Å; F6-L13 HydrophobicContact CB-CD1 4.12Å; F6-L13 HydrophobicContact CD1-CD1 4.17Å; F6-L41 HydrophobicContact CD1-CB 4.35Å; F6-L41 HydrophobicContact CD1-CD2 4.24Å; F6-L41 HydrophobicContact CE1-CD2 4.14Å; F6-K104 HydrophobicContact CE2-CB 4.33Å; F6-K104 HydrophobicContact CZ-CB 4.21Å; F6-V105 HydrophobicContact CE1-CG2 4.11Å; F6-V105 HydrophobicContact CZ-CG2 4.18Å; F6-F108 HydrophobicContact CB-CD2 3.87Å; F6-F108 HydrophobicContact CB-CE2 3.42Å; F6-F108 VanDerWaalsContact CB-CE2 3.42Å; F6-F108 HydrophobicContact CB-CZ 4Å; F6-F108 HydrophobicContact CD1-CB 4.45Å; F6-F108 HydrophobicContact CD1-CD1 4.16Å; F6-F108 AromaticContact CD1-CD2 3.78Å; F6-F108 HydrophobicContact CD1-CD2 3.78Å; F6-F108 HydrophobicContact CD1-CE1 4.35Å; F6-F108 AromaticContact CD1-CE2 3.97Å; F6-F108 HydrophobicContact CD1-CE2 3.97Å; F6-F108 AromaticContact CD1-CG 3.89Å; F6-F108 HydrophobicContact CD1-CG 3.89Å; F6-F108 HydrophobicContact CD1-CZ 4.26Å; F6-F108 AromaticContact CD2-CD2 3.76Å; F6-F108 HydrophobicContact CD2-CD2 3.76Å; F6-F108 HydrophobicContact CD2-CE2 4.22Å; F6-F108 HydrophobicContact CD2-CG 4.4Å; F6-F108 HydrophobicContact CE1-CB 4.01Å; F6-F108 HydrophobicContact CE1-CD1 4.3Å; F6-F108 HydrophobicContact CE1-CD2 4.19Å; F6-F108 AromaticContact CE1-CG 3.93Å; F6-F108 HydrophobicContact CE1-CG 3.93Å; F6-F108 HydrophobicContact CE2-CB 4.24Å; F6-F108 HydrophobicContact CE2-CD2 4.17Å; F6-F108 HydrophobicContact CE2-CG 4.44Å; F6-F108 AromaticContact CG-CD2 3.54Å; F6-F108 HydrophobicContact CG-CD2 3.54Å; F6-F108 AromaticContact CG-CE2 3.64Å; F6-F108 HydrophobicContact CG-CE2 3.64Å; F6-F108 HydrophobicContact CG-CG 4.12Å; F6-F108 HydrophobicContact CG-CZ 4.3Å; F6-F108 HydrophobicContact CZ-CB 3.9Å; F6-F108 HydrophobicContact CZ-CD2 4.37Å; F6-F108 HydrophobicContact CZ-CG 4.21Å
7S92.9Very high89.9Confident90 Ų9062.6 Ų62.663%0.62937%0.365SS*.SBendtrans-101.6-35.6-162.881.40000112.7S5 D40S5-S7 WeakPolarHBondContact OG-CB 3.3Å; S5-S7 PolarHBondContact OG-N 3.18Å; S5-S7 PolarHBondContact OG-OG 3.37Å; S5-S7 VanDerWaalsContact OG-OG 3.13Å; S7-D40 PolarHBondContact N-OD1 2.56Å; S7-D40 PolarHBondContact N-OD2 2.69Å; S7-D40 PolarHBondContact OG-OD2 2.71Å
8G92.1Very high90.2Very high56 Ų5664.9 Ų64.958%0.57737%0.371SS*.SBendtrans-66.4-49176.800000111.6D40G8-D40 PolarHBondContact N-OD1 3.13Å; G8-D40 PolarHBondContact N-OD2 2.78Å; G8-D40 VanDerWaalsContact N-OD2 3.15Å
9H95.3Very high90.5Very high48 Ų4865.7 Ų65.722%0.22237%0.372CS..SBendtrans-109.118-172.8-61.7-94.2000114L11 E12 L13 L41H9-L11 PolarHBondContact O-N 3.15Å; H9-E12 HydrophobicContact CB-CB 4.44Å; H9-E12 IonicContact CE1-OE2 3.8Å; H9-E12 IonicContact CG-OE2 3.57Å; H9-E12 IonicContact ND1-OE2 2.74Å; H9-E12 PolarHBondContact ND1-OE2 2.83Å; H9-E12 WeakPolarHBondContact O-CB 3.24Å; H9-E12 PolarHBondContact O-N 3.3Å; H9-L13 HydrophobicContact CB-CG 4.13Å; H9-L13 WeakPolarHBondContact O-CG 3.08Å; H9-L13 PolarHBondContact O-N 3.4Å; H9-L41 WeakPolarHBondContact CB-O 2.98Å
10R95.9Very high90.7Very high136 Ų13662.6 Ų62.651%0.51335%0.354SS..Hα-helixtrans-47.5-43.2-168.8-160.3-174.9164.481.110.9114.4F6 L14 F108F6-R10 WeakPolarHBondContact O-CA 3.47Å; F6-R10 WeakPolarHBondContact O-CB 3.45Å; F6-R10 WeakPolarHBondContact O-CG 3.44Å; R10-L14 HydrophobicContact CG-CD1 4.05Å; R10-L14 WeakPolarHBondContact O-CB 3.24Å; R10-L14 VanDerWaalsContact O-CG 3.29Å; R10-L14 WeakPolarHBondContact O-CG 3.37Å; R10-L14 PolarHBondContact O-N 2.74Å; R10-L14 VanDerWaalsContact O-N 3.12Å; R10-F108 HydrophobicContact CG-CE2 4.37Å; R10-F108 HydrophobicContact CG-CZ 4.41Å
11L96.5Very high90.8Very high152 Ų15262 Ų6280%0.79635%0.35SS*.Hα-helixtrans-70.9-38.1-177.1-173.764.7000112.2H9 A15H9-L11 PolarHBondContact O-N 3.15Å; L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 3.34Å
12E96.8Very high92.8Very high90 Ų9057 Ų5742%0.42132%0.32SS..Hα-helixtrans-71.8-44.8178.7-179.7176.3-142.300111H9 L14 A15 A16 L43H9-E12 HydrophobicContact CB-CB 4.44Å; H9-E12 IonicContact CE1-OE2 3.8Å; H9-E12 IonicContact CG-OE2 3.57Å; H9-E12 IonicContact ND1-OE2 2.74Å; H9-E12 PolarHBondContact ND1-OE2 2.83Å; H9-E12 WeakPolarHBondContact O-CB 3.24Å; H9-E12 PolarHBondContact O-N 3.3Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.41Å; E12-A15 PolarHBondContact O-N 2.93Å; E12-A16 PolarHBondContact O-N 3.02Å; E12-A16 VanDerWaalsContact O-N 3.15Å; E12-L43 HydrophobicContact CG-CB 3.91Å; E12-L43 HydrophobicContact CG-CD2 4.15Å
13L96.8Very high93.9Very high0 Ų060 Ų600%032%0.322CS..Hα-helixtrans-55.7-46.3172-64.1176.9000111.8F6 H9 Y17 Y32 L41 F108F6-L13 HydrophobicContact CB-CD1 4.12Å; F6-L13 HydrophobicContact CD1-CD1 4.17Å; H9-L13 HydrophobicContact CB-CG 4.13Å; H9-L13 WeakPolarHBondContact O-CG 3.08Å; H9-L13 PolarHBondContact O-N 3.4Å; L13-Y17 VanDerWaalsContact O-CB 3.23Å; L13-Y17 WeakPolarHBondContact O-CB 3.42Å; L13-Y17 PolarHBondContact O-N 3.42Å; L13-Y32 HydrophobicContact CD2-CD1 3.41Å; L13-Y32 VanDerWaalsContact CD2-CD1 3.41Å; L13-Y32 HydrophobicContact CD2-CE1 3.92Å; L13-Y32 HydrophobicContact CD2-CG 4.27Å; L13-L41 HydrophobicContact CD1-CB 4.23Å; L13-L41 HydrophobicContact CD2-CD2 4.24Å; L13-L41 HydrophobicContact CD2-CG 4.26Å; L13-F108 HydrophobicContact CB-CE1 3.99Å; L13-F108 HydrophobicContact CB-CZ 4.05Å; L13-F108 HydrophobicContact CD1-CE1 4.27Å; L13-F108 HydrophobicContact CD1-CZ 4.04Å
14L95.8Very high94Very high57 Ų5767.3 Ų67.330%0.29835%0.349SS..Hα-helixtrans-77.1-27.2-179-69.5174.2000113.3R10 E12 Y17 E18 F108R10-L14 HydrophobicContact CG-CD1 4.05Å; R10-L14 WeakPolarHBondContact O-CB 3.24Å; R10-L14 VanDerWaalsContact O-CG 3.29Å; R10-L14 WeakPolarHBondContact O-CG 3.37Å; R10-L14 PolarHBondContact O-N 2.74Å; R10-L14 VanDerWaalsContact O-N 3.12Å; E12-L14 VanDerWaalsContact C-N 3.33Å; E12-L14 PolarHBondContact O-N 3.41Å; L14-Y17 HydrophobicContact CD2-CD1 4.4Å; L14-E18 VanDerWaalsContact O-CB 3.28Å; L14-E18 WeakPolarHBondContact O-CB 3.29Å; L14-E18 PolarHBondContact O-N 3.37Å; L14-F108 HydrophobicContact CD1-CZ 4.45Å; L14-F108 HydrophobicContact CD2-CE1 3.79Å; L14-F108 HydrophobicContact CD2-CZ 3.76Å; L14-F108 HydrophobicContact CG-CE1 4.25Å; L14-F108 HydrophobicContact CG-CZ 3.84Å
15A96.6Very high93.9Very high46 Ų4668 Ų6838%0.3835%0.354SS..Hα-helixtrans-66.8-51.6175.400000111.3L11 E12 Y17 E18 E19L11-A15 VanDerWaalsContact O-CB 3.24Å; L11-A15 WeakPolarHBondContact O-CB 3.41Å; L11-A15 PolarHBondContact O-N 3.34Å; E12-A15 PolarHBondContact O-N 2.93Å; A15-Y17 VanDerWaalsContact C-N 3.28Å; A15-Y17 PolarHBondContact O-N 3.39Å; A15-E18 PolarHBondContact O-N 3.03Å; A15-E19 WeakPolarHBondContact O-CB 3.36Å; A15-E19 WeakPolarHBondContact O-CG 3.44Å; A15-E19 PolarHBondContact O-N 2.95Å
16A96.6Very high93.7Very high3 Ų369.1 Ų69.13%0.02537%0.365CS..Hα-helixtrans-62.7-36.1176.100000112E12 E19 V20 A30 Y32 L43E12-A16 PolarHBondContact O-N 3.02Å; E12-A16 VanDerWaalsContact O-N 3.15Å; A16-E19 PolarHBondContact O-N 3.15Å; A16-V20 WeakPolarHBondContact O-CG2 3.28Å; A16-V20 PolarHBondContact O-N 3.3Å; A16-V20 VanDerWaalsContact O-N 3.17Å; A16-A30 HydrophobicContact CB-CB 4.03Å; A16-Y32 HydrophobicContact CB-CE1 4.39Å; A16-L43 HydrophobicContact CB-CD1 3.63Å; A16-L43 HydrophobicContact CB-CD2 3.96Å; A16-L43 HydrophobicContact CB-CG 4.45Å
17Y96.8Very high93.6Very high15 Ų1568.3 Ų68.36%0.05937%0.365CS..Hα-helixtrans-63.7-48.8175.3-176.8-115.7000113.2L13 L14 A15 E19 V20 I21 Y32 F67 F109 Q110L13-Y17 VanDerWaalsContact O-CB 3.23Å; L13-Y17 WeakPolarHBondContact O-CB 3.42Å; L13-Y17 PolarHBondContact O-N 3.42Å; L14-Y17 HydrophobicContact CD2-CD1 4.4Å; A15-Y17 VanDerWaalsContact C-N 3.28Å; A15-Y17 PolarHBondContact O-N 3.39Å; Y17-E19 VanDerWaalsContact C-N 3.26Å; Y17-E19 PolarHBondContact O-N 3.08Å; Y17-V20 PolarHBondContact O-N 2.92Å; Y17-V20 VanDerWaalsContact O-N 3.15Å; Y17-I21 HydrophobicContact CD1-CD1 3.86Å; Y17-I21 HydrophobicContact CD2-CD1 4.4Å; Y17-I21 HydrophobicContact CE1-CD1 3.35Å; Y17-I21 HydrophobicContact CE2-CD1 3.96Å; Y17-I21 HydrophobicContact CG-CD1 4.35Å; Y17-I21 PolarHBondContact O-N 3.49Å; Y17-Y32 PolarHBondContact N-OH 3.21Å; Y17-F67 AromaticContact CD2-CD1 3.8Å; Y17-F67 HydrophobicContact CD2-CD1 3.8Å; Y17-F67 AromaticContact CD2-CE1 3.78Å; Y17-F67 HydrophobicContact CD2-CE1 3.78Å; Y17-F67 HydrophobicContact CD2-CG 4.23Å; Y17-F67 HydrophobicContact CD2-CZ 4.19Å; Y17-F67 AromaticContact CE2-CD1 3.8Å; Y17-F67 HydrophobicContact CE2-CD1 3.8Å; Y17-F67 HydrophobicContact CE2-CD2 4.05Å; Y17-F67 AromaticContact CE2-CE1 3.42Å; Y17-F67 HydrophobicContact CE2-CE1 3.42Å; Y17-F67 VanDerWaalsContact CE2-CE1 3.42Å; Y17-F67 AromaticContact CE2-CE2 3.69Å; Y17-F67 HydrophobicContact CE2-CE2 3.69Å; Y17-F67 HydrophobicContact CE2-CG 4.1Å; Y17-F67 AromaticContact CE2-CZ 3.36Å; Y17-F67 HydrophobicContact CE2-CZ 3.36Å; Y17-F109 HydrophobicContact CD1-CD1 4.18Å; Y17-F109 HydrophobicContact CD2-CB 4.11Å; Y17-F109 AromaticContact CD2-CD1 3.22Å; Y17-F109 HydrophobicContact CD2-CD1 3.22Å; Y17-F109 AromaticContact CD2-CE1 3.9Å; Y17-F109 HydrophobicContact CD2-CE1 3.9Å; Y17-F109 AromaticContact CD2-CG 3.96Å; Y17-F109 HydrophobicContact CD2-CG 3.96Å; Y17-F109 HydrophobicContact CE1-CD1 4.45Å; Y17-F109 HydrophobicContact CE2-CB 3.5Å; Y17-F109 VanDerWaalsContact CE2-CB 3.5Å; Y17-F109 AromaticContact CE2-CD1 3.56Å; Y17-F109 HydrophobicContact CE2-CD1 3.56Å; Y17-F109 AromaticContact CE2-CG 3.88Å; Y17-F109 HydrophobicContact CE2-CG 3.88Å; Y17-F109 AromaticContact CG-CD1 3.57Å; Y17-F109 HydrophobicContact CG-CD1 3.57Å; Y17-F109 HydrophobicContact CG-CE1 4.03Å; Y17-F109 PolarHBondContact OH-O 3.26Å; Y17-Q110 PolarHBondContact OH-N 2.94Å; Y17-Q110 PolarHBondContact OH-O 2.93Å; Y17-Q110 VanDerWaalsContact OH-O 3.04Å
18E95.3Very high93.7Very high104 Ų10465.5 Ų65.549%0.48634%0.343SS..Hα-helixtrans-64.3-32.2175.8-173.476.3-161.100111.4L14 A15 V20 I21 R22L14-E18 VanDerWaalsContact O-CB 3.28Å; L14-E18 WeakPolarHBondContact O-CB 3.29Å; L14-E18 PolarHBondContact O-N 3.37Å; A15-E18 PolarHBondContact O-N 3.03Å; E18-V20 VanDerWaalsContact C-N 3.33Å; E18-V20 PolarHBondContact O-N 2.98Å; E18-I21 PolarHBondContact O-N 3.12Å; E18-R22 VanDerWaalsContact CG-NH2 3.34Å; E18-R22 VanDerWaalsContact O-CB 3.24Å; E18-R22 WeakPolarHBondContact O-CB 3.35Å; E18-R22 PolarHBondContact O-N 2.91Å
19E95.5Very high93.9Very high80 Ų8062.9 Ų62.937%0.37432%0.316SS..Hα-helixtrans-67.1-26.7173.3-79.5171.2-178.800113.9A15 A16 Y17 S25 A27A15-E19 WeakPolarHBondContact O-CB 3.36Å; A15-E19 WeakPolarHBondContact O-CG 3.44Å; A15-E19 PolarHBondContact O-N 2.95Å; A16-E19 PolarHBondContact O-N 3.15Å; Y17-E19 VanDerWaalsContact C-N 3.26Å; Y17-E19 PolarHBondContact O-N 3.08Å; E19-S25 WeakPolarHBondContact O-CB 3.25Å; E19-S25 PolarHBondContact O-OG 2.79Å; E19-A27 HydrophobicContact CB-CB 4.49Å
20V94.8Very high94Very high4 Ų460.6 Ų60.62%0.02431%0.305CS..Hα-helixtrans-85.3-24.4174.9173.90000112.7A16 Y17 E18 D28 W29 A30 F67A16-V20 WeakPolarHBondContact O-CG2 3.28Å; A16-V20 PolarHBondContact O-N 3.3Å; A16-V20 VanDerWaalsContact O-N 3.17Å; Y17-V20 PolarHBondContact O-N 2.92Å; Y17-V20 VanDerWaalsContact O-N 3.15Å; E18-V20 VanDerWaalsContact C-N 3.33Å; E18-V20 PolarHBondContact O-N 2.98Å; V20-D28 WeakPolarHBondContact CG1-O 3.5Å; V20-W29 VanDerWaalsContact CG2-C 3.46Å; V20-A30 HydrophobicContact CG2-CB 3.89Å; V20-F67 HydrophobicContact CB-CD1 4.19Å; V20-F67 HydrophobicContact CB-CE1 4.32Å; V20-F67 HydrophobicContact CG1-CD1 3.7Å; V20-F67 HydrophobicContact CG1-CE1 3.77Å
21I92.8Very high94.1Very high51 Ų5154.2 Ų54.226%0.26228%0.281SS..Hα-helixtrans-82.3-38177.1-72.1166.8000112.2Y17 E18 E23 F67 Y80Y17-I21 HydrophobicContact CD1-CD1 3.86Å; Y17-I21 HydrophobicContact CD2-CD1 4.4Å; Y17-I21 HydrophobicContact CE1-CD1 3.35Å; Y17-I21 HydrophobicContact CE2-CD1 3.96Å; Y17-I21 HydrophobicContact CG-CD1 4.35Å; Y17-I21 PolarHBondContact O-N 3.49Å; E18-I21 PolarHBondContact O-N 3.12Å; I21-E23 PolarHBondContact O-N 3.08Å; I21-E23 VanDerWaalsContact O-N 3.16Å; I21-F67 HydrophobicContact CG1-CE1 4.4Å; I21-Y80 HydrophobicContact CG1-CE1 3.96Å; I21-Y80 PolarHBondContact O-OH 3.43Å
22R91.9Very high94.2Very high89 Ų8947 Ų4734%0.33624%0.243SC..  trans-70111.1-172.2-170.4-169.7-43.8113.78.5110.7E18 E24 S25E18-R22 VanDerWaalsContact CG-NH2 3.34Å; E18-R22 VanDerWaalsContact O-CB 3.24Å; E18-R22 WeakPolarHBondContact O-CB 3.35Å; E18-R22 PolarHBondContact O-N 2.91Å; R22-E24 HydrophobicContact CG-CB 4.18Å; R22-E24 PolarHBondContact O-N 2.68Å; R22-S25 WeakPolarHBondContact O-CA 3.34Å; R22-S25 WeakPolarHBondContact O-CB 3.31Å; R22-S25 PolarHBondContact O-N 3.32Å
23E84.5Confident94.2Very high132 Ų13243 Ų4362%0.61723%0.225SC*.THydrogen-bonded Turntrans-59-20.9-178.7-60.2-174.5158.900114.6I21 S25 P78I21-E23 PolarHBondContact O-N 3.08Å; I21-E23 VanDerWaalsContact O-N 3.16Å; E23-S25 VanDerWaalsContact C-N 3.3Å; E23-P78 WeakPolarHBondContact OE1-CD 3.08Å
24E85.8Confident94.2Very high181 Ų18143.7 Ų43.785%0.84623%0.228SC*.THydrogen-bonded Turntrans-76.7-14.3173.7-53.9-178.9148.200113.5R22R22-E24 HydrophobicContact CG-CB 4.18Å; R22-E24 PolarHBondContact O-N 2.68Å
25S89.8Confident94.2Very high26 Ų2645.1 Ų45.118%0.18223%0.233CC..  trans-82.5147.2176.6-167.80000110.7E19 R22 E23 A27E19-S25 WeakPolarHBondContact O-CB 3.25Å; E19-S25 PolarHBondContact O-OG 2.79Å; R22-S25 WeakPolarHBondContact O-CA 3.34Å; R22-S25 WeakPolarHBondContact O-CB 3.31Å; R22-S25 PolarHBondContact O-N 3.32Å; E23-S25 VanDerWaalsContact C-N 3.3Å; S25-A27 PolarHBondContact OG-N 2.8Å
26A89.9Confident93.9Very high59 Ų5948.5 Ų48.549%0.48825%0.245SC..SBendtrans-85.1-23.417100000112.3D28 E48A26-D28 PolarHBondContact O-N 2.81Å; A26-E48 VanDerWaalsContact CB-CD 3.42Å; A26-E48 HydrophobicContact CB-CG 4.15Å; A26-E48 VanDerWaalsContact CB-OE1 3.3Å; A26-E48 WeakPolarHBondContact CB-OE1 3.3Å
27A93.7Very high93.4Very high16 Ų1653 Ų5313%0.13229%0.291CS..  trans-65.3128.9176.600000111.1E19 S25 G47E19-A27 HydrophobicContact CB-CB 4.49Å; S25-A27 PolarHBondContact OG-N 2.8Å; A27-G47 CarbonylContact C-O 3.54Å; A27-G47 VanDerWaalsContact CA-O 3.25Å; A27-G47 WeakPolarHBondContact CA-O 3.39Å
28D95.1Very high93.1Very high30 Ų3054 Ų5416%0.1630%0.301CS..  trans-124.3-5-18075.5-20.7000113.4V20 A26 G47 E48 G50 C68 S69V20-D28 WeakPolarHBondContact CG1-O 3.5Å; A26-D28 PolarHBondContact O-N 2.81Å; D28-G47 PolarHBondContact N-O 3.18Å; D28-E48 WeakPolarHBondContact OD1-CA 3.42Å; D28-G50 VanDerWaalsContact CG-CA 3.48Å; D28-G50 VanDerWaalsContact OD1-CA 3.27Å; D28-G50 WeakPolarHBondContact OD1-CA 3.37Å; D28-G50 PolarHBondContact OD1-N 2.83Å; D28-G50 WeakPolarHBondContact OD2-CA 3.38Å; D28-G50 PolarHBondContact OD2-N 2.91Å; D28-C68 CarbonylContact O-C 3.6Å; D28-C68 WeakPolarHBondContact O-CA 3.44Å; D28-S69 PolarHBondContact O-N 2.93Å
29W96.6Very high93.1Very high2 Ų251 Ų511%0.00829%0.288CS..EExtended strand (participates in β ladder)trans-140.3152.4167.868.7-89.3000114.3V20 L31 A45 S46 G47 E53 L54 H57 F67 C68V20-W29 VanDerWaalsContact CG2-C 3.46Å; W29-L31 HydrophobicContact CE3-CB 4.1Å; W29-L31 HydrophobicContact CZ3-CB 3.71Å; W29-A45 HydrophobicContact CH2-CB 3.6Å; W29-A45 HydrophobicContact CZ3-CB 3.73Å; W29-S46 VanDerWaalsContact O-CA 3.28Å; W29-S46 WeakPolarHBondContact O-CA 3.12Å; W29-S46 VanDerWaalsContact O-CB 3.3Å; W29-S46 WeakPolarHBondContact O-CB 3.27Å; W29-G47 VanDerWaalsContact CE2-CA 3.5Å; W29-G47 PolarHBondContact N-O 2.84Å; W29-G47 VanDerWaalsContact NE1-C 3.33Å; W29-G47 PolarHBondContact O-N 3.06Å; W29-G47 VanDerWaalsContact O-N 3.08Å; W29-E53 HydrophobicContact CZ2-CB 4.48Å; W29-E53 HydrophobicContact CZ2-CG 3.76Å; W29-E53 PolarHBondContact NE1-OE2 2.85Å; W29-L54 HydrophobicContact CB-CB 4.19Å; W29-L54 HydrophobicContact CB-CD2 4.17Å; W29-L54 HydrophobicContact CD2-CB 3.86Å; W29-L54 HydrophobicContact CD2-CD1 4.14Å; W29-L54 HydrophobicContact CE3-CB 4.18Å; W29-L54 HydrophobicContact CE3-CD1 3.57Å; W29-L54 HydrophobicContact CE3-CG 4.41Å; W29-L54 HydrophobicContact CG-CB 3.87Å; W29-L54 HydrophobicContact CZ3-CD1 4.1Å; W29-H57 HydrophobicContact CH2-CB 4.25Å; W29-H57 AromaticContact CH2-CD2 3.34Å; W29-H57 WeakPolarHBondContact CH2-CD2 3.48Å; W29-H57 AromaticContact CH2-CG 3.77Å; W29-H57 AromaticContact CH2-NE2 3.81Å; W29-H57 AromaticContact CZ2-CD2 3.56Å; W29-H57 AromaticContact CZ2-NE2 3.89Å; W29-F67 CarbonylContact C-O 3.56Å; W29-F67 VanDerWaalsContact CA-O 3.3Å; W29-F67 WeakPolarHBondContact CA-O 3.3Å; W29-C68 HydrophobicContact CB-CB 4.35Å
30A97.7Very high93.1Very high0 Ų048 Ų480%027%0.274CS..EExtended strand (participates in β ladder)trans-138.9134170.700000110.2A16 V20 Y32 L43 F67A16-A30 HydrophobicContact CB-CB 4.03Å; V20-A30 HydrophobicContact CG2-CB 3.89Å; A30-Y32 HydrophobicContact CB-CE1 4.35Å; A30-Y32 HydrophobicContact CB-CE2 4.09Å; A30-Y32 WeakPolarHBondContact CB-OH 3.45Å; A30-L43 HydrophobicContact CB-CD1 4.41Å; A30-F67 PolarHBondContact N-O 3.33Å; A30-F67 PolarHBondContact O-N 3.18Å
31L98.1Very high93.2Very high1 Ų147.8 Ų47.81%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-113127.3-178179.961.8000110.1W29 A44 A45 L54 H57 F58 M64W29-L31 HydrophobicContact CE3-CB 4.1Å; W29-L31 HydrophobicContact CZ3-CB 3.71Å; L31-A44 HydrophobicContact CD2-CB 4.42Å; L31-A44 HydrophobicContact CG-CB 4.16Å; L31-A44 WeakPolarHBondContact O-CA 3.47Å; L31-A44 WeakPolarHBondContact O-CB 3.27Å; L31-A44 PolarHBondContact O-N 2.84Å; L31-A45 PolarHBondContact N-O 3.2Å; L31-A45 PolarHBondContact O-N 2.77Å; L31-L54 HydrophobicContact CB-CD1 3.94Å; L31-L54 HydrophobicContact CD1-CD1 4.07Å; L31-L54 HydrophobicContact CG-CD1 4.4Å; L31-H57 HydrophobicContact CD2-CB 3.63Å; L31-H57 VanDerWaalsContact CD2-O 3.27Å; L31-H57 WeakPolarHBondContact CD2-O 3.4Å; L31-F58 HydrophobicContact CD1-CD1 3.78Å; L31-F58 HydrophobicContact CD1-CE1 3.34Å; L31-F58 HydrophobicContact CD1-CZ 4.08Å; L31-M64 HydrophobicContact CD1-CB 3.89Å; L31-M64 HydrophobicContact CD1-CE 4.42Å; L31-M64 HydrophobicContact CD2-CE 3.72Å; L31-M64 HydrophobicContact CD2-SD 4.43Å; L31-M64 HydrophobicContact CG-CE 4.06Å
32Y97.8Very high93.3Very high0 Ų047.6 Ų47.60%027%0.27CS..EExtended strand (participates in β ladder)trans-115.6147.3-179.3-47.6-77.4000110.9L13 A16 Y17 A30 L41 K42 L43 M64 Y65 F67 F109L13-Y32 HydrophobicContact CD2-CD1 3.41Å; L13-Y32 VanDerWaalsContact CD2-CD1 3.41Å; L13-Y32 HydrophobicContact CD2-CE1 3.92Å; L13-Y32 HydrophobicContact CD2-CG 4.27Å; A16-Y32 HydrophobicContact CB-CE1 4.39Å; Y17-Y32 PolarHBondContact N-OH 3.21Å; A30-Y32 HydrophobicContact CB-CE1 4.35Å; A30-Y32 HydrophobicContact CB-CE2 4.09Å; A30-Y32 WeakPolarHBondContact CB-OH 3.45Å; Y32-L41 HydrophobicContact CG-CD2 4.37Å; Y32-K42 CarbonylContact C-O 3.59Å; Y32-K42 VanDerWaalsContact CA-O 3.32Å; Y32-K42 WeakPolarHBondContact CA-O 3.37Å; Y32-L43 HydrophobicContact CD1-CD1 3.9Å; Y32-L43 HydrophobicContact CE1-CD1 3.69Å; Y32-M64 CarbonylContact O-C 3.58Å; Y32-M64 VanDerWaalsContact O-CA 3.25Å; Y32-M64 WeakPolarHBondContact O-CA 3.28Å; Y32-M64 WeakPolarHBondContact O-CB 3.3Å; Y32-Y65 VanDerWaalsContact CD2-O 3.29Å; Y32-Y65 WeakPolarHBondContact CD2-O 3.41Å; Y32-Y65 PolarHBondContact N-O 3.15Å; Y32-Y65 PolarHBondContact O-N 3.17Å; Y32-F67 HydrophobicContact CE2-CB 4Å; Y32-F109 HydrophobicContact CD1-CZ 4.04Å; Y32-F109 HydrophobicContact CD2-CE1 4.4Å; Y32-F109 AromaticContact CD2-CE2 3.53Å; Y32-F109 HydrophobicContact CD2-CE2 3.53Å; Y32-F109 AromaticContact CD2-CZ 3.44Å; Y32-F109 HydrophobicContact CD2-CZ 3.44Å; Y32-F109 VanDerWaalsContact CD2-CZ 3.44Å; Y32-F109 HydrophobicContact CE1-CE1 4.23Å; Y32-F109 AromaticContact CE1-CZ 3.83Å; Y32-F109 HydrophobicContact CE1-CZ 3.83Å; Y32-F109 HydrophobicContact CE2-CD2 4.39Å; Y32-F109 AromaticContact CE2-CE1 3.76Å; Y32-F109 HydrophobicContact CE2-CE1 3.76Å; Y32-F109 AromaticContact CE2-CE2 3.59Å; Y32-F109 HydrophobicContact CE2-CE2 3.59Å; Y32-F109 AromaticContact CE2-CZ 3.22Å; Y32-F109 HydrophobicContact CE2-CZ 3.22Å; Y32-F109 HydrophobicContact CG-CE2 4.19Å; Y32-F109 AromaticContact CG-CZ 3.85Å; Y32-F109 HydrophobicContact CG-CZ 3.85Å; Y32-F109 AromaticContact CZ-CE1 3.65Å; Y32-F109 AromaticContact CZ-CZ 3.42Å; Y32-F109 VanDerWaalsContact CZ-CZ 3.42Å
33T97.1Very high93.6Very high7 Ų745.4 Ų45.44%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-143.3169.3175.7-165.90000110.9L41 K42 A44 V63 M64T33-L41 WeakPolarHBondContact O-CD1 3.32Å; T33-K42 HydrophobicContact CG2-CG 4.07Å; T33-K42 PolarHBondContact N-O 2.97Å; T33-K42 WeakPolarHBondContact O-CG 3.27Å; T33-K42 PolarHBondContact O-N 2.96Å; T33-A44 HydrophobicContact CG2-CB 3.95Å; T33-V63 PolarHBondContact OG1-O 3.43Å; T33-M64 HydrophobicContact CG2-CE 4.5Å
34Y96.3Very high94.2Very high15 Ų1541.4 Ų41.46%0.05926%0.255CS..EExtended strand (participates in β ladder)trans-75.3147.3175.9-67-83.7000111.3V4 L41 K42 V63 Y65 H101V4-Y34 HydrophobicContact CB-CE1 4.46Å; V4-Y34 HydrophobicContact CG2-CE1 4.2Å; Y34-L41 HydrophobicContact CD1-CD1 4.48Å; Y34-K42 VanDerWaalsContact O-CE 3.31Å; Y34-K42 WeakPolarHBondContact O-CE 3.34Å; Y34-V63 HydrophobicContact CD2-CB 4.17Å; Y34-V63 HydrophobicContact CE2-CB 3.89Å; Y34-V63 HydrophobicContact CE2-CG1 3.89Å; Y34-Y65 AromaticContact CE2-CE2 3.78Å; Y34-Y65 HydrophobicContact CE2-CE2 3.78Å; Y34-Y65 AromaticContact CZ-CE2 3.83Å; Y34-Y65 WeakPolarHBondContact OH-CE2 3.34Å; Y34-Y65 PolarHBondContact OH-OH 3.16Å; Y34-H101 AromaticContact CE1-ND1 3.78Å; Y34-H101 AromaticContact CZ-ND1 3.67Å; Y34-H101 WeakPolarHBondContact OH-CB 3.44Å; Y34-H101 PolarHBondContact OH-ND1 2.88Å
35E95Very high94.7Very high86 Ų8634 Ų3440%0.40222%0.224SC..  trans-68.8144.5163.8-175.6-177.6-139.700110.8G37 S38 D40 K42E35-G37 PolarHBondContact O-N 2.87Å; E35-G37 VanDerWaalsContact O-N 3.16Å; E35-S38 WeakPolarHBondContact O-CA 3.48Å; E35-S38 WeakPolarHBondContact O-CB 3.45Å; E35-S38 PolarHBondContact O-N 3Å; E35-D40 PolarHBondContact N-O 3.17Å; E35-K42 HydrophobicContact CB-CD 4.22Å
36D90.3Very high95Very high118 Ų11835.4 Ų35.463%0.63123%0.234SC*.THydrogen-bonded Turntrans-67.7111.4-166.7-55-91.2000111.7K42D36-K42 IonicContact OD2-NZ 2.68Å; D36-K42 PolarHBondContact OD2-NZ 3.19Å
37G86.2Confident95.3Very high97 Ų9733.2 Ų33.2100%122%0.217SC*.THydrogen-bonded Turntrans848.9-172.800000115E35E35-G37 PolarHBondContact O-N 2.87Å; E35-G37 VanDerWaalsContact O-N 3.16Å
38S92.2Very high95.3Very high37 Ų3738.9 Ų38.926%0.25924%0.241SC..SBendtrans-119.6170.8-176.1-166.90000112.7E35 D40 R94E35-S38 WeakPolarHBondContact O-CA 3.48Å; E35-S38 WeakPolarHBondContact O-CB 3.45Å; E35-S38 PolarHBondContact O-N 3Å; S38-D40 PolarHBondContact OG-N 2.92Å; S38-D40 VanDerWaalsContact OG-N 3.17Å; S38-R94 PolarHBondContact O-NH2 3.04Å
39D94.2Very high95.1Very high40 Ų4039.4 Ų39.421%0.21425%0.253CS..SBendtrans-109.21.2166.4-74.5-31.3000112.1V4 S5 R94V4-D39 WeakPolarHBondContact CA-O 3.23Å; S5-D39 PolarHBondContact N-O 3.42Å; D39-R94 IonicContact OD1-CZ 2.69Å; D39-R94 IonicContact OD1-NH1 3.37Å; D39-R94 PolarHBondContact OD1-NH1 3.14Å; D39-R94 IonicContact OD1-NH2 2.71Å; D39-R94 PolarHBondContact OD1-NH2 3.35Å
40D95.2Very high94.9Very high16 Ų1639.6 Ų39.69%0.08626%0.255CS..BIsolated β-bridgetrans-75.5140.3169.7-132.2-59.4000110.4S5 S7 G8 E35 S38S5-D40 VanDerWaalsContact CB-CG 3.48Å; S5-D40 WeakPolarHBondContact CB-OD2 3.48Å; S5-D40 WeakPolarHBondContact O-CA 3.2Å; S5-D40 PolarHBondContact OG-OD2 3.39Å; S7-D40 PolarHBondContact N-OD1 2.56Å; S7-D40 PolarHBondContact N-OD2 2.69Å; S7-D40 PolarHBondContact OG-OD2 2.71Å; G8-D40 PolarHBondContact N-OD1 3.13Å; G8-D40 PolarHBondContact N-OD2 2.78Å; G8-D40 VanDerWaalsContact N-OD2 3.15Å; E35-D40 PolarHBondContact N-O 3.17Å; S38-D40 PolarHBondContact OG-N 2.92Å; S38-D40 VanDerWaalsContact OG-N 3.17Å
41L96.5Very high94.6Very high0 Ų040.4 Ų40.40%026%0.26CS..EExtended strand (participates in β ladder)trans-95.6137-176.7-163.975.7000110.1V4 S5 F6 H9 L13 Y32 T33 Y34 Y65 F109V4-L41 HydrophobicContact CG2-CB 4.36Å; S5-L41 PolarHBondContact O-N 3.38Å; F6-L41 HydrophobicContact CD1-CB 4.35Å; F6-L41 HydrophobicContact CD1-CD2 4.24Å; F6-L41 HydrophobicContact CE1-CD2 4.14Å; H9-L41 WeakPolarHBondContact CB-O 2.98Å; L13-L41 HydrophobicContact CD1-CB 4.23Å; L13-L41 HydrophobicContact CD2-CD2 4.24Å; L13-L41 HydrophobicContact CD2-CG 4.26Å; Y32-L41 HydrophobicContact CG-CD2 4.37Å; T33-L41 WeakPolarHBondContact O-CD1 3.32Å; Y34-L41 HydrophobicContact CD1-CD1 4.48Å; L41-Y65 HydrophobicContact CD1-CD2 3.81Å; L41-Y65 HydrophobicContact CD1-CE2 4.07Å; L41-Y65 HydrophobicContact CD2-CD2 4.45Å; L41-F109 HydrophobicContact CD2-CE2 4.39Å
42K96.6Very high94.4Very high48 Ų4847.9 Ų47.921%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-123.4158.5176.364.2-178.2174.6-171.60111.4Y32 T33 Y34 E35 D36Y32-K42 CarbonylContact C-O 3.59Å; Y32-K42 VanDerWaalsContact CA-O 3.32Å; Y32-K42 WeakPolarHBondContact CA-O 3.37Å; T33-K42 HydrophobicContact CG2-CG 4.07Å; T33-K42 PolarHBondContact N-O 2.97Å; T33-K42 WeakPolarHBondContact O-CG 3.27Å; T33-K42 PolarHBondContact O-N 2.96Å; Y34-K42 VanDerWaalsContact O-CE 3.31Å; Y34-K42 WeakPolarHBondContact O-CE 3.34Å; E35-K42 HydrophobicContact CB-CD 4.22Å; D36-K42 IonicContact OD2-NZ 2.68Å; D36-K42 PolarHBondContact OD2-NZ 3.19Å
43L97.2Very high94.3Very high42 Ų4251.8 Ų51.822%0.2231%0.313CS..EExtended strand (participates in β ladder)trans-69139.4166.7-174.267.3000109.2E12 A16 A30 Y32E12-L43 HydrophobicContact CG-CB 3.91Å; E12-L43 HydrophobicContact CG-CD2 4.15Å; A16-L43 HydrophobicContact CB-CD1 3.63Å; A16-L43 HydrophobicContact CB-CD2 3.96Å; A16-L43 HydrophobicContact CB-CG 4.45Å; A30-L43 HydrophobicContact CB-CD1 4.41Å; Y32-L43 HydrophobicContact CD1-CD1 3.9Å; Y32-L43 HydrophobicContact CE1-CD1 3.69Å
44A96.9Very high94.2Very high49 Ų4951.4 Ų51.441%0.40531%0.311SS..EExtended strand (participates in β ladder)trans-107.1-47174.400000111.1L31 T33 M64L31-A44 HydrophobicContact CD2-CB 4.42Å; L31-A44 HydrophobicContact CG-CB 4.16Å; L31-A44 WeakPolarHBondContact O-CA 3.47Å; L31-A44 WeakPolarHBondContact O-CB 3.27Å; L31-A44 PolarHBondContact O-N 2.84Å; T33-A44 HydrophobicContact CG2-CB 3.95Å; A44-M64 HydrophobicContact CB-CE 4.13Å
45A96.6Very high94.1Very high24 Ų2451.1 Ų51.120%0.19831%0.311CS..EExtended strand (participates in β ladder)trans-161.8166.9176.500000111W29 L31W29-A45 HydrophobicContact CH2-CB 3.6Å; W29-A45 HydrophobicContact CZ3-CB 3.73Å; L31-A45 PolarHBondContact N-O 3.2Å; L31-A45 PolarHBondContact O-N 2.77Å
46S96.6Very high94.1Very high56 Ų5650.2 Ų50.239%0.39233%0.325SS..EExtended strand (participates in β ladder)trans-149.4158.7167.549.90000109.4W29W29-S46 VanDerWaalsContact O-CA 3.28Å; W29-S46 WeakPolarHBondContact O-CA 3.12Å; W29-S46 VanDerWaalsContact O-CB 3.3Å; W29-S46 WeakPolarHBondContact O-CB 3.27Å
47G94.9Very high94.4Very high13 Ų1348.7 Ų48.713%0.13431%0.314CS..EExtended strand (participates in β ladder)trans-169.5-170.6-174.200000114.5A27 D28 W29A27-G47 CarbonylContact C-O 3.54Å; A27-G47 VanDerWaalsContact CA-O 3.25Å; A27-G47 WeakPolarHBondContact CA-O 3.39Å; D28-G47 PolarHBondContact N-O 3.18Å; W29-G47 VanDerWaalsContact CE2-CA 3.5Å; W29-G47 PolarHBondContact N-O 2.84Å; W29-G47 VanDerWaalsContact NE1-C 3.33Å; W29-G47 PolarHBondContact O-N 3.06Å; W29-G47 VanDerWaalsContact O-N 3.08Å
48E94.8Very high94.9Very high136 Ų13645.1 Ų45.164%0.63627%0.27SS*.SBendtrans-124.3-1.9-167.3-49-174176.100113.2A26 D28 E53A26-E48 VanDerWaalsContact CB-CD 3.42Å; A26-E48 HydrophobicContact CB-CG 4.15Å; A26-E48 VanDerWaalsContact CB-OE1 3.3Å; A26-E48 WeakPolarHBondContact CB-OE1 3.3Å; D28-E48 WeakPolarHBondContact OD1-CA 3.42Å; E48-E53 PolarHBondContact N-OE2 3.21Å; E48-E53 VanDerWaalsContact N-OE2 3.08Å
49G90.6Very high95.1Very high40 Ų4047 Ų4741%0.41228%0.275SS..SBendtrans-94.416.4-179.600000115.3Q52 E53G49-Q52 PolarHBondContact O-N 3.48Å; G49-E53 WeakPolarHBondContact CA-OE2 3.33Å; G49-E53 PolarHBondContact N-OE2 2.95Å; G49-E53 PolarHBondContact O-N 3.18Å
50G92.3Very high95.2Very high6 Ų648.2 Ų48.26%0.06228%0.282CS..Hα-helixtrans53.2-148.7176.700000115.2D28 Q52 E53 L54D28-G50 VanDerWaalsContact CG-CA 3.48Å; D28-G50 VanDerWaalsContact OD1-CA 3.27Å; D28-G50 WeakPolarHBondContact OD1-CA 3.37Å; D28-G50 PolarHBondContact OD1-N 2.83Å; D28-G50 WeakPolarHBondContact OD2-CA 3.38Å; D28-G50 PolarHBondContact OD2-N 2.91Å; G50-Q52 PolarHBondContact O-N 2.79Å; G50-E53 PolarHBondContact O-N 3.16Å; G50-L54 VanDerWaalsContact O-CB 3.27Å; G50-L54 WeakPolarHBondContact O-CB 3.5Å; G50-L54 PolarHBondContact O-N 3.46Å
51L92.6Very high95.2Very high18 Ų1854.4 Ų54.49%0.09431%0.31CS..Hα-helixtrans-54.2-27.4-179.9-66.8174.7000113.9L54 S55 C68 V70 I83 A126 I129L51-L54 HydrophobicContact CD2-CD2 4.45Å; L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.29Å; L51-S55 PolarHBondContact O-N 2.88Å; L51-S55 VanDerWaalsContact O-N 3.13Å; L51-S55 PolarHBondContact O-OG 2.86Å; L51-C68 HydrophobicContact CD2-CB 3.81Å; L51-V70 HydrophobicContact CD1-CG2 4.05Å; L51-V70 HydrophobicContact CG-CG2 4.29Å; L51-I83 HydrophobicContact CD2-CD1 3.85Å; L51-A126 HydrophobicContact CD1-CB 3.88Å; L51-I129 HydrophobicContact CD1-CB 4.38Å; L51-I129 HydrophobicContact CD1-CD1 4.2Å; L51-I129 HydrophobicContact CD1-CG2 4.1Å; L51-I129 HydrophobicContact CD2-CD1 4.4Å
52Q92.6Very high95.1Very high157 Ų15757.2 Ų57.273%0.73432%0.322SS*.Hα-helixtrans-82.8-30-175.9-177.459.791.900113G49 G50 S55G49-Q52 PolarHBondContact O-N 3.48Å; G50-Q52 PolarHBondContact O-N 2.79Å; Q52-S55 PolarHBondContact O-OG 2.9Å
53E95Very high95.1Very high82 Ų8255.2 Ų55.238%0.38331%0.314SS..Hα-helixtrans-81.9-47.2171-175.6178.2-131.500110.2W29 E48 G49 G50 S55 G56 H57W29-E53 HydrophobicContact CZ2-CB 4.48Å; W29-E53 HydrophobicContact CZ2-CG 3.76Å; W29-E53 PolarHBondContact NE1-OE2 2.85Å; E48-E53 PolarHBondContact N-OE2 3.21Å; E48-E53 VanDerWaalsContact N-OE2 3.08Å; G49-E53 WeakPolarHBondContact CA-OE2 3.33Å; G49-E53 PolarHBondContact N-OE2 2.95Å; G49-E53 PolarHBondContact O-N 3.18Å; G50-E53 PolarHBondContact O-N 3.16Å; E53-S55 PolarHBondContact O-N 2.95Å; E53-G56 PolarHBondContact O-N 2.82Å; E53-H57 PolarHBondContact O-CD2 3.04Å
54L95.9Very high95.2Very high0 Ų053.2 Ų53.20%030%0.304CS..Hα-helixtrans-50.3-41.9175.4173.360.5000112.7W29 L31 G50 L51 G56 H57 F58 C68 I83W29-L54 HydrophobicContact CB-CB 4.19Å; W29-L54 HydrophobicContact CB-CD2 4.17Å; W29-L54 HydrophobicContact CD2-CB 3.86Å; W29-L54 HydrophobicContact CD2-CD1 4.14Å; W29-L54 HydrophobicContact CE3-CB 4.18Å; W29-L54 HydrophobicContact CE3-CD1 3.57Å; W29-L54 HydrophobicContact CE3-CG 4.41Å; W29-L54 HydrophobicContact CG-CB 3.87Å; W29-L54 HydrophobicContact CZ3-CD1 4.1Å; L31-L54 HydrophobicContact CB-CD1 3.94Å; L31-L54 HydrophobicContact CD1-CD1 4.07Å; L31-L54 HydrophobicContact CG-CD1 4.4Å; G50-L54 VanDerWaalsContact O-CB 3.27Å; G50-L54 WeakPolarHBondContact O-CB 3.5Å; G50-L54 PolarHBondContact O-N 3.46Å; L51-L54 HydrophobicContact CD2-CD2 4.45Å; L54-G56 PolarHBondContact O-N 3.23Å; L54-H57 PolarHBondContact O-N 3Å; L54-H57 VanDerWaalsContact O-N 3.09Å; L54-F58 HydrophobicContact CD1-CE2 4.18Å; L54-F58 HydrophobicContact CD1-CZ 3.89Å; L54-F58 HydrophobicContact CD2-CZ 4.49Å; L54-F58 HydrophobicContact CG-CE2 3.91Å; L54-F58 HydrophobicContact CG-CZ 3.96Å; L54-F58 WeakPolarHBondContact O-CD2 3.42Å; L54-F58 WeakPolarHBondContact O-CE2 3.25Å; L54-C68 HydrophobicContact CD2-CB 3.98Å; L54-I83 HydrophobicContact CD2-CD1 3.8Å
55S94.8Very high95.2Very high9 Ų950.9 Ų50.96%0.06329%0.285CS..G310 helixtrans-65.1-24-179.464.10000114L51 Q52 E53L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.29Å; L51-S55 PolarHBondContact O-N 2.88Å; L51-S55 VanDerWaalsContact O-N 3.13Å; L51-S55 PolarHBondContact O-OG 2.86Å; Q52-S55 PolarHBondContact O-OG 2.9Å; E53-S55 PolarHBondContact O-N 2.95Å
56G94.4Very high95.2Very high67 Ų6749.8 Ų49.869%0.69128%0.275SS*.G310 helixtrans-81.9-8174.200000114.9E53 L54E53-G56 PolarHBondContact O-N 2.82Å; L54-G56 PolarHBondContact O-N 3.23Å
57H96.5Very high95.3Very high86 Ų8647.1 Ų47.140%0.39826%0.257SS..G310 helixtrans-100.9-1.7-178.8-79.5-77.6000114.5W29 L31 E53 L54W29-H57 HydrophobicContact CH2-CB 4.25Å; W29-H57 AromaticContact CH2-CD2 3.34Å; W29-H57 WeakPolarHBondContact CH2-CD2 3.48Å; W29-H57 AromaticContact CH2-CG 3.77Å; W29-H57 AromaticContact CH2-NE2 3.81Å; W29-H57 AromaticContact CZ2-CD2 3.56Å; W29-H57 AromaticContact CZ2-NE2 3.89Å; L31-H57 HydrophobicContact CD2-CB 3.63Å; L31-H57 VanDerWaalsContact CD2-O 3.27Å; L31-H57 WeakPolarHBondContact CD2-O 3.4Å; E53-H57 PolarHBondContact O-CD2 3.04Å; L54-H57 PolarHBondContact O-N 3Å; L54-H57 VanDerWaalsContact O-N 3.09Å
58F96.8Very high95.3Very high21 Ų2146.5 Ų46.59%0.09225%0.25CS..  trans-76.2146.8176.4-68.8-69.6000112.9L31 L54 M64 I83 W85 I124L31-F58 HydrophobicContact CD1-CD1 3.78Å; L31-F58 HydrophobicContact CD1-CE1 3.34Å; L31-F58 HydrophobicContact CD1-CZ 4.08Å; L54-F58 HydrophobicContact CD1-CE2 4.18Å; L54-F58 HydrophobicContact CD1-CZ 3.89Å; L54-F58 HydrophobicContact CD2-CZ 4.49Å; L54-F58 HydrophobicContact CG-CE2 3.91Å; L54-F58 HydrophobicContact CG-CZ 3.96Å; L54-F58 WeakPolarHBondContact O-CD2 3.42Å; L54-F58 WeakPolarHBondContact O-CE2 3.25Å; F58-M64 HydrophobicContact CD1-CB 4.08Å; F58-M64 HydrophobicContact CD1-SD 4.11Å; F58-M64 HydrophobicContact CE1-CB 4.3Å; F58-I83 HydrophobicContact CE1-CG2 4.24Å; F58-I83 HydrophobicContact CE2-CG2 4.35Å; F58-I83 HydrophobicContact CZ-CB 4.18Å; F58-I83 HydrophobicContact CZ-CD1 4.31Å; F58-I83 HydrophobicContact CZ-CG2 3.69Å; F58-W85 HydrophobicContact CB-CD2 3.65Å; F58-W85 HydrophobicContact CB-CE3 3.87Å; F58-W85 HydrophobicContact CB-CG 4.2Å; F58-W85 HydrophobicContact CB-CH2 3.94Å; F58-W85 HydrophobicContact CB-CZ2 3.73Å; F58-W85 HydrophobicContact CB-CZ3 4Å; F58-W85 HydrophobicContact CD1-CB 3.5Å; F58-W85 VanDerWaalsContact CD1-CB 3.5Å; F58-W85 AromaticContact CD1-CD1 3.91Å; F58-W85 AromaticContact CD1-CD2 3.6Å; F58-W85 HydrophobicContact CD1-CD2 3.6Å; F58-W85 AromaticContact CD1-CE3 3.93Å; F58-W85 HydrophobicContact CD1-CE3 3.93Å; F58-W85 AromaticContact CD1-CG 3.37Å; F58-W85 HydrophobicContact CD1-CG 3.37Å; F58-W85 HydrophobicContact CD2-CD2 4.35Å; F58-W85 AromaticContact CD2-CE3 3.91Å; F58-W85 HydrophobicContact CD2-CE3 3.91Å; F58-W85 HydrophobicContact CD2-CZ3 4.18Å; F58-W85 HydrophobicContact CE1-CB 3.5Å; F58-W85 HydrophobicContact CE1-CD2 4.34Å; F58-W85 HydrophobicContact CE1-CE3 4.46Å; F58-W85 AromaticContact CE1-CG 3.94Å; F58-W85 HydrophobicContact CE1-CG 3.94Å; F58-W85 HydrophobicContact CE2-CE3 4.46Å; F58-W85 HydrophobicContact CG-CB 4.39Å; F58-W85 AromaticContact CG-CD2 3.61Å; F58-W85 HydrophobicContact CG-CD2 3.61Å; F58-W85 AromaticContact CG-CE3 3.64Å; F58-W85 HydrophobicContact CG-CE3 3.64Å; F58-W85 AromaticContact CG-CG 3.94Å; F58-W85 HydrophobicContact CG-CG 3.94Å; F58-W85 HydrophobicContact CG-CZ3 4.1Å; F58-W85 HydrophobicContact CZ-CB 4.41Å; F58-I124 HydrophobicContact CD2-CD1 3.67Å; F58-I124 HydrophobicContact CE2-CD1 3.37Å; F58-I124 HydrophobicContact CZ-CD1 4.23Å
59E96.1Very high95.3Very high76 Ų7640.4 Ų40.436%0.35522%0.223SC..  trans-116.4126.3179-63.6-177.9-120.800111Q61 K62 M64 W85E59-Q61 PolarHBondContact O-N 3.33Å; E59-Q61 VanDerWaalsContact O-N 3.13Å; E59-K62 HydrophobicContact CB-CB 4.32Å; E59-K62 HydrophobicContact CB-CD 4.41Å; E59-K62 HydrophobicContact CB-CG 4.46Å; E59-K62 PolarHBondContact O-N 3.41Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-K62 IonicContact OE1-NZ 2.67Å; E59-K62 PolarHBondContact OE1-NZ 3.46Å; E59-K62 WeakPolarHBondContact OE2-CE 3.37Å; E59-K62 IonicContact OE2-NZ 3.48Å; E59-K62 PolarHBondContact OE2-NZ 2.95Å; E59-M64 HydrophobicContact CB-SD 4.02Å; E59-M64 HydrophobicContact CG-CE 4.38Å; E59-M64 HydrophobicContact CG-SD 4.31Å; E59-M64 PolarHBondContact N-SD 3Å; E59-W85 PolarHBondContact O-NE1 3.25Å
60N95.8Very high95.3Very high66 Ų6639.8 Ų39.835%0.35321%0.211SC..THydrogen-bonded Turntrans-61.1-23.3178.9-68.328000113.4G87 E88 D89N60-G87 CarbonylContact O-C 3.46Å; N60-G87 WeakPolarHBondContact O-CA 3.39Å; N60-E88 PolarHBondContact O-N 2.94Å; N60-D89 WeakPolarHBondContact CB-OD2 3.48Å; N60-D89 PolarHBondContact O-N 3.22Å; N60-D89 VanDerWaalsContact O-N 3.12Å
61Q95.7Very high95Very high146 Ų14645.6 Ų45.668%0.68224%0.235SC*.THydrogen-bonded Turntrans-86.8-1.9-178.6-63.1179.75.300114E59 D89E59-Q61 PolarHBondContact O-N 3.33Å; E59-Q61 VanDerWaalsContact O-N 3.13Å; Q61-D89 HydrophobicContact CG-CB 3.92Å
62K95.5Very high94.3Very high59 Ų5946.6 Ų46.626%0.25724%0.24SC..SBendtrans-130.1154.3-173.9-66.9178.6-178.7140.90112.8E59 M64 G87 V90E59-K62 HydrophobicContact CB-CB 4.32Å; E59-K62 HydrophobicContact CB-CD 4.41Å; E59-K62 HydrophobicContact CB-CG 4.46Å; E59-K62 PolarHBondContact O-N 3.41Å; E59-K62 VanDerWaalsContact O-N 3.16Å; E59-K62 IonicContact OE1-NZ 2.67Å; E59-K62 PolarHBondContact OE1-NZ 3.46Å; E59-K62 WeakPolarHBondContact OE2-CE 3.37Å; E59-K62 IonicContact OE2-NZ 3.48Å; E59-K62 PolarHBondContact OE2-NZ 2.95Å; K62-M64 HydrophobicContact CB-CG 3.93Å; K62-M64 HydrophobicContact CB-SD 4.35Å; K62-G87 PolarHBondContact O-N 3.23Å; K62-V90 VanDerWaalsContact C-CG2 3.41Å
63V96.5Very high93.4Very high6 Ų644.8 Ų44.84%0.03624%0.244CC..EExtended strand (participates in β ladder)trans-89.1131.3160.5-176.70000107.4T33 Y34 W85 V86 V90 C98T33-V63 PolarHBondContact OG1-O 3.43Å; Y34-V63 HydrophobicContact CD2-CB 4.17Å; Y34-V63 HydrophobicContact CE2-CB 3.89Å; Y34-V63 HydrophobicContact CE2-CG1 3.89Å; V63-W85 WeakPolarHBondContact CA-O 3.31Å; V63-W85 WeakPolarHBondContact CG1-O 3.48Å; V63-V86 HydrophobicContact CG1-CG2 4.46Å; V63-V86 HydrophobicContact CG2-CG1 4.5Å; V63-V90 HydrophobicContact CG2-CB 4.5Å; V63-V90 HydrophobicContact CG2-CG1 3.77Å; V63-V90 HydrophobicContact CG2-CG2 4.09Å; V63-C98 HydrophobicContact CB-CB 4.42Å; V63-C98 HydrophobicContact CG1-CB 3.93Å; V63-C98 HydrophobicContact CG2-CB 4.15Å
64M97.6Very high92.2Very high1 Ų149.3 Ų49.31%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-139.8160-174.6-49.217992.500110.3L31 Y32 T33 A44 F58 E59 K62 W85L31-M64 HydrophobicContact CD1-CB 3.89Å; L31-M64 HydrophobicContact CD1-CE 4.42Å; L31-M64 HydrophobicContact CD2-CE 3.72Å; L31-M64 HydrophobicContact CD2-SD 4.43Å; L31-M64 HydrophobicContact CG-CE 4.06Å; Y32-M64 CarbonylContact O-C 3.58Å; Y32-M64 VanDerWaalsContact O-CA 3.25Å; Y32-M64 WeakPolarHBondContact O-CA 3.28Å; Y32-M64 WeakPolarHBondContact O-CB 3.3Å; T33-M64 HydrophobicContact CG2-CE 4.5Å; A44-M64 HydrophobicContact CB-CE 4.13Å; F58-M64 HydrophobicContact CD1-CB 4.08Å; F58-M64 HydrophobicContact CD1-SD 4.11Å; F58-M64 HydrophobicContact CE1-CB 4.3Å; E59-M64 HydrophobicContact CB-SD 4.02Å; E59-M64 HydrophobicContact CG-CE 4.38Å; E59-M64 HydrophobicContact CG-SD 4.31Å; E59-M64 PolarHBondContact N-SD 3Å; K62-M64 HydrophobicContact CB-CG 3.93Å; K62-M64 HydrophobicContact CB-SD 4.35Å; M64-W85 HydrophobicContact CB-CB 4.14Å; M64-W85 HydrophobicContact CB-CG 4.39Å; M64-W85 PolarHBondContact N-O 3.31Å; M64-W85 WeakPolarHBondContact O-CB 3.47Å; M64-W85 PolarHBondContact O-N 3.09Å
65Y97.9Very high91Very high0 Ų051.1 Ų51.10%028%0.28CS..EExtended strand (participates in β ladder)trans-128.6110178.1-58.7-72.7000109Y32 Y34 L41 I83 N84 V102 V105Y32-Y65 VanDerWaalsContact CD2-O 3.29Å; Y32-Y65 WeakPolarHBondContact CD2-O 3.41Å; Y32-Y65 PolarHBondContact N-O 3.15Å; Y32-Y65 PolarHBondContact O-N 3.17Å; Y34-Y65 AromaticContact CE2-CE2 3.78Å; Y34-Y65 HydrophobicContact CE2-CE2 3.78Å; Y34-Y65 AromaticContact CZ-CE2 3.83Å; Y34-Y65 WeakPolarHBondContact OH-CE2 3.34Å; Y34-Y65 PolarHBondContact OH-OH 3.16Å; L41-Y65 HydrophobicContact CD1-CD2 3.81Å; L41-Y65 HydrophobicContact CD1-CE2 4.07Å; L41-Y65 HydrophobicContact CD2-CD2 4.45Å; Y65-I83 CarbonylContact C-O 3.51Å; Y65-I83 VanDerWaalsContact CA-O 3.31Å; Y65-I83 WeakPolarHBondContact CA-O 3.18Å; Y65-N84 HydrophobicContact CE1-CB 4.48Å; Y65-N84 VanDerWaalsContact CE1-OD1 3.31Å; Y65-N84 WeakPolarHBondContact CE1-OD1 3.45Å; Y65-V102 HydrophobicContact CE1-CG2 4.33Å; Y65-V105 HydrophobicContact CD1-CG1 4.02Å; Y65-V105 HydrophobicContact CD2-CG1 4.16Å; Y65-V105 HydrophobicContact CD2-CG2 4.15Å; Y65-V105 HydrophobicContact CE1-CG2 4.39Å; Y65-V105 HydrophobicContact CE2-CG2 3.93Å; Y65-V105 HydrophobicContact CG-CG1 3.82Å; Y65-V105 HydrophobicContact CG-CG2 4.49Å
66G97.4Very high90Very high0 Ų055.7 Ų55.70%032%0.319CS..EExtended strand (participates in β ladder)trans-93120.6174.200000110.3L82 I83G66-L82 CarbonylContact O-C 3.57Å; G66-L82 WeakPolarHBondContact O-CA 3.26Å; G66-I83 PolarHBondContact N-O 2.77Å; G66-I83 PolarHBondContact O-N 3.45Å
67F97.3Very high89.5Confident0 Ų058.4 Ų58.40%032%0.317CS..EExtended strand (participates in β ladder)trans-104.5123.6170.8-174.5-98.2000109Y17 V20 I21 W29 A30 Y32 Y80 V81 F109 V112Y17-F67 AromaticContact CD2-CD1 3.8Å; Y17-F67 HydrophobicContact CD2-CD1 3.8Å; Y17-F67 AromaticContact CD2-CE1 3.78Å; Y17-F67 HydrophobicContact CD2-CE1 3.78Å; Y17-F67 HydrophobicContact CD2-CG 4.23Å; Y17-F67 HydrophobicContact CD2-CZ 4.19Å; Y17-F67 AromaticContact CE2-CD1 3.8Å; Y17-F67 HydrophobicContact CE2-CD1 3.8Å; Y17-F67 HydrophobicContact CE2-CD2 4.05Å; Y17-F67 AromaticContact CE2-CE1 3.42Å; Y17-F67 HydrophobicContact CE2-CE1 3.42Å; Y17-F67 VanDerWaalsContact CE2-CE1 3.42Å; Y17-F67 AromaticContact CE2-CE2 3.69Å; Y17-F67 HydrophobicContact CE2-CE2 3.69Å; Y17-F67 HydrophobicContact CE2-CG 4.1Å; Y17-F67 AromaticContact CE2-CZ 3.36Å; Y17-F67 HydrophobicContact CE2-CZ 3.36Å; V20-F67 HydrophobicContact CB-CD1 4.19Å; V20-F67 HydrophobicContact CB-CE1 4.32Å; V20-F67 HydrophobicContact CG1-CD1 3.7Å; V20-F67 HydrophobicContact CG1-CE1 3.77Å; I21-F67 HydrophobicContact CG1-CE1 4.4Å; W29-F67 CarbonylContact C-O 3.56Å; W29-F67 VanDerWaalsContact CA-O 3.3Å; W29-F67 WeakPolarHBondContact CA-O 3.3Å; A30-F67 PolarHBondContact N-O 3.33Å; A30-F67 PolarHBondContact O-N 3.18Å; Y32-F67 HydrophobicContact CE2-CB 4Å; F67-Y80 AromaticContact CE1-CD1 3.55Å; F67-Y80 HydrophobicContact CE1-CD1 3.55Å; F67-Y80 HydrophobicContact CE1-CE1 4.18Å; F67-Y80 HydrophobicContact CE1-CG 4.26Å; F67-Y80 HydrophobicContact CE2-CD1 4.37Å; F67-Y80 HydrophobicContact CE2-CG 4.33Å; F67-Y80 AromaticContact CZ-CD1 3.34Å; F67-Y80 HydrophobicContact CZ-CD1 3.34Å; F67-Y80 HydrophobicContact CZ-CE1 4.24Å; F67-Y80 AromaticContact CZ-CG 3.58Å; F67-Y80 HydrophobicContact CZ-CG 3.58Å; F67-V81 WeakPolarHBondContact CA-O 3.44Å; F67-F109 HydrophobicContact CD2-CB 4.34Å; F67-F109 HydrophobicContact CE2-CB 4.48Å; F67-V112 HydrophobicContact CD2-CG2 4.2Å; F67-V112 HydrophobicContact CE2-CG2 3.83Å
68C95.8Very high89.1Confident1 Ų155.2 Ų55.21%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-131.9133.3-174.5-166.50000111.5D28 W29 L51 L54 V81D28-C68 CarbonylContact O-C 3.6Å; D28-C68 WeakPolarHBondContact O-CA 3.44Å; W29-C68 HydrophobicContact CB-CB 4.35Å; L51-C68 HydrophobicContact CD2-CB 3.81Å; L54-C68 HydrophobicContact CD2-CB 3.98Å; C68-V81 PolarHBondContact N-O 3.28Å; C68-V81 PolarHBondContact O-N 2.94Å
69S93.9Very high88.8Confident7 Ų755.1 Ų55.15%0.04930%0.303CS..EExtended strand (participates in β ladder)trans-84121.7168.2-171.40000109.2D28 P78D28-S69 PolarHBondContact O-N 2.93Å; S69-P78 WeakPolarHBondContact OG-CB 3.37Å
70V91.3Very high88.7Confident28 Ų2853 Ų5317%0.1729%0.292CS..EExtended strand (participates in β ladder)trans-115.5108.2-179.4-179.10000109.1L51 D72 K79 V81 L133L51-V70 HydrophobicContact CD1-CG2 4.05Å; L51-V70 HydrophobicContact CG-CG2 4.29Å; V70-D72 PolarHBondContact O-N 3.28Å; V70-K79 PolarHBondContact N-O 3.14Å; V70-K79 PolarHBondContact O-N 3.45Å; V70-V81 HydrophobicContact CB-CG2 4.5Å; V70-V81 HydrophobicContact CG2-CG2 3.66Å; V70-L133 HydrophobicContact CB-CD1 3.85Å; V70-L133 HydrophobicContact CG1-CD1 3.89Å; V70-L133 HydrophobicContact CG2-CD1 4.25Å
71K85.9Confident88.7Confident128 Ų12849.9 Ų49.956%0.55728%0.275SS*.  trans-84.987.7179.7-68.2167.7-175.5165.50109.7S73 P78K71-S73 PolarHBondContact O-N 3.13Å; K71-P78 HydrophobicContact CG-CB 4.22Å
72D77.6Confident88.7Confident39 Ų3942.9 Ų42.921%0.20924%0.243CC..  trans-68.7118.8174.5171.60.4000110.6V70 Q74 A75 K79 S134V70-D72 PolarHBondContact O-N 3.28Å; D72-Q74 PolarHBondContact O-N 2.95Å; D72-Q74 PolarHBondContact OD1-N 2.78Å; D72-A75 HydrophobicContact CB-CB 3.94Å; D72-A75 PolarHBondContact O-N 3.16Å; D72-K79 IonicContact OD2-NZ 3.24Å; D72-K79 PolarHBondContact OD2-NZ 2.96Å; D72-S134 PolarHBondContact OD2-OG 3.42Å
73S74.6Confident88.8Confident118 Ų11840.1 Ų40.183%0.82523%0.231SC*.THydrogen-bonded Turntrans-62.8-3.8-179-52.80000115.3K71K71-S73 PolarHBondContact O-N 3.13Å
74Q68.4Low88.9Confident178 Ų17840.3 Ų40.383%0.83223%0.232SC*.THydrogen-bonded Turntrans-105.3-8.2170.3-61.3-64.1-91.400113.3D72D72-Q74 PolarHBondContact O-N 2.95Å; D72-Q74 PolarHBondContact OD1-N 2.78Å
75A71Confident88.9Confident37 Ų3740.3 Ų40.331%0.30623%0.232SC..  trans-101.1140.717800000111.1D72 L77D72-A75 HydrophobicContact CB-CB 3.94Å; D72-A75 PolarHBondContact O-N 3.16Å; A75-L77 WeakPolarHBondContact CB-O 3.35Å; A75-L77 PolarHBondContact O-N 3.2Å
76A73.5Confident88.8Confident105 Ų10541.9 Ų41.987%0.86824%0.241SC*.SBendtrans-83.10.9175.400000113.6
77L83.9Confident88.8Confident125 Ų12541.9 Ų41.965%0.65424%0.241SC*.SBendtrans-139.9147.1-179.1-66.7173.5000108.9A75A75-L77 WeakPolarHBondContact CB-O 3.35Å; A75-L77 PolarHBondContact O-N 3.2Å
78P88.1Confident88.6Confident19 Ų1947.2 Ų47.212%0.12327%0.266CS..  trans-62.1149.1169.428-34.6000111.1E23 S69 K71 Y80E23-P78 WeakPolarHBondContact OE1-CD 3.08Å; S69-P78 WeakPolarHBondContact OG-CB 3.37Å; K71-P78 HydrophobicContact CG-CB 4.22Å; P78-Y80 HydrophobicContact CG-CE2 4.44Å; P78-Y80 WeakPolarHBondContact CG-OH 3.38Å
79K91.6Very high88.6Confident18 Ų1852 Ų528%0.07829%0.292CS..EExtended strand (participates in β ladder)trans-111.4147.8172-63.6175.2-174.1165.20109.9V70 D72 D113 L133V70-K79 PolarHBondContact N-O 3.14Å; V70-K79 PolarHBondContact O-N 3.45Å; D72-K79 IonicContact OD2-NZ 3.24Å; D72-K79 PolarHBondContact OD2-NZ 2.96Å; K79-D113 WeakPolarHBondContact CA-OD2 3.31Å; K79-D113 WeakPolarHBondContact CB-OD2 3.46Å; K79-L133 HydrophobicContact CB-CD1 4.11Å; K79-L133 HydrophobicContact CB-CD2 3.95Å; K79-L133 HydrophobicContact CD-CB 3.86Å; K79-L133 HydrophobicContact CD-CD1 4.37Å; K79-L133 HydrophobicContact CD-CD2 4.19Å; K79-L133 HydrophobicContact CD-CG 4.38Å; K79-L133 PolarHBondContact NZ-O 3.45Å
80Y93.5Very high88.7Confident32 Ų3252 Ų5213%0.12529%0.291CS..EExtended strand (participates in β ladder)trans-112.7128.3-172.2-61-76.9000113.1I21 F67 P78 D113 V114I21-Y80 HydrophobicContact CG1-CE1 3.96Å; I21-Y80 PolarHBondContact O-OH 3.43Å; F67-Y80 AromaticContact CE1-CD1 3.55Å; F67-Y80 HydrophobicContact CE1-CD1 3.55Å; F67-Y80 HydrophobicContact CE1-CE1 4.18Å; F67-Y80 HydrophobicContact CE1-CG 4.26Å; F67-Y80 HydrophobicContact CE2-CD1 4.37Å; F67-Y80 HydrophobicContact CE2-CG 4.33Å; F67-Y80 AromaticContact CZ-CD1 3.34Å; F67-Y80 HydrophobicContact CZ-CD1 3.34Å; F67-Y80 HydrophobicContact CZ-CE1 4.24Å; F67-Y80 AromaticContact CZ-CG 3.58Å; F67-Y80 HydrophobicContact CZ-CG 3.58Å; P78-Y80 HydrophobicContact CG-CE2 4.44Å; P78-Y80 WeakPolarHBondContact CG-OH 3.38Å; Y80-D113 PolarHBondContact N-OD2 2.92Å; Y80-D113 PolarHBondContact O-N 3.39Å; Y80-V114 PolarHBondContact O-N 2.86Å
81V95.3Very high88.9Confident0 Ų055 Ų550%031%0.311CS..EExtended strand (participates in β ladder)trans-108.7132.5-179.3-176.10000109.5F67 C68 V70 I83 V114 V116 I129 L133F67-V81 WeakPolarHBondContact CA-O 3.44Å; C68-V81 PolarHBondContact N-O 3.28Å; C68-V81 PolarHBondContact O-N 2.94Å; V70-V81 HydrophobicContact CB-CG2 4.5Å; V70-V81 HydrophobicContact CG2-CG2 3.66Å; V81-I83 HydrophobicContact CG1-CG1 4.14Å; V81-V114 HydrophobicContact CB-CG1 4.37Å; V81-V114 HydrophobicContact CG1-CG1 4.09Å; V81-V114 HydrophobicContact CG2-CG1 3.99Å; V81-V116 HydrophobicContact CG1-CG2 3.9Å; V81-I129 HydrophobicContact CG1-CG2 4.05Å; V81-I129 HydrophobicContact CG2-CG2 3.69Å; V81-L133 HydrophobicContact CG2-CD1 3.77Å; V81-L133 HydrophobicContact CG2-CD2 4.26Å; V81-L133 HydrophobicContact CG2-CG 4.29Å
82L97Very high89.3Confident0 Ų054.4 Ų54.40%031%0.314CS..EExtended strand (participates in β ladder)trans-108.3108.5166.1-179.564.8000109.8G66 V105 A106 V112 V114 I115 V116G66-L82 CarbonylContact O-C 3.57Å; G66-L82 WeakPolarHBondContact O-CA 3.26Å; L82-V105 HydrophobicContact CD1-CG1 4.33Å; L82-V105 HydrophobicContact CD2-CG1 4.31Å; L82-A106 HydrophobicContact CD2-CB 3.87Å; L82-V112 HydrophobicContact CB-CB 4.42Å; L82-V112 HydrophobicContact CB-CG1 3.71Å; L82-V112 HydrophobicContact CB-CG2 3.72Å; L82-V112 HydrophobicContact CD2-CG2 4.32Å; L82-V114 PolarHBondContact N-O 2.89Å; L82-I115 HydrophobicContact CB-CG1 4.39Å; L82-I115 HydrophobicContact CD2-CG1 4.36Å; L82-I115 CarbonylContact O-C 3.56Å; L82-I115 WeakPolarHBondContact O-CA 3.2Å; L82-V116 PolarHBondContact O-N 2.91Å
83I97.1Very high90.1Very high0 Ų056.5 Ų56.50%034%0.337CS..EExtended strand (participates in β ladder)trans-83.3113.1169.3-64.6159.4000108.1L51 L54 F58 Y65 G66 V81 W85 V116 A118 I124L51-I83 HydrophobicContact CD2-CD1 3.85Å; L54-I83 HydrophobicContact CD2-CD1 3.8Å; F58-I83 HydrophobicContact CE1-CG2 4.24Å; F58-I83 HydrophobicContact CE2-CG2 4.35Å; F58-I83 HydrophobicContact CZ-CB 4.18Å; F58-I83 HydrophobicContact CZ-CD1 4.31Å; F58-I83 HydrophobicContact CZ-CG2 3.69Å; Y65-I83 CarbonylContact C-O 3.51Å; Y65-I83 VanDerWaalsContact CA-O 3.31Å; Y65-I83 WeakPolarHBondContact CA-O 3.18Å; G66-I83 PolarHBondContact N-O 2.77Å; G66-I83 PolarHBondContact O-N 3.45Å; V81-I83 HydrophobicContact CG1-CG1 4.14Å; I83-W85 HydrophobicContact CG2-CB 4.42Å; I83-W85 PolarHBondContact O-N 2.98Å; I83-V116 CarbonylContact C-O 3.38Å; I83-V116 WeakPolarHBondContact CA-O 3.3Å; I83-V116 HydrophobicContact CG1-CB 4.35Å; I83-A118 HydrophobicContact CG2-CB 4.07Å; I83-I124 HydrophobicContact CD1-CD1 4.48Å; I83-I124 HydrophobicContact CD1-CG2 3.61Å; I83-I124 HydrophobicContact CG2-CD1 4.25Å
84N97.4Very high91Very high11 Ų1154.5 Ų54.56%0.05931%0.311CS..EExtended strand (participates in β ladder)trans-86.494.7166.717046.6000108Y65 V102 I115 V116 N117 A118Y65-N84 HydrophobicContact CE1-CB 4.48Å; Y65-N84 VanDerWaalsContact CE1-OD1 3.31Å; Y65-N84 WeakPolarHBondContact CE1-OD1 3.45Å; N84-V102 HydrophobicContact CB-CG1 4.23Å; N84-V102 WeakPolarHBondContact OD1-CG2 3.49Å; N84-I115 HydrophobicContact CB-CG2 4.4Å; N84-V116 PolarHBondContact N-O 3.37Å; N84-N117 PolarHBondContact ND2-OD1 2.81Å; N84-N117 WeakPolarHBondContact O-CA 3.46Å; N84-A118 PolarHBondContact O-N 2.88Å
85W97.9Very high92.2Very high1 Ų148.6 Ų48.60%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-87.2122.9179.4175-91.2000110.8F58 E59 V63 M64 I83 A118 S119 S120 I124F58-W85 HydrophobicContact CB-CD2 3.65Å; F58-W85 HydrophobicContact CB-CE3 3.87Å; F58-W85 HydrophobicContact CB-CG 4.2Å; F58-W85 HydrophobicContact CB-CH2 3.94Å; F58-W85 HydrophobicContact CB-CZ2 3.73Å; F58-W85 HydrophobicContact CB-CZ3 4Å; F58-W85 HydrophobicContact CD1-CB 3.5Å; F58-W85 VanDerWaalsContact CD1-CB 3.5Å; F58-W85 AromaticContact CD1-CD1 3.91Å; F58-W85 AromaticContact CD1-CD2 3.6Å; F58-W85 HydrophobicContact CD1-CD2 3.6Å; F58-W85 AromaticContact CD1-CE3 3.93Å; F58-W85 HydrophobicContact CD1-CE3 3.93Å; F58-W85 AromaticContact CD1-CG 3.37Å; F58-W85 HydrophobicContact CD1-CG 3.37Å; F58-W85 HydrophobicContact CD2-CD2 4.35Å; F58-W85 AromaticContact CD2-CE3 3.91Å; F58-W85 HydrophobicContact CD2-CE3 3.91Å; F58-W85 HydrophobicContact CD2-CZ3 4.18Å; F58-W85 HydrophobicContact CE1-CB 3.5Å; F58-W85 HydrophobicContact CE1-CD2 4.34Å; F58-W85 HydrophobicContact CE1-CE3 4.46Å; F58-W85 AromaticContact CE1-CG 3.94Å; F58-W85 HydrophobicContact CE1-CG 3.94Å; F58-W85 HydrophobicContact CE2-CE3 4.46Å; F58-W85 HydrophobicContact CG-CB 4.39Å; F58-W85 AromaticContact CG-CD2 3.61Å; F58-W85 HydrophobicContact CG-CD2 3.61Å; F58-W85 AromaticContact CG-CE3 3.64Å; F58-W85 HydrophobicContact CG-CE3 3.64Å; F58-W85 AromaticContact CG-CG 3.94Å; F58-W85 HydrophobicContact CG-CG 3.94Å; F58-W85 HydrophobicContact CG-CZ3 4.1Å; F58-W85 HydrophobicContact CZ-CB 4.41Å; E59-W85 PolarHBondContact O-NE1 3.25Å; V63-W85 WeakPolarHBondContact CA-O 3.31Å; V63-W85 WeakPolarHBondContact CG1-O 3.48Å; M64-W85 HydrophobicContact CB-CB 4.14Å; M64-W85 HydrophobicContact CB-CG 4.39Å; M64-W85 PolarHBondContact N-O 3.31Å; M64-W85 WeakPolarHBondContact O-CB 3.47Å; M64-W85 PolarHBondContact O-N 3.09Å; I83-W85 HydrophobicContact CG2-CB 4.42Å; I83-W85 PolarHBondContact O-N 2.98Å; W85-A118 WeakPolarHBondContact CA-O 3.46Å; W85-A118 HydrophobicContact CE3-CB 4Å; W85-A118 HydrophobicContact CZ3-CB 4.45Å; W85-S119 WeakPolarHBondContact CH2-O 3.21Å; W85-S119 WeakPolarHBondContact CZ2-O 3.48Å; W85-S120 VanDerWaalsContact CZ3-C 3.42Å; W85-S120 WeakPolarHBondContact CZ3-O 3.47Å; W85-I124 HydrophobicContact CE3-CD1 4.03Å; W85-I124 HydrophobicContact CZ3-CD1 3.97Å
86V97.1Very high93.2Very high32 Ų3251 Ų5119%0.19430%0.297CS..EExtended strand (participates in β ladder)trans-123.788.2175.2-175.10000107.7V63 K95 A118 S119V63-V86 HydrophobicContact CG1-CG2 4.46Å; V63-V86 HydrophobicContact CG2-CG1 4.5Å; V86-K95 HydrophobicContact CG1-CB 3.95Å; V86-K95 HydrophobicContact CG1-CD 3.68Å; V86-K95 HydrophobicContact CG1-CG 3.55Å; V86-A118 PolarHBondContact N-O 3.05Å; V86-S119 WeakPolarHBondContact O-CA 3.33Å; V86-S119 VanDerWaalsContact O-CB 3.29Å; V86-S119 WeakPolarHBondContact O-CB 3.49Å
87G95.8Very high94.1Very high0 Ų047.1 Ų47.10%026%0.264CS..  trans-57.3148.4-177.800000113.4N60 K62 D89 V90 K95N60-G87 CarbonylContact O-C 3.46Å; N60-G87 WeakPolarHBondContact O-CA 3.39Å; K62-G87 PolarHBondContact O-N 3.23Å; G87-D89 PolarHBondContact O-N 3.04Å; G87-V90 VanDerWaalsContact O-CB 3.3Å; G87-V90 WeakPolarHBondContact O-CB 3.34Å; G87-V90 VanDerWaalsContact O-CG2 3.28Å; G87-V90 WeakPolarHBondContact O-CG2 3.5Å; G87-V90 PolarHBondContact O-N 3.24Å; G87-K95 WeakPolarHBondContact O-CE 3.37Å
88E94.6Very high94.6Very high113 Ų11341.2 Ų41.253%0.52823%0.233SC..THydrogen-bonded Turntrans-59.1-44.5-171-59179.1145.300112.7N60 V90 K95N60-E88 PolarHBondContact O-N 2.94Å; E88-V90 PolarHBondContact O-N 2.68Å; E88-K95 PolarHBondContact O-NZ 3.49Å
89D95.4Very high94.8Very high102 Ų10243.4 Ų43.455%0.54525%0.253SS..THydrogen-bonded Turntrans-72.3-7.1-178.1-61.3-50.8000114N60 Q61 G87 P91N60-D89 WeakPolarHBondContact CB-OD2 3.48Å; N60-D89 PolarHBondContact O-N 3.22Å; N60-D89 VanDerWaalsContact O-N 3.12Å; Q61-D89 HydrophobicContact CG-CB 3.92Å; G87-D89 PolarHBondContact O-N 3.04Å; D89-P91 WeakPolarHBondContact O-CD 3.3Å
90V95.6Very high94.9Very high5 Ų545.7 Ų45.73%0.0327%0.271CS..SBendtrans-65.5127.7178.81760000110K62 V63 G87 E88 D92 R94 K95K62-V90 VanDerWaalsContact C-CG2 3.41Å; V63-V90 HydrophobicContact CG2-CB 4.5Å; V63-V90 HydrophobicContact CG2-CG1 3.77Å; V63-V90 HydrophobicContact CG2-CG2 4.09Å; G87-V90 VanDerWaalsContact O-CB 3.3Å; G87-V90 WeakPolarHBondContact O-CB 3.34Å; G87-V90 VanDerWaalsContact O-CG2 3.28Å; G87-V90 WeakPolarHBondContact O-CG2 3.5Å; G87-V90 PolarHBondContact O-N 3.24Å; E88-V90 PolarHBondContact O-N 2.68Å; V90-D92 PolarHBondContact O-N 2.88Å; V90-R94 HydrophobicContact CG1-CB 3.86Å; V90-R94 HydrophobicContact CG1-CG 3.9Å; V90-K95 HydrophobicContact CB-CG 3.97Å; V90-K95 HydrophobicContact CG1-CG 3.72Å; V90-K95 VanDerWaalsContact O-CE 3.26Å; V90-K95 WeakPolarHBondContact O-CE 3.44Å; V90-K95 PolarHBondContact O-NZ 3.25Å
91P94.9Very high95Very high92 Ų9244.2 Ų44.260%0.59727%0.266SS*.  trans-58.1136.9177.3-26.235000112.7D89 A93 R94 K95D89-P91 WeakPolarHBondContact O-CD 3.3Å; P91-A93 PolarHBondContact O-N 3.43Å; P91-A93 VanDerWaalsContact O-N 3.13Å; P91-R94 WeakPolarHBondContact O-CA 3.28Å; P91-R94 VanDerWaalsContact O-CB 3.29Å; P91-R94 WeakPolarHBondContact O-CB 3.48Å; P91-R94 PolarHBondContact O-N 2.88Å; P91-K95 PolarHBondContact O-N 3.47Å
92D95.1Very high94.9Very high115 Ų11545.1 Ų45.162%0.61527%0.271SS*.Hα-helixtrans-63.7-28.1-169.2-56-44.6000114V90 R94 K95 C96V90-D92 PolarHBondContact O-N 2.88Å; D92-R94 VanDerWaalsContact C-N 3.25Å; D92-R94 PolarHBondContact O-N 3.26Å; D92-K95 PolarHBondContact O-N 3.01Å; D92-K95 WeakPolarHBondContact OD1-CD 3.39Å; D92-K95 IonicContact OD1-NZ 2.68Å; D92-K95 PolarHBondContact OD1-NZ 2.97Å; D92-C96 VanDerWaalsContact O-CB 3.28Å; D92-C96 WeakPolarHBondContact O-CB 3.26Å; D92-C96 PolarHBondContact O-N 3.45Å
93A93.4Very high94.8Very high84 Ų8448 Ų4869%0.69430%0.295SS*.Hα-helixtrans-61.3-33.2169.900000112.7P91 A97P91-A93 PolarHBondContact O-N 3.43Å; P91-A93 VanDerWaalsContact O-N 3.13Å; A93-A97 WeakPolarHBondContact O-CB 3.42Å; A93-A97 PolarHBondContact O-N 3.18Å
94R93.3Very high94.7Very high75 Ų7552.4 Ų52.428%0.28331%0.314SS..Hα-helixtrans-77.8-42.2172.7-174.561.9171-174.20.8111.1S38 D39 V90 P91 D92 C96 A97 C98S38-R94 PolarHBondContact O-NH2 3.04Å; D39-R94 IonicContact OD1-CZ 2.69Å; D39-R94 IonicContact OD1-NH1 3.37Å; D39-R94 PolarHBondContact OD1-NH1 3.14Å; D39-R94 IonicContact OD1-NH2 2.71Å; D39-R94 PolarHBondContact OD1-NH2 3.35Å; V90-R94 HydrophobicContact CG1-CB 3.86Å; V90-R94 HydrophobicContact CG1-CG 3.9Å; P91-R94 WeakPolarHBondContact O-CA 3.28Å; P91-R94 VanDerWaalsContact O-CB 3.29Å; P91-R94 WeakPolarHBondContact O-CB 3.48Å; P91-R94 PolarHBondContact O-N 2.88Å; D92-R94 VanDerWaalsContact C-N 3.25Å; D92-R94 PolarHBondContact O-N 3.26Å; R94-C96 VanDerWaalsContact C-N 3.31Å; R94-C96 PolarHBondContact O-N 2.85Å; R94-A97 PolarHBondContact O-N 2.88Å; R94-C98 WeakPolarHBondContact O-CB 3.2Å; R94-C98 PolarHBondContact O-N 3.44Å; R94-C98 PolarHBondContact O-SG 3.16Å
95K94.3Very high94.6Very high55 Ų5551.9 Ų51.924%0.23931%0.311CS..Hα-helixtrans-52.7-50172.4-59.4-166.6175.593.90110.6V86 G87 E88 V90 P91 D92 C98 A99V86-K95 HydrophobicContact CG1-CB 3.95Å; V86-K95 HydrophobicContact CG1-CD 3.68Å; V86-K95 HydrophobicContact CG1-CG 3.55Å; G87-K95 WeakPolarHBondContact O-CE 3.37Å; E88-K95 PolarHBondContact O-NZ 3.49Å; V90-K95 HydrophobicContact CB-CG 3.97Å; V90-K95 HydrophobicContact CG1-CG 3.72Å; V90-K95 VanDerWaalsContact O-CE 3.26Å; V90-K95 WeakPolarHBondContact O-CE 3.44Å; V90-K95 PolarHBondContact O-NZ 3.25Å; P91-K95 PolarHBondContact O-N 3.47Å; D92-K95 PolarHBondContact O-N 3.01Å; D92-K95 WeakPolarHBondContact OD1-CD 3.39Å; D92-K95 IonicContact OD1-NZ 2.68Å; D92-K95 PolarHBondContact OD1-NZ 2.97Å; K95-C98 PolarHBondContact O-N 3.33Å; K95-A99 PolarHBondContact O-N 3.4Å
96C93.1Very high94.4Very high88 Ų8852.9 Ų52.960%0.59532%0.32SS*.Hα-helixtrans-61.7-45.2177.9-177.20000113.2D92 R94 A99D92-C96 VanDerWaalsContact O-CB 3.28Å; D92-C96 WeakPolarHBondContact O-CB 3.26Å; D92-C96 PolarHBondContact O-N 3.45Å; R94-C96 VanDerWaalsContact C-N 3.31Å; R94-C96 PolarHBondContact O-N 2.85Å; C96-A99 PolarHBondContact O-N 3.25Å
97A91.9Very high94.2Very high22 Ų2257.9 Ų57.918%0.18234%0.341CS..Hα-helixtrans-62.3-48.6177.100000111.9A93 R94 A99 S100A93-A97 WeakPolarHBondContact O-CB 3.42Å; A93-A97 PolarHBondContact O-N 3.18Å; R94-A97 PolarHBondContact O-N 2.88Å; A97-A99 VanDerWaalsContact C-N 3.3Å; A97-A99 PolarHBondContact O-N 3.24Å; A97-S100 WeakPolarHBondContact O-CB 3.29Å; A97-S100 PolarHBondContact O-N 3.19Å; A97-S100 VanDerWaalsContact O-N 3.14Å; A97-S100 PolarHBondContact O-OG 3.39Å
98C93.6Very high94.2Very high1 Ų159 Ų591%0.00735%0.346CS..Hα-helixtrans-68.2-23.7-178.5-68.60000113.8V63 R94 K95 S100 H101V63-C98 HydrophobicContact CB-CB 4.42Å; V63-C98 HydrophobicContact CG1-CB 3.93Å; V63-C98 HydrophobicContact CG2-CB 4.15Å; R94-C98 WeakPolarHBondContact O-CB 3.2Å; R94-C98 PolarHBondContact O-N 3.44Å; R94-C98 PolarHBondContact O-SG 3.16Å; K95-C98 PolarHBondContact O-N 3.33Å; C98-S100 PolarHBondContact O-N 2.97Å; C98-H101 VanDerWaalsContact O-CB 3.3Å; C98-H101 WeakPolarHBondContact O-CB 3.48Å; C98-H101 PolarHBondContact O-N 3.13Å
99A93.3Very high94.2Very high65 Ų6553.6 Ų53.654%0.53732%0.321SS..Hα-helixtrans-57.2-32.817100000112.2K95 C96 A97 H101K95-A99 PolarHBondContact O-N 3.4Å; C96-A99 PolarHBondContact O-N 3.25Å; A97-A99 VanDerWaalsContact C-N 3.3Å; A97-A99 PolarHBondContact O-N 3.24Å; A99-H101 PolarHBondContact O-N 3.31Å
100S93.6Very high93.9Very high66 Ų6656.3 Ų56.346%0.46233%0.33SS..THydrogen-bonded Turntrans-73.7-10.717578.50000114.4A97 C98A97-S100 WeakPolarHBondContact O-CB 3.29Å; A97-S100 PolarHBondContact O-N 3.19Å; A97-S100 VanDerWaalsContact O-N 3.14Å; A97-S100 PolarHBondContact O-OG 3.39Å; C98-S100 PolarHBondContact O-N 2.97Å
101H94.8Very high93.5Very high2 Ų258.1 Ų58.11%0.00935%0.35CS..THydrogen-bonded Turntrans-92-27-177.5-61.7175.9000112.7G3 V4 Y34 C98 A99 A103 K104 V105G3-H101 WeakPolarHBondContact CA-NE2 3.33Å; V4-H101 HydrophobicContact CB-CB 3.86Å; V4-H101 HydrophobicContact CG1-CB 3.68Å; V4-H101 PolarHBondContact N-CD2 2.87Å; V4-H101 PolarHBondContact N-CE1 3.38Å; V4-H101 PolarHBondContact N-NE2 2.98Å; V4-H101 VanDerWaalsContact N-NE2 3.14Å; Y34-H101 AromaticContact CE1-ND1 3.78Å; Y34-H101 AromaticContact CZ-ND1 3.67Å; Y34-H101 WeakPolarHBondContact OH-CB 3.44Å; Y34-H101 PolarHBondContact OH-ND1 2.88Å; C98-H101 VanDerWaalsContact O-CB 3.3Å; C98-H101 WeakPolarHBondContact O-CB 3.48Å; C98-H101 PolarHBondContact O-N 3.13Å; A99-H101 PolarHBondContact O-N 3.31Å; H101-A103 VanDerWaalsContact C-N 3.3Å; H101-A103 PolarHBondContact O-N 3.12Å; H101-K104 WeakPolarHBondContact O-CB 3.5Å; H101-K104 PolarHBondContact O-N 3.33Å; H101-V105 WeakPolarHBondContact O-CG2 3.33Å; H101-V105 PolarHBondContact O-N 2.77Å
102V94.6Very high93.4Very high19 Ų1955.5 Ų55.512%0.11533%0.332CS..Hα-helixtrans-51.6-45-173.9-172.80000112.6Y65 N84 K104 V105 A106 I115Y65-V102 HydrophobicContact CE1-CG2 4.33Å; N84-V102 HydrophobicContact CB-CG1 4.23Å; N84-V102 WeakPolarHBondContact OD1-CG2 3.49Å; V102-K104 PolarHBondContact O-N 3.29Å; V102-V105 PolarHBondContact O-N 3.13Å; V102-A106 PolarHBondContact O-N 2.79Å; V102-I115 HydrophobicContact CG1-CD1 4.48Å; V102-I115 HydrophobicContact CG1-CG2 4.18Å
103A93.1Very high93.2Very high60 Ų6054.4 Ų54.450%0.49633%0.326SS..Hα-helixtrans-60.7-43.5178.200000112.5H101 V105 A106 E107H101-A103 VanDerWaalsContact C-N 3.3Å; H101-A103 PolarHBondContact O-N 3.12Å; A103-V105 VanDerWaalsContact C-N 3.34Å; A103-V105 PolarHBondContact O-N 3.02Å; A103-A106 PolarHBondContact O-N 2.85Å; A103-E107 WeakPolarHBondContact O-CB 3.49Å; A103-E107 WeakPolarHBondContact O-CG 3.31Å; A103-E107 PolarHBondContact O-N 2.87Å
104K95Very high93.2Very high92 Ų9251.8 Ų51.840%0.430%0.301SS..Hα-helixtrans-68.2-34177.5-68.1175.6174.6177.50112.6V4 F6 H101 V102 E107 F108V4-K104 HydrophobicContact CG1-CB 3.8Å; V4-K104 HydrophobicContact CG1-CD 3.83Å; V4-K104 HydrophobicContact CG1-CG 4.49Å; F6-K104 HydrophobicContact CE2-CB 4.33Å; F6-K104 HydrophobicContact CZ-CB 4.21Å; H101-K104 WeakPolarHBondContact O-CB 3.5Å; H101-K104 PolarHBondContact O-N 3.33Å; V102-K104 PolarHBondContact O-N 3.29Å; K104-E107 PolarHBondContact O-N 3.01Å; K104-F108 VanDerWaalsContact O-CB 3.3Å; K104-F108 WeakPolarHBondContact O-CB 3.34Å; K104-F108 PolarHBondContact O-N 3.27Å
105V95.5Very high93.3Very high0 Ų051.8 Ų51.80%031%0.306CS..Hα-helixtrans-66.9-42.2175.5175.40000109.9V4 F6 Y65 L82 H101 V102 A103 F108 F109V4-V105 HydrophobicContact CG1-CG2 4.46Å; V4-V105 HydrophobicContact CG2-CG2 4.43Å; F6-V105 HydrophobicContact CE1-CG2 4.11Å; F6-V105 HydrophobicContact CZ-CG2 4.18Å; Y65-V105 HydrophobicContact CD1-CG1 4.02Å; Y65-V105 HydrophobicContact CD2-CG1 4.16Å; Y65-V105 HydrophobicContact CD2-CG2 4.15Å; Y65-V105 HydrophobicContact CE1-CG2 4.39Å; Y65-V105 HydrophobicContact CE2-CG2 3.93Å; Y65-V105 HydrophobicContact CG-CG1 3.82Å; Y65-V105 HydrophobicContact CG-CG2 4.49Å; L82-V105 HydrophobicContact CD1-CG1 4.33Å; L82-V105 HydrophobicContact CD2-CG1 4.31Å; H101-V105 WeakPolarHBondContact O-CG2 3.33Å; H101-V105 PolarHBondContact O-N 2.77Å; V102-V105 PolarHBondContact O-N 3.13Å; A103-V105 VanDerWaalsContact C-N 3.34Å; A103-V105 PolarHBondContact O-N 3.02Å; V105-F108 PolarHBondContact O-N 3.5Å; V105-F109 HydrophobicContact CG1-CD2 3.62Å; V105-F109 HydrophobicContact CG1-CE2 3.73Å; V105-F109 WeakPolarHBondContact O-CB 3.49Å; V105-F109 VanDerWaalsContact O-CD2 3.31Å; V105-F109 WeakPolarHBondContact O-CD2 3.46Å; V105-F109 PolarHBondContact O-N 2.71Å
106A94.2Very high93.3Very high23 Ų2349.2 Ų49.219%0.1930%0.295CS..Hα-helixtrans-67.8-35.3173.100000113.5L82 V102 A103 F108 F109 I115L82-A106 HydrophobicContact CD2-CB 3.87Å; V102-A106 PolarHBondContact O-N 2.79Å; A103-A106 PolarHBondContact O-N 2.85Å; A106-F108 VanDerWaalsContact C-N 3.33Å; A106-F109 CarbonylContact O-C 3.19Å; A106-I115 HydrophobicContact CB-CD1 3.98Å
107E93.6Very high93.5Very high137 Ų13750.3 Ų50.364%0.6430%0.295SS*.Hα-helixtrans-68.9-28.4172.8-75.5172.3-179.700113.3A103 K104 Q110A103-E107 WeakPolarHBondContact O-CB 3.49Å; A103-E107 WeakPolarHBondContact O-CG 3.31Å; A103-E107 PolarHBondContact O-N 2.87Å; K104-E107 PolarHBondContact O-N 3.01Å; E107-Q110 WeakPolarHBondContact O-CG 3.41Å; E107-Q110 PolarHBondContact O-NE2 3.17Å
108F95Very high93.7Very high23 Ų2349.5 Ų49.510%0.10129%0.289CS..Hα-helixtrans-77.4-44.8175-178.3-87.8000111.1F6 R10 L13 L14 K104 V105 A106 Q110F6-F108 HydrophobicContact CB-CD2 3.87Å; F6-F108 HydrophobicContact CB-CE2 3.42Å; F6-F108 VanDerWaalsContact CB-CE2 3.42Å; F6-F108 HydrophobicContact CB-CZ 4Å; F6-F108 HydrophobicContact CD1-CB 4.45Å; F6-F108 HydrophobicContact CD1-CD1 4.16Å; F6-F108 AromaticContact CD1-CD2 3.78Å; F6-F108 HydrophobicContact CD1-CD2 3.78Å; F6-F108 HydrophobicContact CD1-CE1 4.35Å; F6-F108 AromaticContact CD1-CE2 3.97Å; F6-F108 HydrophobicContact CD1-CE2 3.97Å; F6-F108 AromaticContact CD1-CG 3.89Å; F6-F108 HydrophobicContact CD1-CG 3.89Å; F6-F108 HydrophobicContact CD1-CZ 4.26Å; F6-F108 AromaticContact CD2-CD2 3.76Å; F6-F108 HydrophobicContact CD2-CD2 3.76Å; F6-F108 HydrophobicContact CD2-CE2 4.22Å; F6-F108 HydrophobicContact CD2-CG 4.4Å; F6-F108 HydrophobicContact CE1-CB 4.01Å; F6-F108 HydrophobicContact CE1-CD1 4.3Å; F6-F108 HydrophobicContact CE1-CD2 4.19Å; F6-F108 AromaticContact CE1-CG 3.93Å; F6-F108 HydrophobicContact CE1-CG 3.93Å; F6-F108 HydrophobicContact CE2-CB 4.24Å; F6-F108 HydrophobicContact CE2-CD2 4.17Å; F6-F108 HydrophobicContact CE2-CG 4.44Å; F6-F108 AromaticContact CG-CD2 3.54Å; F6-F108 HydrophobicContact CG-CD2 3.54Å; F6-F108 AromaticContact CG-CE2 3.64Å; F6-F108 HydrophobicContact CG-CE2 3.64Å; F6-F108 HydrophobicContact CG-CG 4.12Å; F6-F108 HydrophobicContact CG-CZ 4.3Å; F6-F108 HydrophobicContact CZ-CB 3.9Å; F6-F108 HydrophobicContact CZ-CD2 4.37Å; F6-F108 HydrophobicContact CZ-CG 4.21Å; R10-F108 HydrophobicContact CG-CE2 4.37Å; R10-F108 HydrophobicContact CG-CZ 4.41Å; L13-F108 HydrophobicContact CB-CE1 3.99Å; L13-F108 HydrophobicContact CB-CZ 4.05Å; L13-F108 HydrophobicContact CD1-CE1 4.27Å; L13-F108 HydrophobicContact CD1-CZ 4.04Å; L14-F108 HydrophobicContact CD1-CZ 4.45Å; L14-F108 HydrophobicContact CD2-CE1 3.79Å; L14-F108 HydrophobicContact CD2-CZ 3.76Å; L14-F108 HydrophobicContact CG-CE1 4.25Å; L14-F108 HydrophobicContact CG-CZ 3.84Å; K104-F108 VanDerWaalsContact O-CB 3.3Å; K104-F108 WeakPolarHBondContact O-CB 3.34Å; K104-F108 PolarHBondContact O-N 3.27Å; V105-F108 PolarHBondContact O-N 3.5Å; A106-F108 VanDerWaalsContact C-N 3.33Å; F108-Q110 PolarHBondContact O-N 3.33Å
109F94.1Very high93.7Very high0 Ų052 Ų520%031%0.306CS..SBendtrans-89.268.7175.7-63.1-49.7000111.2Y17 Y32 L41 F67 V105 A106 G111Y17-F109 HydrophobicContact CD1-CD1 4.18Å; Y17-F109 HydrophobicContact CD2-CB 4.11Å; Y17-F109 AromaticContact CD2-CD1 3.22Å; Y17-F109 HydrophobicContact CD2-CD1 3.22Å; Y17-F109 AromaticContact CD2-CE1 3.9Å; Y17-F109 HydrophobicContact CD2-CE1 3.9Å; Y17-F109 AromaticContact CD2-CG 3.96Å; Y17-F109 HydrophobicContact CD2-CG 3.96Å; Y17-F109 HydrophobicContact CE1-CD1 4.45Å; Y17-F109 HydrophobicContact CE2-CB 3.5Å; Y17-F109 VanDerWaalsContact CE2-CB 3.5Å; Y17-F109 AromaticContact CE2-CD1 3.56Å; Y17-F109 HydrophobicContact CE2-CD1 3.56Å; Y17-F109 AromaticContact CE2-CG 3.88Å; Y17-F109 HydrophobicContact CE2-CG 3.88Å; Y17-F109 AromaticContact CG-CD1 3.57Å; Y17-F109 HydrophobicContact CG-CD1 3.57Å; Y17-F109 HydrophobicContact CG-CE1 4.03Å; Y17-F109 PolarHBondContact OH-O 3.26Å; Y32-F109 HydrophobicContact CD1-CZ 4.04Å; Y32-F109 HydrophobicContact CD2-CE1 4.4Å; Y32-F109 AromaticContact CD2-CE2 3.53Å; Y32-F109 HydrophobicContact CD2-CE2 3.53Å; Y32-F109 AromaticContact CD2-CZ 3.44Å; Y32-F109 HydrophobicContact CD2-CZ 3.44Å; Y32-F109 VanDerWaalsContact CD2-CZ 3.44Å; Y32-F109 HydrophobicContact CE1-CE1 4.23Å; Y32-F109 AromaticContact CE1-CZ 3.83Å; Y32-F109 HydrophobicContact CE1-CZ 3.83Å; Y32-F109 HydrophobicContact CE2-CD2 4.39Å; Y32-F109 AromaticContact CE2-CE1 3.76Å; Y32-F109 HydrophobicContact CE2-CE1 3.76Å; Y32-F109 AromaticContact CE2-CE2 3.59Å; Y32-F109 HydrophobicContact CE2-CE2 3.59Å; Y32-F109 AromaticContact CE2-CZ 3.22Å; Y32-F109 HydrophobicContact CE2-CZ 3.22Å; Y32-F109 HydrophobicContact CG-CE2 4.19Å; Y32-F109 AromaticContact CG-CZ 3.85Å; Y32-F109 HydrophobicContact CG-CZ 3.85Å; Y32-F109 AromaticContact CZ-CE1 3.65Å; Y32-F109 AromaticContact CZ-CZ 3.42Å; Y32-F109 VanDerWaalsContact CZ-CZ 3.42Å; L41-F109 HydrophobicContact CD2-CE2 4.39Å; F67-F109 HydrophobicContact CD2-CB 4.34Å; F67-F109 HydrophobicContact CE2-CB 4.48Å; V105-F109 HydrophobicContact CG1-CD2 3.62Å; V105-F109 HydrophobicContact CG1-CE2 3.73Å; V105-F109 WeakPolarHBondContact O-CB 3.49Å; V105-F109 VanDerWaalsContact O-CD2 3.31Å; V105-F109 WeakPolarHBondContact O-CD2 3.46Å; V105-F109 PolarHBondContact O-N 2.71Å; A106-F109 CarbonylContact O-C 3.19Å; F109-G111 PolarHBondContact O-N 3.18Å
110Q89.6Confident93.8Very high159 Ų15950.3 Ų50.374%0.74329%0.29SS*.THydrogen-bonded Turntrans-61.994.8-174.2-62.2-174-3.800115.1Y17 E107 F108Y17-Q110 PolarHBondContact OH-N 2.94Å; Y17-Q110 PolarHBondContact OH-O 2.93Å; Y17-Q110 VanDerWaalsContact OH-O 3.04Å; E107-Q110 WeakPolarHBondContact O-CG 3.41Å; E107-Q110 PolarHBondContact O-NE2 3.17Å; F108-Q110 PolarHBondContact O-N 3.33Å
111G87.6Confident93.9Very high43 Ų4351.1 Ų51.144%0.44329%0.292SS..THydrogen-bonded Turntrans156.41173.700000115.7F109 D113F109-G111 PolarHBondContact O-N 3.18Å; G111-D113 PolarHBondContact O-N 2.93Å
112V92.8Very high93.8Very high36 Ų3659.5 Ų59.522%0.21833%0.331CS..  trans-57.6118.5179.6179.10000112.2F67 L82 V114 I115F67-V112 HydrophobicContact CD2-CG2 4.2Å; F67-V112 HydrophobicContact CE2-CG2 3.83Å; L82-V112 HydrophobicContact CB-CB 4.42Å; L82-V112 HydrophobicContact CB-CG1 3.71Å; L82-V112 HydrophobicContact CB-CG2 3.72Å; L82-V112 HydrophobicContact CD2-CG2 4.32Å; V112-V114 VanDerWaalsContact CG1-C 3.49Å; V112-V114 WeakPolarHBondContact CG1-O 3.42Å; V112-I115 HydrophobicContact CG1-CG1 3.85Å
113D91.8Very high93.8Very high93 Ų9361.9 Ų61.950%0.49734%0.343SS..SBendtrans-77.9-35170.5-71.5-79.3000112.2K79 Y80 G111 L133K79-D113 WeakPolarHBondContact CA-OD2 3.31Å; K79-D113 WeakPolarHBondContact CB-OD2 3.46Å; Y80-D113 PolarHBondContact N-OD2 2.92Å; Y80-D113 PolarHBondContact O-N 3.39Å; G111-D113 PolarHBondContact O-N 2.93Å; D113-L133 HydrophobicContact CB-CD2 3.68Å
114V92.4Very high93.8Very high28 Ų2859.5 Ų59.517%0.1732%0.322CS..EExtended strand (participates in β ladder)trans-146.7135.7-179.272.90000112.4Y80 V81 L82 V112 V116 R132 L133Y80-V114 PolarHBondContact O-N 2.86Å; V81-V114 HydrophobicContact CB-CG1 4.37Å; V81-V114 HydrophobicContact CG1-CG1 4.09Å; V81-V114 HydrophobicContact CG2-CG1 3.99Å; L82-V114 PolarHBondContact N-O 2.89Å; V112-V114 VanDerWaalsContact CG1-C 3.49Å; V112-V114 WeakPolarHBondContact CG1-O 3.42Å; V114-V116 HydrophobicContact CG1-CG2 4.31Å; V114-R132 HydrophobicContact CG2-CB 4.49Å; V114-L133 HydrophobicContact CB-CD2 4.09Å; V114-L133 HydrophobicContact CG1-CD2 3.47Å; V114-L133 VanDerWaalsContact CG1-CD2 3.47Å; V114-L133 HydrophobicContact CG1-CG 3.97Å
115I94.8Very high93.7Very high76 Ų7659.3 Ų59.339%0.3933%0.325SS..EExtended strand (participates in β ladder)trans-97131.6168.4-56.1177000108.3L82 N84 V102 A106 V112L82-I115 HydrophobicContact CB-CG1 4.39Å; L82-I115 HydrophobicContact CD2-CG1 4.36Å; L82-I115 CarbonylContact O-C 3.56Å; L82-I115 WeakPolarHBondContact O-CA 3.2Å; N84-I115 HydrophobicContact CB-CG2 4.4Å; V102-I115 HydrophobicContact CG1-CD1 4.48Å; V102-I115 HydrophobicContact CG1-CG2 4.18Å; A106-I115 HydrophobicContact CB-CD1 3.98Å; V112-I115 HydrophobicContact CG1-CG1 3.85Å
116V95.4Very high93.4Very high1 Ų162 Ų621%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-119.1118.1178.2-178.20000107.7V81 L82 I83 N84 V114 I129V81-V116 HydrophobicContact CG1-CG2 3.9Å; L82-V116 PolarHBondContact O-N 2.91Å; I83-V116 CarbonylContact C-O 3.38Å; I83-V116 WeakPolarHBondContact CA-O 3.3Å; I83-V116 HydrophobicContact CG1-CB 4.35Å; N84-V116 PolarHBondContact N-O 3.37Å; V114-V116 HydrophobicContact CG1-CG2 4.31Å; V116-I129 HydrophobicContact CG1-CD1 4.45Å; V116-I129 HydrophobicContact CG2-CD1 4.39Å; V116-I129 HydrophobicContact CG2-CG1 4.12Å
117N96Very high93.2Very high110 Ų11063 Ų6359%0.58836%0.361SS*.EExtended strand (participates in β ladder)trans-82.2134168.7-64.1-23.8000108.5N84N84-N117 PolarHBondContact ND2-OD1 2.81Å; N84-N117 WeakPolarHBondContact O-CA 3.46Å
118A96.2Very high93.1Very high6 Ų658.2 Ų58.25%0.0535%0.345CS..EExtended strand (participates in β ladder)trans-140.8147.4178.100000110.4I83 N84 W85 V86 D123 I124I83-A118 HydrophobicContact CG2-CB 4.07Å; N84-A118 PolarHBondContact O-N 2.88Å; W85-A118 WeakPolarHBondContact CA-O 3.46Å; W85-A118 HydrophobicContact CE3-CB 4Å; W85-A118 HydrophobicContact CZ3-CB 4.45Å; V86-A118 PolarHBondContact N-O 3.05Å; A118-D123 HydrophobicContact CB-CB 3.62Å; A118-I124 HydrophobicContact CB-CD1 4.22Å; A118-I124 HydrophobicContact CB-CG1 3.92Å
119S95.5Very high92.9Very high52 Ų5257.2 Ų57.236%0.36434%0.34SS..SBendtrans-128.1-18.9171.237.80000112.5W85 V86 D123W85-S119 WeakPolarHBondContact CH2-O 3.21Å; W85-S119 WeakPolarHBondContact CZ2-O 3.48Å; V86-S119 WeakPolarHBondContact O-CA 3.33Å; V86-S119 VanDerWaalsContact O-CB 3.29Å; V86-S119 WeakPolarHBondContact O-CB 3.49Å; S119-D123 PolarHBondContact N-OD2 3.14Å; S119-D123 PolarHBondContact OG-OD2 2.76Å
120S94.9Very high92.7Very high31 Ų3158.4 Ų58.422%0.21735%0.352CS..SBendtrans-127.5161.1178.571.90000110.6W85 E122 D123W85-S120 VanDerWaalsContact CZ3-C 3.42Å; W85-S120 WeakPolarHBondContact CZ3-O 3.47Å; S120-E122 PolarHBondContact O-N 3.35Å; S120-E122 PolarHBondContact OG-N 3.36Å; S120-D123 PolarHBondContact N-OD2 3.47Å; S120-D123 WeakPolarHBondContact O-CB 3.46Å; S120-D123 PolarHBondContact O-N 2.7Å; S120-D123 VanDerWaalsContact OG-CG 3.32Å; S120-D123 PolarHBondContact OG-N 2.92Å; S120-D123 PolarHBondContact OG-OD2 3.24Å
121V94.3Very high92.6Very high82 Ų8256.9 Ų56.950%0.49735%0.345SS..G310 helixtrans-63.1-27.8174175.90000111.5D123 I124V121-D123 VanDerWaalsContact C-N 3.29Å; V121-D123 PolarHBondContact O-N 3.46Å; V121-I124 PolarHBondContact O-N 2.85Å; V121-I124 VanDerWaalsContact O-N 3.16Å
122E93.3Very high92.6Very high179 Ų17961.3 Ų61.384%0.83635%0.348SS*.G310 helixtrans-69-24.3179.8-57.6-173.1-174.700113S120 I124S120-E122 PolarHBondContact O-N 3.35Å; S120-E122 PolarHBondContact OG-N 3.36Å; E122-I124 PolarHBondContact O-N 3.37Å
123D94.1Very high92.4Very high68 Ų6860 Ų6036%0.36434%0.34SS..G310 helixtrans-67.2-15.8173.3-64.1-60.7000113A118 S119 S120 V121A118-D123 HydrophobicContact CB-CB 3.62Å; S119-D123 PolarHBondContact N-OD2 3.14Å; S119-D123 PolarHBondContact OG-OD2 2.76Å; S120-D123 PolarHBondContact N-OD2 3.47Å; S120-D123 WeakPolarHBondContact O-CB 3.46Å; S120-D123 PolarHBondContact O-N 2.7Å; S120-D123 VanDerWaalsContact OG-CG 3.32Å; S120-D123 PolarHBondContact OG-N 2.92Å; S120-D123 PolarHBondContact OG-OD2 3.24Å; V121-D123 VanDerWaalsContact C-N 3.29Å; V121-D123 PolarHBondContact O-N 3.46Å
124I93.8Very high92Very high11 Ų1158 Ų586%0.05633%0.334CS..  trans-104.343.5-169.9-39.5-176.5000111.4F58 I83 W85 A118 V121 E122 A126 I129F58-I124 HydrophobicContact CD2-CD1 3.67Å; F58-I124 HydrophobicContact CE2-CD1 3.37Å; F58-I124 HydrophobicContact CZ-CD1 4.23Å; I83-I124 HydrophobicContact CD1-CD1 4.48Å; I83-I124 HydrophobicContact CD1-CG2 3.61Å; I83-I124 HydrophobicContact CG2-CD1 4.25Å; W85-I124 HydrophobicContact CE3-CD1 4.03Å; W85-I124 HydrophobicContact CZ3-CD1 3.97Å; A118-I124 HydrophobicContact CB-CD1 4.22Å; A118-I124 HydrophobicContact CB-CG1 3.92Å; V121-I124 PolarHBondContact O-N 2.85Å; V121-I124 VanDerWaalsContact O-N 3.16Å; E122-I124 PolarHBondContact O-N 3.37Å; I124-A126 PolarHBondContact O-N 3.45Å; I124-I129 HydrophobicContact CG2-CD1 3.93Å
125D92.1Very high91.3Very high87 Ų8760.9 Ų60.947%0.46535%0.348SS..  trans-68.4115.3171.8171.932.1000111.5G127 A128 I129D125-G127 PolarHBondContact O-N 3.3Å; D125-G127 PolarHBondContact OD1-N 2.83Å; D125-A128 HydrophobicContact CB-CB 4.06Å; D125-A128 PolarHBondContact O-N 2.82Å; D125-A128 VanDerWaalsContact OD2-CB 3.31Å; D125-A128 WeakPolarHBondContact OD2-CB 3.31Å; D125-A128 PolarHBondContact OD2-N 3.27Å; D125-I129 WeakPolarHBondContact O-CB 3.24Å; D125-I129 VanDerWaalsContact O-CG1 3.26Å; D125-I129 WeakPolarHBondContact O-CG1 3.38Å; D125-I129 PolarHBondContact O-N 3.25Å
126A90.2Very high89.9Confident56 Ų5659.1 Ų59.146%0.46335%0.349SS..Hα-helixtrans-58.4-29.2174.100000113.1L51 I124 G130L51-A126 HydrophobicContact CD1-CB 3.88Å; I124-A126 PolarHBondContact O-N 3.45Å; A126-G130 PolarHBondContact O-N 3.49Å
127G89.9Confident87.9Confident46 Ų4664.3 Ų64.347%0.47438%0.376SS..Hα-helixtrans-65.9-54.6174.200000112.3D125 I129 G130 Q131D125-G127 PolarHBondContact O-N 3.3Å; D125-G127 PolarHBondContact OD1-N 2.83Å; G127-I129 PolarHBondContact O-N 2.92Å; G127-G130 PolarHBondContact O-N 2.92Å; G127-Q131 WeakPolarHBondContact O-CB 3.26Å; G127-Q131 PolarHBondContact O-N 3.24Å
128A90.9Very high85.5Confident36 Ų3661.4 Ų61.430%0.29837%0.367SS..Hα-helixtrans-62.3-39.8175.900000112.3D125 Q131 R132D125-A128 HydrophobicContact CB-CB 4.06Å; D125-A128 PolarHBondContact O-N 2.82Å; D125-A128 VanDerWaalsContact OD2-CB 3.31Å; D125-A128 WeakPolarHBondContact OD2-CB 3.31Å; D125-A128 PolarHBondContact OD2-N 3.27Å; A128-Q131 PolarHBondContact O-N 2.76Å; A128-R132 WeakPolarHBondContact O-CB 3.29Å; A128-R132 VanDerWaalsContact O-CG 3.24Å; A128-R132 WeakPolarHBondContact O-CG 3.43Å; A128-R132 PolarHBondContact O-N 2.7Å
129I91.5Very high83.1Confident2 Ų271.7 Ų71.71%0.0141%0.405CS..Hα-helixtrans-65.1-48.1175.6-67.7172000110.4L51 V81 V116 I124 D125 G127 Q131 R132 L133L51-I129 HydrophobicContact CD1-CB 4.38Å; L51-I129 HydrophobicContact CD1-CD1 4.2Å; L51-I129 HydrophobicContact CD1-CG2 4.1Å; L51-I129 HydrophobicContact CD2-CD1 4.4Å; V81-I129 HydrophobicContact CG1-CG2 4.05Å; V81-I129 HydrophobicContact CG2-CG2 3.69Å; V116-I129 HydrophobicContact CG1-CD1 4.45Å; V116-I129 HydrophobicContact CG2-CD1 4.39Å; V116-I129 HydrophobicContact CG2-CG1 4.12Å; I124-I129 HydrophobicContact CG2-CD1 3.93Å; D125-I129 WeakPolarHBondContact O-CB 3.24Å; D125-I129 VanDerWaalsContact O-CG1 3.26Å; D125-I129 WeakPolarHBondContact O-CG1 3.38Å; D125-I129 PolarHBondContact O-N 3.25Å; G127-I129 PolarHBondContact O-N 2.92Å; I129-Q131 VanDerWaalsContact C-N 3.33Å; I129-Q131 PolarHBondContact O-N 2.87Å; I129-R132 WeakPolarHBondContact O-CB 3.42Å; I129-R132 PolarHBondContact O-N 2.79Å; I129-R132 VanDerWaalsContact O-N 3.17Å; I129-L133 HydrophobicContact CG2-CD1 4.31Å; I129-L133 WeakPolarHBondContact O-CG 3.25Å; I129-L133 PolarHBondContact O-N 3.43Å
130G88.9Confident80.6Confident24 Ų2476.3 Ų76.325%0.24743%0.425CS..Hα-helixtrans-59-41.7174.300000112.7A126 G127 L133 S134A126-G130 PolarHBondContact O-N 3.49Å; G127-G130 PolarHBondContact O-N 2.92Å; G130-L133 WeakPolarHBondContact O-CB 3.42Å; G130-L133 PolarHBondContact O-N 2.89Å; G130-S134 PolarHBondContact O-N 3.29Å; G130-S134 PolarHBondContact O-OG 3.5Å
131Q87.7Confident78.1Confident128 Ų12877.6 Ų77.660%0.59843%0.434SS*.Hα-helixtrans-65.9-38.9175.5-167.4-175.667.400112.1G127 A128 I129 S134 N135G127-Q131 WeakPolarHBondContact O-CB 3.26Å; G127-Q131 PolarHBondContact O-N 3.24Å; A128-Q131 PolarHBondContact O-N 2.76Å; I129-Q131 VanDerWaalsContact C-N 3.33Å; I129-Q131 PolarHBondContact O-N 2.87Å; Q131-S134 PolarHBondContact O-N 3.48Å; Q131-N135 VanDerWaalsContact O-CB 3.25Å; Q131-N135 WeakPolarHBondContact O-CB 3.28Å; Q131-N135 VanDerWaalsContact O-CG 3.27Å; Q131-N135 PolarHBondContact O-N 3.4Å; Q131-N135 PolarHBondContact O-ND2 3.43Å
132R88.3Confident75.8Confident135 Ų13576.2 Ų76.251%0.50943%0.428SS..Hα-helixtrans-63.5-41.5172.5-74.1172.8-172.8-172.87.2111.6V114 A128 I129 S134 N135 G136V114-R132 HydrophobicContact CG2-CB 4.49Å; A128-R132 WeakPolarHBondContact O-CB 3.29Å; A128-R132 VanDerWaalsContact O-CG 3.24Å; A128-R132 WeakPolarHBondContact O-CG 3.43Å; A128-R132 PolarHBondContact O-N 2.7Å; I129-R132 WeakPolarHBondContact O-CB 3.42Å; I129-R132 PolarHBondContact O-N 2.79Å; I129-R132 VanDerWaalsContact O-N 3.17Å; R132-S134 VanDerWaalsContact C-N 3.35Å; R132-S134 PolarHBondContact O-N 2.85Å; R132-N135 PolarHBondContact O-N 3.41Å; R132-G136 WeakPolarHBondContact O-CA 3.47Å; R132-G136 PolarHBondContact O-N 2.78Å
133L87.8Confident74Confident8 Ų872.9 Ų72.94%0.04242%0.421CS..Hα-helixtrans-64.2-33.6175.6-77.3176000113.6V70 K79 V81 D113 V114 I129 G130V70-L133 HydrophobicContact CB-CD1 3.85Å; V70-L133 HydrophobicContact CG1-CD1 3.89Å; V70-L133 HydrophobicContact CG2-CD1 4.25Å; K79-L133 HydrophobicContact CB-CD1 4.11Å; K79-L133 HydrophobicContact CB-CD2 3.95Å; K79-L133 HydrophobicContact CD-CB 3.86Å; K79-L133 HydrophobicContact CD-CD1 4.37Å; K79-L133 HydrophobicContact CD-CD2 4.19Å; K79-L133 HydrophobicContact CD-CG 4.38Å; K79-L133 PolarHBondContact NZ-O 3.45Å; V81-L133 HydrophobicContact CG2-CD1 3.77Å; V81-L133 HydrophobicContact CG2-CD2 4.26Å; V81-L133 HydrophobicContact CG2-CG 4.29Å; D113-L133 HydrophobicContact CB-CD2 3.68Å; V114-L133 HydrophobicContact CB-CD2 4.09Å; V114-L133 HydrophobicContact CG1-CD2 3.47Å; V114-L133 VanDerWaalsContact CG1-CD2 3.47Å; V114-L133 HydrophobicContact CG1-CG 3.97Å; I129-L133 HydrophobicContact CG2-CD1 4.31Å; I129-L133 WeakPolarHBondContact O-CG 3.25Å; I129-L133 PolarHBondContact O-N 3.43Å; G130-L133 WeakPolarHBondContact O-CB 3.42Å; G130-L133 PolarHBondContact O-N 2.89Å
134S83.6Confident72Confident52 Ų5274 Ų7436%0.36443%0.431SS..Hα-helixtrans-78.9-41.6175-66.70000112.2D72 G130 Q131 R132 A138D72-S134 PolarHBondContact OD2-OG 3.42Å; G130-S134 PolarHBondContact O-N 3.29Å; G130-S134 PolarHBondContact O-OG 3.5Å; Q131-S134 PolarHBondContact O-N 3.48Å; R132-S134 VanDerWaalsContact C-N 3.35Å; R132-S134 PolarHBondContact O-N 2.85Å; S134-A138 PolarHBondContact O-N 2.9Å
135N78.1Confident70.1Confident89 Ų8978.1 Ų78.148%0.47645%0.452SS..Hα-helixtrans-75.7-26.9179.8-71.7-16.6000113.6Q131 R132 A138 R139Q131-N135 VanDerWaalsContact O-CB 3.25Å; Q131-N135 WeakPolarHBondContact O-CB 3.28Å; Q131-N135 VanDerWaalsContact O-CG 3.27Å; Q131-N135 PolarHBondContact O-N 3.4Å; Q131-N135 PolarHBondContact O-ND2 3.43Å; R132-N135 PolarHBondContact O-N 3.41Å; N135-A138 PolarHBondContact O-N 3.31Å; N135-R139 PolarHBondContact O-N 3.45Å
136G64.9Low68.2Low39 Ų3979.9 Ų79.940%0.40246%0.457SS..Hα-helixtrans-63.2-53.2177.700000111.5R132 A138 R139R132-G136 WeakPolarHBondContact O-CA 3.47Å; R132-G136 PolarHBondContact O-N 2.78Å; G136-A138 PolarHBondContact O-N 3.41Å; G136-R139 WeakPolarHBondContact O-CB 3.41Å; G136-R139 PolarHBondContact O-N 2.84Å
137L54Low66.5Low109 Ų10988.2 Ų88.257%0.57148%0.477SS*.Hα-helixtrans-60.8-34.9175.7-167.964.9000112R139 L140L137-R139 PolarHBondContact O-N 3.03Å; L137-L140 PolarHBondContact O-N 3.39Å
138A45.9Very low64.5Low49 Ų4991.4 Ų91.441%0.40548%0.482SS..Hα-helixtrans-63.8-17.8175.500000114S134 N135 G136 L140 S141S134-A138 PolarHBondContact O-N 2.9Å; N135-A138 PolarHBondContact O-N 3.31Å; G136-A138 PolarHBondContact O-N 3.41Å; A138-L140 PolarHBondContact O-N 2.98Å; A138-S141 CarbonylContact O-C 3.57Å; A138-S141 WeakPolarHBondContact O-CA 3.44Å; A138-S141 PolarHBondContact O-N 3.36Å; A138-S141 VanDerWaalsContact O-O 3.05Å
139R45.7Very low62.4Low223 Ų22398.1 Ų98.184%0.84250%0.5SS*.THydrogen-bonded Turntrans-68.5-18.5175.5-64.1-169-179.3-158.70.4113.7N135 G136 L137 S141N135-R139 PolarHBondContact O-N 3.45Å; G136-R139 WeakPolarHBondContact O-CB 3.41Å; G136-R139 PolarHBondContact O-N 2.84Å; L137-R139 PolarHBondContact O-N 3.03Å; R139-S141 VanDerWaalsContact C-N 3.3Å
140L42.8Very low60.2Low149 Ų149105.6 Ų105.678%0.7854%0.539SS*.THydrogen-bonded Turntrans-82.3-7168.3-61.2-179.5000113.1L137 A138L137-L140 PolarHBondContact O-N 3.39Å; A138-L140 PolarHBondContact O-N 2.98Å
141S42.7Very low58.2Low58 Ų58113.8 Ų113.841%0.40656%0.563SS.*SBendtrans-128.676.5178.1-76.10000110.6A138 R139A138-S141 CarbonylContact O-C 3.57Å; A138-S141 WeakPolarHBondContact O-CA 3.44Å; A138-S141 PolarHBondContact O-N 3.36Å; A138-S141 VanDerWaalsContact O-O 3.05Å; R139-S141 VanDerWaalsContact C-N 3.3Å
142S46.1Very low56.1Low53 Ų53116.2 Ų116.237%0.37157%0.574SS.*  trans-39.9140.9174.5170.10000112.3V144 L145 H146S142-V144 PolarHBondContact O-N 3.44Å; S142-V144 PolarHBondContact OG-N 2.64Å; S142-L145 WeakPolarHBondContact O-CA 3.46Å; S142-L145 WeakPolarHBondContact O-CB 3.35Å; S142-L145 PolarHBondContact O-N 3.3Å; S142-H146 PolarHBondContact O-N 3.23Å
143P53.9Low53.9Low108 Ų108115.1 Ų115.170%0.70158%0.578SS**Hα-helixtrans-52.8-25176.8-28.135.5000114.1H146 R147P143-H146 PolarHBondContact O-N 3.2Å; P143-R147 PolarHBondContact O-N 2.96Å
144V52.7Low52.1Low93 Ų93123.3 Ų123.356%0.56462%0.616SS**Hα-helixtrans-64.6-45172.3-177.60000111.4S142 H146 R147 L148S142-V144 PolarHBondContact O-N 3.44Å; S142-V144 PolarHBondContact OG-N 2.64Å; V144-H146 VanDerWaalsContact C-N 3.33Å; V144-H146 PolarHBondContact O-N 2.91Å; V144-R147 PolarHBondContact O-N 3.19Å; V144-L148 HydrophobicContact CG1-CD1 3.97Å; V144-L148 WeakPolarHBondContact O-CG 3.41Å; V144-L148 PolarHBondContact O-N 2.78Å; V144-L148 VanDerWaalsContact O-N 3.13Å
145L55.1Low50.6Low97 Ų97128.3 Ų128.351%0.50864%0.639SS.*Hα-helixtrans-66.2-35.4177.3-62178.9000111.8S142 R147 L148 R149S142-L145 WeakPolarHBondContact O-CA 3.46Å; S142-L145 WeakPolarHBondContact O-CB 3.35Å; S142-L145 PolarHBondContact O-N 3.3Å; L145-R147 PolarHBondContact O-N 3.4Å; L145-L148 HydrophobicContact CD2-CD1 4.33Å; L145-L148 PolarHBondContact O-N 3.17Å; L145-R149 PolarHBondContact O-N 3.47Å
146H51.2Low49.2Very low124 Ų124128.7 Ų128.757%0.57466%0.655SS**Hα-helixtrans-69.8-21.7176.5-146.7-64.8000113.3S142 P143 V144 R149S142-H146 PolarHBondContact O-N 3.23Å; P143-H146 PolarHBondContact O-N 3.2Å; V144-H146 VanDerWaalsContact C-N 3.33Å; V144-H146 PolarHBondContact O-N 2.91Å; H146-R149 PolarHBondContact CD2-NH1 3.3Å; H146-R149 PolarHBondContact CE1-NH1 2.89Å; H146-R149 PolarHBondContact NE2-NH1 2.86Å
147R55.5Low48.9Very low230 Ų230135.4 Ų135.487%0.86868%0.676SS**Hα-helixtrans-84.3-14.2166.8-87.8-176.5167.6176.9-2.9114.1P143 V144 L145P143-R147 PolarHBondContact O-N 2.96Å; V144-R147 PolarHBondContact O-N 3.19Å; L145-R147 PolarHBondContact O-N 3.4Å
148L46.1Very low48.8Very low114 Ų114136.4 Ų136.460%0.59769%0.689SS**  trans-955.6180-73.3168.6000113.9V144 L145 L150V144-L148 HydrophobicContact CG1-CD1 3.97Å; V144-L148 WeakPolarHBondContact O-CG 3.41Å; V144-L148 PolarHBondContact O-N 2.78Å; V144-L148 VanDerWaalsContact O-N 3.13Å; L145-L148 HydrophobicContact CD2-CD1 4.33Å; L145-L148 PolarHBondContact O-N 3.17Å; L148-L150 PolarHBondContact O-N 3.24Å
149R48.7Very low48.8Very low176 Ų176140.2 Ų140.266%0.66471%0.707SS**  trans-69.483.2159.6-71.2-162.4-179.6108.1-2.5109.2L145 H146 R151L145-R149 PolarHBondContact O-N 3.47Å; H146-R149 PolarHBondContact CD2-NH1 3.3Å; H146-R149 PolarHBondContact CE1-NH1 2.89Å; H146-R149 PolarHBondContact NE2-NH1 2.86Å; R149-R151 PolarHBondContact O-N 2.79Å
150L43.9Very low49.2Very low160 Ų160133.3 Ų133.384%0.83871%0.705SS**  trans-53.2132165.7-79.6167.8000108.8L148 E152L148-L150 PolarHBondContact O-N 3.24Å; L150-E152 PolarHBondContact O-N 3.5Å
151R47.1Very low50Low196 Ų196131.9 Ų131.974%0.7470%0.702SS**  trans-67.5119.1168-155.9-83.4-178.8160.7-0.3106.1R149 D153R149-R151 PolarHBondContact O-N 2.79Å; R151-D153 VanDerWaalsContact C-N 3.33Å; R151-D153 IonicContact CZ-OD1 2.71Å; R151-D153 IonicContact NH1-OD1 3.47Å; R151-D153 PolarHBondContact NH1-OD1 2.87Å; R151-D153 PolarHBondContact O-N 2.94Å
152E44.5Very low50.5Low179 Ų179136.6 Ų136.684%0.83673%0.729SS**  trans-71.988.6-176.4-169.4164.4-135.900109.5L150L150-E152 PolarHBondContact O-N 3.5Å
153D41.2Very low51.4Low111 Ų111142.2 Ų142.259%0.59474%0.743SS**  trans-9796.2173.3-84-33.3000109.7R151 N155R151-D153 VanDerWaalsContact C-N 3.33Å; R151-D153 IonicContact CZ-OD1 2.71Å; R151-D153 IonicContact NH1-OD1 3.47Å; R151-D153 PolarHBondContact NH1-OD1 2.87Å; R151-D153 PolarHBondContact O-N 2.94Å; D153-N155 PolarHBondContact O-N 3.46Å
154E51.3Low51.9Low180 Ų180145.7 Ų145.784%0.84175%0.75SS**  trans-65.378.5164-68.2-171.9103.100110.5
155N51Low53Low157 Ų157149.8 Ų149.884%0.8476%0.76SS**  trans175.8101.7146-104.2-80000111.8D153D153-N155 PolarHBondContact O-N 3.46Å
156A49.5Very low53.7Low98 Ų98149.6 Ų149.681%0.8176%0.763SS**  trans-152.8105.3163.200000110.6
157E57.6Low54.6Low180 Ų180148 Ų14884%0.84176%0.759SS**  trans-73.5150.2171.4-77.5-157.814000111.9V159E157-V159 PolarHBondContact O-N 2.99Å
158P53Low55.1Low130 Ų130140 Ų14084%0.84474%0.742SS**  trans-81.4106.6-171.1-7.826.5000112.1G160P158-G160 PolarHBondContact O-N 3.13Å
159V44.4Very low56Low129 Ų129137.1 Ų137.178%0.78273%0.734SS**  trans-84.5112.9170.4-174.70000109.6E157 T161E157-V159 PolarHBondContact O-N 2.99Å; V159-T161 PolarHBondContact O-N 3.35Å
160G55.8Low56.9Low78 Ų78133.2 Ų133.280%0.80473%0.73SS**  trans-67.7123.9-17800000113.2P158P158-G160 PolarHBondContact O-N 3.13Å
161T59.1Low58.1Low118 Ų118131.5 Ų131.572%0.72472%0.718SS**  trans-114.4138.3174.355.60000111.3V159 Y163V159-T161 PolarHBondContact O-N 3.35Å; T161-Y163 PolarHBondContact O-N 3.2Å
162T52.3Low58.7Low157 Ų157128.4 Ų128.496%0.96371%0.713SS**  trans-79.562179.1-46.20000111.1
163Y65.8Low59.6Low171 Ų171127.7 Ų127.767%0.67171%0.707SS**  trans-98.3109.1178.9-172.6-106000110.8T161 K165T161-Y163 PolarHBondContact O-N 3.2Å; Y163-K165 HydrophobicContact CD1-CB 4.44Å; Y163-K165 HydrophobicContact CE1-CB 4.17Å; Y163-K165 PolarHBondContact O-N 3.26Å
164Q64.6Low60.6Low181 Ų181133 Ų13385%0.84672%0.719SS**  trans-76.9117.4161.6-75.3-169.4-12.200108.4T166Q164-T166 PolarHBondContact O-N 3.38Å
165K75.8Confident61Low179 Ų179131.5 Ų131.578%0.77872%0.715SS**  trans-69.1113.9178.4-177.3-180179.5-177.60109.8Y163 D167Y163-K165 HydrophobicContact CD1-CB 4.44Å; Y163-K165 HydrophobicContact CE1-CB 4.17Å; Y163-K165 PolarHBondContact O-N 3.26Å; K165-D167 PolarHBondContact O-N 3.39Å; K165-D167 VanDerWaalsContact O-N 3.15Å
166T70.5Confident61.8Low93 Ų93127.5 Ų127.557%0.57169%0.694SS**  trans-57.8116.9168.1-50.10000108.9Q164 A168Q164-T166 PolarHBondContact O-N 3.38Å; T166-A168 PolarHBondContact O-N 3.23Å
167D68.5Low62.9Low92 Ų92130.3 Ų130.349%0.49268%0.683SS.*  trans-82.898.1177.3-171.81.9000110.2K165 A169 V170 E171K165-D167 PolarHBondContact O-N 3.39Å; K165-D167 VanDerWaalsContact O-N 3.15Å; D167-A169 PolarHBondContact O-N 2.98Å; D167-A169 VanDerWaalsContact O-N 3.11Å; D167-A169 VanDerWaalsContact OD1-CB 3.3Å; D167-A169 WeakPolarHBondContact OD1-CB 3.45Å; D167-A169 PolarHBondContact OD1-N 3.36Å; D167-V170 HydrophobicContact CB-CB 4.44Å; D167-V170 HydrophobicContact CB-CG2 4.06Å; D167-V170 WeakPolarHBondContact O-CB 3.47Å; D167-V170 PolarHBondContact O-N 3.1Å; D167-E171 PolarHBondContact O-N 2.82Å
168A66.3Low63.5Low61 Ų61128.3 Ų128.350%0.50467%0.674SS.*Hα-helixtrans-55.4-25.8175.100000112.7T166 V170 E171 M172T166-A168 PolarHBondContact O-N 3.23Å; A168-V170 PolarHBondContact O-N 3.5Å; A168-E171 PolarHBondContact O-N 3.13Å; A168-M172 VanDerWaalsContact O-CB 3.27Å; A168-M172 WeakPolarHBondContact O-CB 3.44Å; A168-M172 VanDerWaalsContact O-CG 3.25Å; A168-M172 WeakPolarHBondContact O-CG 3.39Å; A168-M172 PolarHBondContact O-N 3.5Å
169A64.6Low64.6Low53 Ų53127.7 Ų127.744%0.43866%0.66SS.*Hα-helixtrans-75.3-8.7175.700000113.9D167 K173D167-A169 PolarHBondContact O-N 2.98Å; D167-A169 VanDerWaalsContact O-N 3.11Å; D167-A169 VanDerWaalsContact OD1-CB 3.3Å; D167-A169 WeakPolarHBondContact OD1-CB 3.45Å; D167-A169 PolarHBondContact OD1-N 3.36Å; A169-K173 WeakPolarHBondContact O-CD 3.3Å; A169-K173 WeakPolarHBondContact O-CE 3.26Å; A169-K173 WeakPolarHBondContact O-CG 3.22Å; A169-K173 PolarHBondContact O-NZ 2.9Å
170V68.3Low66Low94 Ų94128.2 Ų128.257%0.5765%0.652SS**Hα-helixtrans-94.6-41.6167.6178.10000110D167 A168 K173D167-V170 HydrophobicContact CB-CB 4.44Å; D167-V170 HydrophobicContact CB-CG2 4.06Å; D167-V170 WeakPolarHBondContact O-CB 3.47Å; D167-V170 PolarHBondContact O-N 3.1Å; A168-V170 PolarHBondContact O-N 3.5Å; V170-K173 WeakPolarHBondContact O-CB 3.28Å; V170-K173 PolarHBondContact O-N 3.04Å
171E68.3Low66.9Low125 Ų125132.5 Ų132.558%0.58464%0.644SS**Hα-helixtrans-68.3-40.5-179.7-167157.1-141.800112.6D167 A168 K173 R174D167-E171 PolarHBondContact O-N 2.82Å; A168-E171 PolarHBondContact O-N 3.13Å; E171-K173 PolarHBondContact O-N 3.44Å; E171-K173 VanDerWaalsContact O-N 3.09Å; E171-R174 VanDerWaalsContact O-CB 3.27Å; E171-R174 WeakPolarHBondContact O-CB 3.26Å; E171-R174 PolarHBondContact O-N 3.4Å
172M59.8Low68.2Low130 Ų130131.5 Ų131.564%0.6463%0.631SS**THydrogen-bonded Turntrans-66.7-6.2174.2-69.9-133.375.800114.8A168A168-M172 VanDerWaalsContact O-CB 3.27Å; A168-M172 WeakPolarHBondContact O-CB 3.44Å; A168-M172 VanDerWaalsContact O-CG 3.25Å; A168-M172 WeakPolarHBondContact O-CG 3.39Å; A168-M172 PolarHBondContact O-N 3.5Å
173K63.8Low69.6Low164 Ų164130.4 Ų130.471%0.71362%0.615SS**THydrogen-bonded Turntrans-88.3-6171.3-67.8169.5-177.8149.90112.9A169 V170 E171A169-K173 WeakPolarHBondContact O-CD 3.3Å; A169-K173 WeakPolarHBondContact O-CE 3.26Å; A169-K173 WeakPolarHBondContact O-CG 3.22Å; A169-K173 PolarHBondContact O-NZ 2.9Å; V170-K173 WeakPolarHBondContact O-CB 3.28Å; V170-K173 PolarHBondContact O-N 3.04Å; E171-K173 PolarHBondContact O-N 3.44Å; E171-K173 VanDerWaalsContact O-N 3.09Å
174R62.6Low70.5Confident224 Ų224124.1 Ų124.185%0.84560%0.598SS**SBendtrans-86.2-23.8-176.2-164.7176.4-173.8-1792.4113.9E171E171-R174 VanDerWaalsContact O-CB 3.27Å; E171-R174 WeakPolarHBondContact O-CB 3.26Å; E171-R174 PolarHBondContact O-N 3.4Å
175I60.6Low71.8Confident147 Ų147121.7 Ų121.775%0.75459%0.585SS**SBendtrans-113.5131.3172.4-58.8178.1000106.4R177I175-R177 PolarHBondContact O-N 2.93Å
176N67.3Low72.5Confident74 Ų74118.7 Ų118.740%0.39657%0.572SS.*  trans-73.594.3-165.9-170.3-15.3000111.5E178 Q179 F180N176-E178 PolarHBondContact O-N 3.05Å; N176-E178 WeakPolarHBondContact OD1-CB 3.25Å; N176-E178 PolarHBondContact OD1-N 3.24Å; N176-E178 VanDerWaalsContact OD1-N 3.09Å; N176-Q179 HydrophobicContact CB-CB 4.06Å; N176-Q179 HydrophobicContact CB-CG 4.09Å; N176-Q179 VanDerWaalsContact ND2-CD 3.26Å; N176-Q179 WeakPolarHBondContact ND2-CG 3.24Å; N176-Q179 PolarHBondContact O-N 3.11Å; N176-Q179 VanDerWaalsContact O-N 3.13Å; N176-Q179 PolarHBondContact OD1-N 3.15Å; N176-F180 PolarHBondContact O-N 3.45Å
177R71.6Confident73.4Confident157 Ų157120.9 Ų120.959%0.59258%0.576SS**Hα-helixtrans-55.1-32.7178.2-171.4-177.969.5167.92.2112.6I175 F180 W181I175-R177 PolarHBondContact O-N 2.93Å; R177-F180 PolarHBondContact O-N 3.21Å; R177-W181 PolarHBondContact O-N 3.26Å
178E70.1Confident74.3Confident137 Ų137122.7 Ų122.764%0.6458%0.581SS**Hα-helixtrans-73.3-38.6-179.8-72.9155.4-154.700111.1N176 F180 W181 E182N176-E178 PolarHBondContact O-N 3.05Å; N176-E178 WeakPolarHBondContact OD1-CB 3.25Å; N176-E178 PolarHBondContact OD1-N 3.24Å; N176-E178 VanDerWaalsContact OD1-N 3.09Å; E178-F180 VanDerWaalsContact C-N 3.33Å; E178-F180 PolarHBondContact O-N 2.89Å; E178-W181 PolarHBondContact O-N 2.68Å; E178-E182 VanDerWaalsContact O-CB 3.24Å; E178-E182 WeakPolarHBondContact O-CB 3.27Å; E178-E182 PolarHBondContact O-N 3.5Å
179Q77.7Confident75.5Confident117 Ų117124.9 Ų124.955%0.54758%0.581SS.*Hα-helixtrans-61.2-37.5171.7-78.6171.2-12.800112.8N176 E182 Q183N176-Q179 HydrophobicContact CB-CB 4.06Å; N176-Q179 HydrophobicContact CB-CG 4.09Å; N176-Q179 VanDerWaalsContact ND2-CD 3.26Å; N176-Q179 WeakPolarHBondContact ND2-CG 3.24Å; N176-Q179 PolarHBondContact O-N 3.11Å; N176-Q179 VanDerWaalsContact O-N 3.13Å; N176-Q179 PolarHBondContact OD1-N 3.15Å; Q179-E182 PolarHBondContact O-N 3.4Å; Q179-Q183 WeakPolarHBondContact O-CB 3.47Å; Q179-Q183 PolarHBondContact O-N 3.01Å
180F72.8Confident76.9Confident140 Ų140127.7 Ų127.761%0.61459%0.588SS**Hα-helixtrans-64.2-45.6176.8-174.9-92.8000112N176 R177 E178 A184N176-F180 PolarHBondContact O-N 3.45Å; R177-F180 PolarHBondContact O-N 3.21Å; E178-F180 VanDerWaalsContact C-N 3.33Å; E178-F180 PolarHBondContact O-N 2.89Å; F180-A184 WeakPolarHBondContact O-CB 3.46Å; F180-A184 PolarHBondContact O-N 3.21Å
181W75.3Confident78.1Confident168 Ų168129.2 Ų129.264%0.63658%0.584SS**Hα-helixtrans-70.9-35176.5-68.8117.2000112.9R177 E178 K185R177-W181 PolarHBondContact O-N 3.26Å; E178-W181 PolarHBondContact O-N 2.68Å; W181-K185 WeakPolarHBondContact O-CB 3.5Å; W181-K185 PolarHBondContact O-N 3.03Å
182E85Confident79.2Confident97 Ų97130.1 Ų130.145%0.45359%0.585SS.*Hα-helixtrans-66.2-41.7174.7-169.8-169.3163.800111.4E178 Q179 K185 K186E178-E182 VanDerWaalsContact O-CB 3.24Å; E178-E182 WeakPolarHBondContact O-CB 3.27Å; E178-E182 PolarHBondContact O-N 3.5Å; Q179-E182 PolarHBondContact O-N 3.4Å; E182-K185 PolarHBondContact O-N 2.87Å; E182-K186 HydrophobicContact CG-CD 4.36Å; E182-K186 WeakPolarHBondContact O-CB 3.02Å; E182-K186 WeakPolarHBondContact O-CG 3.21Å; E182-K186 PolarHBondContact O-N 3.4Å; E182-K186 VanDerWaalsContact OE1-CE 3.29Å; E182-K186 WeakPolarHBondContact OE1-CE 3.46Å; E182-K186 IonicContact OE1-NZ 3.25Å; E182-K186 PolarHBondContact OE1-NZ 3.48Å
183Q83.3Confident80.7Confident135 Ų135130.2 Ų130.263%0.63159%0.585SS**Hα-helixtrans-66.9-47.9177.1-174.8170.72.200111.4Q179 K185 K186 E187Q179-Q183 WeakPolarHBondContact O-CB 3.47Å; Q179-Q183 PolarHBondContact O-N 3.01Å; Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-K185 PolarHBondContact O-N 3.45Å; Q183-K186 PolarHBondContact O-N 2.69Å; Q183-E187 WeakPolarHBondContact O-CB 3.4Å; Q183-E187 PolarHBondContact O-N 2.94Å
184A84.1Confident82Confident39 Ų39128.8 Ų128.832%0.32258%0.58SS.*Hα-helixtrans-60.5-39.5175.700000112.2F180 E187 E188F180-A184 WeakPolarHBondContact O-CB 3.46Å; F180-A184 PolarHBondContact O-N 3.21Å; A184-E187 PolarHBondContact O-N 3.37Å; A184-E188 PolarHBondContact O-N 3.18Å
185K90.8Very high83.4Confident129 Ų129122.9 Ų122.956%0.56156%0.562SS**Hα-helixtrans-66.2-43.3174.8-175-173.1171.1-1640112W181 E182 Q183 E187 E188 E189W181-K185 WeakPolarHBondContact O-CB 3.5Å; W181-K185 PolarHBondContact O-N 3.03Å; E182-K185 PolarHBondContact O-N 2.87Å; Q183-K185 VanDerWaalsContact C-N 3.31Å; Q183-K185 PolarHBondContact O-N 3.45Å; K185-E187 VanDerWaalsContact C-N 3.28Å; K185-E187 PolarHBondContact O-N 3.01Å; K185-E188 PolarHBondContact O-N 3.42Å; K185-E189 VanDerWaalsContact O-CB 3.28Å; K185-E189 WeakPolarHBondContact O-CB 3.14Å; K185-E189 PolarHBondContact O-N 2.81Å
186K91.9Very high85Confident116 Ų116124.9 Ų124.950%0.50456%0.56SS.*Hα-helixtrans-64.8-33.2176.4-78.8176.2179.91720112.4E182 Q183 L190E182-K186 HydrophobicContact CG-CD 4.36Å; E182-K186 WeakPolarHBondContact O-CB 3.02Å; E182-K186 WeakPolarHBondContact O-CG 3.21Å; E182-K186 PolarHBondContact O-N 3.4Å; E182-K186 VanDerWaalsContact OE1-CE 3.29Å; E182-K186 WeakPolarHBondContact OE1-CE 3.46Å; E182-K186 IonicContact OE1-NZ 3.25Å; E182-K186 PolarHBondContact OE1-NZ 3.48Å; Q183-K186 PolarHBondContact O-N 2.69Å; K186-L190 WeakPolarHBondContact O-CB 3.36Å; K186-L190 PolarHBondContact O-N 3.3Å
187E87.8Confident86.3Confident140 Ų140127.6 Ų127.665%0.65457%0.569SS**Hα-helixtrans-68.2-44.1173.8-171172.7-179.400111.6Q183 A184 K185 R191Q183-E187 WeakPolarHBondContact O-CB 3.4Å; Q183-E187 PolarHBondContact O-N 2.94Å; A184-E187 PolarHBondContact O-N 3.37Å; K185-E187 VanDerWaalsContact C-N 3.28Å; K185-E187 PolarHBondContact O-N 3.01Å; E187-R191 VanDerWaalsContact O-CB 3.29Å; E187-R191 WeakPolarHBondContact O-CB 3.3Å; E187-R191 PolarHBondContact O-N 3.49Å
188E88.1Confident87.5Confident129 Ų129127 Ų12760%0.60357%0.57SS**Hα-helixtrans-60.8-44.9172.2-176.4-173.6-163.700112.3A184 K185 R191 K192A184-E188 PolarHBondContact O-N 3.18Å; K185-E188 PolarHBondContact O-N 3.42Å; E188-R191 PolarHBondContact O-N 3.48Å; E188-K192 WeakPolarHBondContact O-CB 3.42Å; E188-K192 PolarHBondContact O-N 3.38Å
189E92.2Very high88.6Confident107 Ų107123.1 Ų123.150%0.556%0.562SS.*Hα-helixtrans-64.5-46.6-179.7-170.6157-141.500111K185 R191 K192 E193K185-E189 VanDerWaalsContact O-CB 3.28Å; K185-E189 WeakPolarHBondContact O-CB 3.14Å; K185-E189 PolarHBondContact O-N 2.81Å; E189-R191 PolarHBondContact O-N 3.32Å; E189-K192 PolarHBondContact O-N 3.36Å; E189-E193 WeakPolarHBondContact O-CG 3.44Å; E189-E193 PolarHBondContact O-N 3.25Å
190L94.3Very high89.4Confident112 Ų112122.5 Ų122.559%0.58656%0.562SS**Hα-helixtrans-63.7-41.5176.1-171.1154.4000112K186 K192 E193 E194K186-L190 WeakPolarHBondContact O-CB 3.36Å; K186-L190 PolarHBondContact O-N 3.3Å; L190-K192 VanDerWaalsContact C-N 3.27Å; L190-K192 PolarHBondContact O-N 3.09Å; L190-E193 PolarHBondContact O-N 3.03Å; L190-E194 PolarHBondContact O-N 3.23Å
191R93.3Very high90.3Very high127 Ų127119.6 Ų119.648%0.47955%0.552SS.*Hα-helixtrans-57.2-42.3173.5-167.8-160.377.671.920.9111.3E187 E188 E189 E194 E195E187-R191 VanDerWaalsContact O-CB 3.29Å; E187-R191 WeakPolarHBondContact O-CB 3.3Å; E187-R191 PolarHBondContact O-N 3.49Å; E188-R191 PolarHBondContact O-N 3.48Å; E189-R191 PolarHBondContact O-N 3.32Å; R191-E194 PolarHBondContact O-N 2.88Å; R191-E195 IonicContact CZ-OE1 2.77Å; R191-E195 IonicContact CZ-OE2 2.75Å; R191-E195 VanDerWaalsContact CZ-OE2 3.25Å; R191-E195 IonicContact NH1-OE1 3.12Å; R191-E195 PolarHBondContact NH1-OE1 2.8Å; R191-E195 IonicContact NH1-OE2 2.83Å; R191-E195 PolarHBondContact NH1-OE2 2.98Å; R191-E195 IonicContact NH2-OE1 2.62Å; R191-E195 IonicContact NH2-OE2 3.11Å; R191-E195 PolarHBondContact NH2-OE2 3.49Å; R191-E195 WeakPolarHBondContact O-CG 3.19Å; R191-E195 PolarHBondContact O-N 2.75Å; R191-E195 VanDerWaalsContact O-N 3.09Å
192K91.2Very high91.3Very high143 Ų143116.1 Ų116.162%0.62254%0.544SS*.Hα-helixtrans-73.4-32.9179-166.1168.1-170.9163.20112.8E188 E189 L190 R196E188-K192 WeakPolarHBondContact O-CB 3.42Å; E188-K192 PolarHBondContact O-N 3.38Å; E189-K192 PolarHBondContact O-N 3.36Å; L190-K192 VanDerWaalsContact C-N 3.27Å; L190-K192 PolarHBondContact O-N 3.09Å; K192-R196 VanDerWaalsContact O-CB 3.26Å; K192-R196 WeakPolarHBondContact O-CB 3.18Å; K192-R196 PolarHBondContact O-N 3.33Å
193E91.5Very high91.6Very high133 Ų133119.7 Ų119.762%0.62155%0.553SS**Hα-helixtrans-68.9-37.7170.7-72.5-159.4142.900112.3E189 L190 R196 K197E189-E193 WeakPolarHBondContact O-CG 3.44Å; E189-E193 PolarHBondContact O-N 3.25Å; L190-E193 PolarHBondContact O-N 3.03Å; E193-R196 PolarHBondContact O-N 3.02Å; E193-K197 WeakPolarHBondContact O-CB 3.39Å; E193-K197 PolarHBondContact O-N 3Å
194E90.4Very high92.2Very high134 Ų134117.3 Ų117.363%0.62654%0.544SS*.Hα-helixtrans-65-45174.9-174.3170.4-156.700111.6L190 R191 R196 K197 K198L190-E194 PolarHBondContact O-N 3.23Å; R191-E194 PolarHBondContact O-N 2.88Å; E194-R196 PolarHBondContact O-N 3.37Å; E194-K197 PolarHBondContact O-N 2.89Å; E194-K198 VanDerWaalsContact O-CB 3.3Å; E194-K198 WeakPolarHBondContact O-CB 3.5Å; E194-K198 PolarHBondContact O-N 3.37Å
195E91.8Very high92.8Very high100 Ų100124.3 Ų124.347%0.46756%0.562SS.*Hα-helixtrans-58.9-46.9172.5-74176.9151.600111.9R191 K197 K198 A199R191-E195 IonicContact CZ-OE1 2.77Å; R191-E195 IonicContact CZ-OE2 2.75Å; R191-E195 VanDerWaalsContact CZ-OE2 3.25Å; R191-E195 IonicContact NH1-OE1 3.12Å; R191-E195 PolarHBondContact NH1-OE1 2.8Å; R191-E195 IonicContact NH1-OE2 2.83Å; R191-E195 PolarHBondContact NH1-OE2 2.98Å; R191-E195 IonicContact NH2-OE1 2.62Å; R191-E195 IonicContact NH2-OE2 3.11Å; R191-E195 PolarHBondContact NH2-OE2 3.49Å; R191-E195 WeakPolarHBondContact O-CG 3.19Å; R191-E195 PolarHBondContact O-N 2.75Å; R191-E195 VanDerWaalsContact O-N 3.09Å; E195-K197 PolarHBondContact O-N 2.75Å; E195-K198 PolarHBondContact O-N 3.47Å; E195-A199 PolarHBondContact O-N 2.97Å
196R93.6Very high92.9Very high188 Ų188124.3 Ų124.371%0.70956%0.562SS**Hα-helixtrans-63.5-40178.1-175.3178.5-175.11752.4112.3K192 E193 E194 A199 L200K192-R196 VanDerWaalsContact O-CB 3.26Å; K192-R196 WeakPolarHBondContact O-CB 3.18Å; K192-R196 PolarHBondContact O-N 3.33Å; E193-R196 PolarHBondContact O-N 3.02Å; E194-R196 PolarHBondContact O-N 3.37Å; R196-A199 PolarHBondContact O-N 3.38Å; R196-L200 WeakPolarHBondContact O-CG 3.3Å; R196-L200 PolarHBondContact O-N 3.15Å; R196-L200 VanDerWaalsContact O-N 3.15Å
197K96.5Very high92.9Very high132 Ų132123.2 Ų123.257%0.57456%0.559SS**Hα-helixtrans-66.8-46176.7-178.2-174.9172.9-172.20110.7E193 E194 E195 A199 L200 D201E193-K197 WeakPolarHBondContact O-CB 3.39Å; E193-K197 PolarHBondContact O-N 3Å; E194-K197 PolarHBondContact O-N 2.89Å; E195-K197 PolarHBondContact O-N 2.75Å; K197-A199 VanDerWaalsContact C-N 3.29Å; K197-A199 PolarHBondContact O-N 3.02Å; K197-L200 WeakPolarHBondContact O-CA 3.46Å; K197-L200 WeakPolarHBondContact O-CB 3.29Å; K197-L200 PolarHBondContact O-N 3.37Å; K197-D201 PolarHBondContact O-N 2.88Å
198K96.3Very high93.2Very high144 Ų144122 Ų12263%0.62655%0.553SS**Hα-helixtrans-55.8-44.5175.2-178.3-174.3166.3-167.30111.2E194 E195 L200 D201 E202E194-K198 VanDerWaalsContact O-CB 3.3Å; E194-K198 WeakPolarHBondContact O-CB 3.5Å; E194-K198 PolarHBondContact O-N 3.37Å; E195-K198 PolarHBondContact O-N 3.47Å; K198-L200 VanDerWaalsContact C-N 3.31Å; K198-L200 PolarHBondContact O-N 2.91Å; K198-D201 PolarHBondContact O-N 3.43Å; K198-E202 WeakPolarHBondContact O-CB 3.29Å; K198-E202 PolarHBondContact O-N 3.01Å
199A93.4Very high93.5Very high56 Ų56122 Ų12246%0.46355%0.553SS.*Hα-helixtrans-63.7-32.7176.100000113.5E195 R196 K197 R203E195-A199 PolarHBondContact O-N 2.97Å; R196-A199 PolarHBondContact O-N 3.38Å; K197-A199 VanDerWaalsContact C-N 3.29Å; K197-A199 PolarHBondContact O-N 3.02Å; A199-R203 VanDerWaalsContact O-CB 3.26Å; A199-R203 WeakPolarHBondContact O-CB 3.2Å; A199-R203 PolarHBondContact O-N 3.3Å
200L93.6Very high93.6Very high103 Ų103123.7 Ų123.754%0.53956%0.555SS.*Hα-helixtrans-72.9-43.4172.9-70172.3000112.2R196 K197 K198 E202 R203 L204R196-L200 WeakPolarHBondContact O-CG 3.3Å; R196-L200 PolarHBondContact O-N 3.15Å; R196-L200 VanDerWaalsContact O-N 3.15Å; K197-L200 WeakPolarHBondContact O-CA 3.46Å; K197-L200 WeakPolarHBondContact O-CB 3.29Å; K197-L200 PolarHBondContact O-N 3.37Å; K198-L200 VanDerWaalsContact C-N 3.31Å; K198-L200 PolarHBondContact O-N 2.91Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 3.03Å; L200-R203 PolarHBondContact O-N 2.86Å; L200-L204 VanDerWaalsContact O-CB 3.29Å; L200-L204 WeakPolarHBondContact O-CB 3.49Å; L200-L204 PolarHBondContact O-N 3.41Å
201D92.4Very high93.5Very high79 Ų79123 Ų12342%0.42255%0.55SS.*Hα-helixtrans-64.6-37.2176.9-72.1-25.4000111.3K197 K198 R205K197-D201 PolarHBondContact O-N 2.88Å; K198-D201 PolarHBondContact O-N 3.43Å; D201-R205 WeakPolarHBondContact O-CG 3.21Å; D201-R205 PolarHBondContact O-N 3.04Å
202E95.3Very high93.5Very high96 Ų96121.5 Ų121.545%0.44955%0.548SS..Hα-helixtrans-68.7-47.2174.5-179.6159.7-150.400112K198 L200 L204 R205 F206K198-E202 WeakPolarHBondContact O-CB 3.29Å; K198-E202 PolarHBondContact O-N 3.01Å; L200-E202 VanDerWaalsContact C-N 3.32Å; L200-E202 PolarHBondContact O-N 3.03Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 PolarHBondContact O-N 3.5Å; E202-R205 WeakPolarHBondContact O-CB 3.43Å; E202-R205 PolarHBondContact O-N 2.84Å; E202-R205 VanDerWaalsContact O-N 3.15Å; E202-F206 HydrophobicContact CG-CD2 4.06Å; E202-F206 HydrophobicContact CG-CE2 3.72Å; E202-F206 VanDerWaalsContact O-CD2 3.3Å; E202-F206 WeakPolarHBondContact O-CD2 3.45Å; E202-F206 PolarHBondContact O-N 3.36Å
203R93Very high93.5Very high172 Ų172121.2 Ų121.265%0.64955%0.549SS*.Hα-helixtrans-58.3-41.4172.1176.9177.9168.8171.2-1.4112.1A199 L200 R205 F206 E207A199-R203 VanDerWaalsContact O-CB 3.26Å; A199-R203 WeakPolarHBondContact O-CB 3.2Å; A199-R203 PolarHBondContact O-N 3.3Å; L200-R203 PolarHBondContact O-N 2.86Å; R203-R205 VanDerWaalsContact C-N 3.33Å; R203-F206 PolarHBondContact O-N 3.49Å; R203-E207 PolarHBondContact O-N 2.98Å
204L95.8Very high93.6Very high85 Ų85120 Ų12045%0.44554%0.544SS..Hα-helixtrans-65-36.7177.6-178.263.7000111.6L200 E202 E207 Q208L200-L204 VanDerWaalsContact O-CB 3.29Å; L200-L204 WeakPolarHBondContact O-CB 3.49Å; L200-L204 PolarHBondContact O-N 3.41Å; E202-L204 VanDerWaalsContact C-N 3.29Å; E202-L204 PolarHBondContact O-N 3.5Å; L204-E207 PolarHBondContact O-N 3.36Å; L204-Q208 WeakPolarHBondContact O-CB 3.4Å; L204-Q208 VanDerWaalsContact O-CG 3.25Å; L204-Q208 WeakPolarHBondContact O-CG 3.18Å; L204-Q208 PolarHBondContact O-N 3.47Å
205R95.9Very high93.9Very high185 Ų185118.6 Ų118.670%0.69853%0.533SS*.Hα-helixtrans-63.3-48.9172.3-75.6171.3-179.7-137.61.7112D201 E202 R203 E207 Q208 E209D201-R205 WeakPolarHBondContact O-CG 3.21Å; D201-R205 PolarHBondContact O-N 3.04Å; E202-R205 WeakPolarHBondContact O-CB 3.43Å; E202-R205 PolarHBondContact O-N 2.84Å; E202-R205 VanDerWaalsContact O-N 3.15Å; R203-R205 VanDerWaalsContact C-N 3.33Å; R205-E207 VanDerWaalsContact C-N 3.28Å; R205-E207 PolarHBondContact O-N 2.84Å; R205-Q208 PolarHBondContact O-N 3.15Å; R205-E209 WeakPolarHBondContact O-CB 3.27Å; R205-E209 PolarHBondContact O-N 3.34Å
206F92.4Very high94.1Very high129 Ų129119 Ų11957%0.56653%0.534SS*.Hα-helixtrans-61.3-36.8177-76.6-61.9000112.5E202 R203 R210E202-F206 HydrophobicContact CG-CD2 4.06Å; E202-F206 HydrophobicContact CG-CE2 3.72Å; E202-F206 VanDerWaalsContact O-CD2 3.3Å; E202-F206 WeakPolarHBondContact O-CD2 3.45Å; E202-F206 PolarHBondContact O-N 3.36Å; R203-F206 PolarHBondContact O-N 3.49Å; F206-R210 WeakPolarHBondContact O-CB 3.29Å; F206-R210 PolarHBondContact O-N 3.09Å
207E93Very high94.1Very high93 Ų93114.7 Ų114.744%0.43552%0.522SS..Hα-helixtrans-67.9-42.2174.3-173.2155.2-138.300112R203 L204 R205 M211R203-E207 PolarHBondContact O-N 2.98Å; L204-E207 PolarHBondContact O-N 3.36Å; R205-E207 VanDerWaalsContact C-N 3.28Å; R205-E207 PolarHBondContact O-N 2.84Å; E207-M211 WeakPolarHBondContact O-CB 3.35Å; E207-M211 WeakPolarHBondContact O-CG 3.41Å; E207-M211 PolarHBondContact O-N 2.79Å
208Q93Very high94Very high116 Ų116112.1 Ų112.154%0.54251%0.512SS..Hα-helixtrans-63.5-44.3174.1-74.8173.910.300112.5L204 R205 M211 E212L204-Q208 WeakPolarHBondContact O-CB 3.4Å; L204-Q208 VanDerWaalsContact O-CG 3.25Å; L204-Q208 WeakPolarHBondContact O-CG 3.18Å; L204-Q208 PolarHBondContact O-N 3.47Å; R205-Q208 PolarHBondContact O-N 3.15Å; Q208-M211 PolarHBondContact O-N 2.87Å; Q208-E212 WeakPolarHBondContact O-CB 3.37Å; Q208-E212 PolarHBondContact O-N 2.86Å
209E94Very high94Very high129 Ų129110.1 Ų110.160%0.60351%0.505SS*.Hα-helixtrans-64.2-43.4178.7-176.9168.8-151.100111.5R205 M211 E212 Q213R205-E209 WeakPolarHBondContact O-CB 3.27Å; R205-E209 PolarHBondContact O-N 3.34Å; E209-M211 PolarHBondContact O-N 3.24Å; E209-E212 PolarHBondContact O-N 3.5Å; E209-Q213 WeakPolarHBondContact O-CB 3.29Å; E209-Q213 PolarHBondContact O-N 2.97Å
210R95.6Very high94.1Very high142 Ų142111 Ų11154%0.53650%0.5SS..Hα-helixtrans-63.1-42.3174.6-163-16375.3-156.3-6112F206 E212 Q213 E214F206-R210 WeakPolarHBondContact O-CB 3.29Å; F206-R210 PolarHBondContact O-N 3.09Å; R210-E212 VanDerWaalsContact C-N 3.34Å; R210-Q213 PolarHBondContact O-N 3.45Å; R210-E214 PolarHBondContact O-N 3.32Å
211M91.9Very high94.2Very high98 Ų98111 Ų11148%0.48349%0.493SS..Hα-helixtrans-66.4-35.2176.1-71.8-61.9-55.900112.2E207 Q208 E209 R215E207-M211 WeakPolarHBondContact O-CB 3.35Å; E207-M211 WeakPolarHBondContact O-CG 3.41Å; E207-M211 PolarHBondContact O-N 2.79Å; Q208-M211 PolarHBondContact O-N 2.87Å; E209-M211 PolarHBondContact O-N 3.24Å; M211-R215 VanDerWaalsContact O-CB 3.31Å; M211-R215 WeakPolarHBondContact O-CB 3.45Å; M211-R215 PolarHBondContact O-N 2.91Å
212E93.9Very high94.3Very high94 Ų94110.6 Ų110.644%0.43949%0.488SS..Hα-helixtrans-69.1-41.1173.1173.8127-10600111.5Q208 E209 R210 R215 Q216Q208-E212 WeakPolarHBondContact O-CB 3.37Å; Q208-E212 PolarHBondContact O-N 2.86Å; E209-E212 PolarHBondContact O-N 3.5Å; R210-E212 VanDerWaalsContact C-N 3.34Å; E212-R215 WeakPolarHBondContact O-CB 3.23Å; E212-R215 PolarHBondContact O-N 3.45Å; E212-R215 IonicContact OE1-CZ 3.18Å; E212-R215 IonicContact OE1-NE 2.82Å; E212-R215 PolarHBondContact OE1-NE 3.22Å; E212-R215 IonicContact OE1-NH2 2.75Å; E212-R215 PolarHBondContact OE1-NH2 3.01Å; E212-Q216 HydrophobicContact CG-CG 4.43Å; E212-Q216 VanDerWaalsContact CG-NE2 3.33Å; E212-Q216 WeakPolarHBondContact O-CB 3.48Å; E212-Q216 WeakPolarHBondContact O-CG 3.32Å; E212-Q216 PolarHBondContact O-N 2.89Å
213Q90.3Very high94.5Very high138 Ų138113.6 Ų113.665%0.64550%0.495SS*.Hα-helixtrans-62.5-44.5175.4-167.7-179.94100111.4E209 R210 Q216 E217E209-Q213 WeakPolarHBondContact O-CB 3.29Å; E209-Q213 PolarHBondContact O-N 2.97Å; R210-Q213 PolarHBondContact O-N 3.45Å; Q213-Q216 PolarHBondContact O-N 2.92Å; Q213-E217 PolarHBondContact O-N 3.27Å
214E93.1Very high94.6Very high108 Ų108111.8 Ų111.851%0.50549%0.489SS..Hα-helixtrans-62.9-41.2174.2-174.4173.4-173.300111.8R210 E217 Q218R210-E214 PolarHBondContact O-N 3.32Å; E214-E217 PolarHBondContact O-N 3.4Å; E214-Q218 VanDerWaalsContact O-CB 3.31Å; E214-Q218 WeakPolarHBondContact O-CB 3.46Å; E214-Q218 PolarHBondContact O-N 2.88Å
215R97.3Very high94.6Very high104 Ų104115 Ų11539%0.39250%0.496SS..Hα-helixtrans-60-47.6173.6-177-171.271.374.51.6111.7M211 E212 Q218 E219M211-R215 VanDerWaalsContact O-CB 3.31Å; M211-R215 WeakPolarHBondContact O-CB 3.45Å; M211-R215 PolarHBondContact O-N 2.91Å; E212-R215 WeakPolarHBondContact O-CB 3.23Å; E212-R215 PolarHBondContact O-N 3.45Å; E212-R215 IonicContact OE1-CZ 3.18Å; E212-R215 IonicContact OE1-NE 2.82Å; E212-R215 PolarHBondContact OE1-NE 3.22Å; E212-R215 IonicContact OE1-NH2 2.75Å; E212-R215 PolarHBondContact OE1-NH2 3.01Å; R215-Q218 PolarHBondContact O-N 3.13Å; R215-E219 WeakPolarHBondContact CG-OE1 3.49Å; R215-E219 IonicContact CZ-OE1 2.78Å; R215-E219 IonicContact CZ-OE2 2.71Å; R215-E219 IonicContact NH1-OE1 3.59Å; R215-E219 PolarHBondContact NH1-OE1 3.02Å; R215-E219 IonicContact NH1-OE2 3.61Å; R215-E219 PolarHBondContact NH1-OE2 3.09Å; R215-E219 WeakPolarHBondContact O-CB 3.17Å; R215-E219 WeakPolarHBondContact O-CG 3.36Å; R215-E219 PolarHBondContact O-N 3.19Å
216Q95.4Very high94.6Very high107 Ų107112.7 Ų112.750%0.549%0.487SS..Hα-helixtrans-64.9-42.1179.6-73.3-178.932.100111.5E212 Q213 E219 E220E212-Q216 HydrophobicContact CG-CG 4.43Å; E212-Q216 VanDerWaalsContact CG-NE2 3.33Å; E212-Q216 WeakPolarHBondContact O-CB 3.48Å; E212-Q216 WeakPolarHBondContact O-CG 3.32Å; E212-Q216 PolarHBondContact O-N 2.89Å; Q213-Q216 PolarHBondContact O-N 2.92Å; Q216-E219 PolarHBondContact O-N 2.85Å; Q216-E220 WeakPolarHBondContact O-CB 3.48Å; Q216-E220 PolarHBondContact O-N 2.61Å
217E94.1Very high94.8Very high98 Ų98110.9 Ų110.946%0.45848%0.48SS..Hα-helixtrans-66.1-39.1175.8-151.1-149.8144.500111.5Q213 E214 E220 R221Q213-E217 PolarHBondContact O-N 3.27Å; E214-E217 PolarHBondContact O-N 3.4Å; E217-E220 PolarHBondContact O-N 3.28Å; E217-R221 VanDerWaalsContact CD-NE 3.33Å; E217-R221 WeakPolarHBondContact O-CB 3.31Å; E217-R221 WeakPolarHBondContact O-CD 3.45Å; E217-R221 WeakPolarHBondContact O-CG 3.43Å; E217-R221 PolarHBondContact O-N 2.82Å; E217-R221 IonicContact OE1-CZ 3.17Å; E217-R221 IonicContact OE1-NE 2.68Å; E217-R221 PolarHBondContact OE1-NE 3.11Å; E217-R221 IonicContact OE1-NH2 3.55Å; E217-R221 PolarHBondContact OE1-NH2 2.91Å; E217-R221 IonicContact OE2-CZ 3.83Å; E217-R221 IonicContact OE2-NE 3.65Å; E217-R221 IonicContact OE2-NH2 3.46Å; E217-R221 PolarHBondContact OE2-NH2 3.24Å
218Q94.8Very high94.9Very high78 Ų78112.1 Ų112.136%0.36448%0.481SS..Hα-helixtrans-63.4-43.1174179.557.82100112.3E214 R215 E220 R221 E222E214-Q218 VanDerWaalsContact O-CB 3.31Å; E214-Q218 WeakPolarHBondContact O-CB 3.46Å; E214-Q218 PolarHBondContact O-N 2.88Å; R215-Q218 PolarHBondContact O-N 3.13Å; Q218-E220 VanDerWaalsContact C-N 3.34Å; Q218-E220 PolarHBondContact O-N 2.94Å; Q218-R221 PolarHBondContact O-N 2.74Å; Q218-E222 PolarHBondContact NE2-OE1 3.49Å; Q218-E222 WeakPolarHBondContact O-CB 3.46Å; Q218-E222 WeakPolarHBondContact O-CG 3.31Å; Q218-E222 PolarHBondContact O-N 2.9Å
219E96.3Very high94.9Very high103 Ų103113.1 Ų113.148%0.48149%0.486SS..Hα-helixtrans-65-35.7174.4-77.3172.9-163.400112.2R215 Q216 R223R215-E219 WeakPolarHBondContact CG-OE1 3.49Å; R215-E219 IonicContact CZ-OE1 2.78Å; R215-E219 IonicContact CZ-OE2 2.71Å; R215-E219 IonicContact NH1-OE1 3.59Å; R215-E219 PolarHBondContact NH1-OE1 3.02Å; R215-E219 IonicContact NH1-OE2 3.61Å; R215-E219 PolarHBondContact NH1-OE2 3.09Å; R215-E219 WeakPolarHBondContact O-CB 3.17Å; R215-E219 WeakPolarHBondContact O-CG 3.36Å; R215-E219 PolarHBondContact O-N 3.19Å; Q216-E219 PolarHBondContact O-N 2.85Å; E219-R223 VanDerWaalsContact O-CB 3.27Å; E219-R223 WeakPolarHBondContact O-CB 3.36Å; E219-R223 PolarHBondContact O-N 2.87Å
220E95.8Very high95.1Very high75 Ų75113.2 Ų113.235%0.3549%0.486SS..Hα-helixtrans-72.6-41.5175.8-144.3-128.6140.800112.1Q216 E217 Q218 E222 R223 R224Q216-E220 WeakPolarHBondContact O-CB 3.48Å; Q216-E220 PolarHBondContact O-N 2.61Å; E217-E220 PolarHBondContact O-N 3.28Å; Q218-E220 VanDerWaalsContact C-N 3.34Å; Q218-E220 PolarHBondContact O-N 2.94Å; E220-E222 VanDerWaalsContact C-N 3.35Å; E220-E222 PolarHBondContact O-N 3.48Å; E220-R223 WeakPolarHBondContact O-CB 3.42Å; E220-R223 PolarHBondContact O-N 2.75Å; E220-R224 VanDerWaalsContact O-CG 3.29Å; E220-R224 WeakPolarHBondContact O-CG 3.38Å; E220-R224 PolarHBondContact O-N 3.49Å; E220-R224 IonicContact OE1-CZ 3.21Å; E220-R224 IonicContact OE1-NE 2.75Å; E220-R224 PolarHBondContact OE1-NE 3.27Å; E220-R224 IonicContact OE1-NH2 3.11Å; E220-R224 PolarHBondContact OE1-NH2 3.31Å; E220-R224 IonicContact OE2-CZ 2.69Å; E220-R224 IonicContact OE2-NE 2.75Å; E220-R224 IonicContact OE2-NH2 3.4Å; E220-R224 PolarHBondContact OE2-NH2 2.88Å
221R95.1Very high95.1Very high101 Ų101111.7 Ų111.738%0.38149%0.485SS..Hα-helixtrans-55.9-50.2170.2-71.6161.8-177.7172.3-0.6110E217 Q218 R223 R224 Y225E217-R221 VanDerWaalsContact CD-NE 3.33Å; E217-R221 WeakPolarHBondContact O-CB 3.31Å; E217-R221 WeakPolarHBondContact O-CD 3.45Å; E217-R221 WeakPolarHBondContact O-CG 3.43Å; E217-R221 PolarHBondContact O-N 2.82Å; E217-R221 IonicContact OE1-CZ 3.17Å; E217-R221 IonicContact OE1-NE 2.68Å; E217-R221 PolarHBondContact OE1-NE 3.11Å; E217-R221 IonicContact OE1-NH2 3.55Å; E217-R221 PolarHBondContact OE1-NH2 2.91Å; E217-R221 IonicContact OE2-CZ 3.83Å; E217-R221 IonicContact OE2-NE 3.65Å; E217-R221 IonicContact OE2-NH2 3.46Å; E217-R221 PolarHBondContact OE2-NH2 3.24Å; Q218-R221 PolarHBondContact O-N 2.74Å; R221-R223 PolarHBondContact O-N 3.37Å; R221-R224 CarbonylContact O-C 3.59Å; R221-R224 PolarHBondContact O-N 3.44Å; R221-Y225 WeakPolarHBondContact O-CD2 3.33Å; R221-Y225 PolarHBondContact O-N 3.49Å
222E95.4Very high95.2Very high71 Ų71112.6 Ų112.633%0.33249%0.491SS..Hα-helixtrans-63.3-39.7177.3-79.8-170.8-14200112.8Q218 E220 R224 Y225 R226Q218-E222 PolarHBondContact NE2-OE1 3.49Å; Q218-E222 WeakPolarHBondContact O-CB 3.46Å; Q218-E222 WeakPolarHBondContact O-CG 3.31Å; Q218-E222 PolarHBondContact O-N 2.9Å; E220-E222 VanDerWaalsContact C-N 3.35Å; E220-E222 PolarHBondContact O-N 3.48Å; E222-R224 PolarHBondContact O-N 2.82Å; E222-Y225 PolarHBondContact O-N 3.45Å; E222-Y225 VanDerWaalsContact O-N 3.11Å; E222-R226 WeakPolarHBondContact O-CB 3.25Å; E222-R226 VanDerWaalsContact O-CG 3.27Å; E222-R226 WeakPolarHBondContact O-CG 3.44Å; E222-R226 PolarHBondContact O-N 3.37Å; E222-R226 IonicContact OE2-CZ 2.8Å; E222-R226 IonicContact OE2-NE 3.43Å; E222-R226 IonicContact OE2-NH2 2.61Å; E222-R226 PolarHBondContact OE2-NH2 2.88Å
223R97.6Very high95.3Very high159 Ų159112 Ų11260%0.649%0.488SS*.Hα-helixtrans-58.3-46.9172.5-179.8176.1171.9-107.9-9.9111.3E219 E220 R221 Y225 R226 E227E219-R223 VanDerWaalsContact O-CB 3.27Å; E219-R223 WeakPolarHBondContact O-CB 3.36Å; E219-R223 PolarHBondContact O-N 2.87Å; E220-R223 WeakPolarHBondContact O-CB 3.42Å; E220-R223 PolarHBondContact O-N 2.75Å; R221-R223 PolarHBondContact O-N 3.37Å; R223-Y225 VanDerWaalsContact C-N 3.28Å; R223-Y225 PolarHBondContact O-N 2.93Å; R223-R226 PolarHBondContact O-N 3.34Å; R223-E227 WeakPolarHBondContact O-CB 3.41Å; R223-E227 PolarHBondContact O-N 2.87Å
224R95.8Very high95.5Very high134 Ų134110.7 Ų110.751%0.50648%0.482SS..Hα-helixtrans-65.2-24.9174.5-66.3173.4-172.9-1729.7113.2E220 R221 E222 R228E220-R224 VanDerWaalsContact O-CG 3.29Å; E220-R224 WeakPolarHBondContact O-CG 3.38Å; E220-R224 PolarHBondContact O-N 3.49Å; E220-R224 IonicContact OE1-CZ 3.21Å; E220-R224 IonicContact OE1-NE 2.75Å; E220-R224 PolarHBondContact OE1-NE 3.27Å; E220-R224 IonicContact OE1-NH2 3.11Å; E220-R224 PolarHBondContact OE1-NH2 3.31Å; E220-R224 IonicContact OE2-CZ 2.69Å; E220-R224 IonicContact OE2-NE 2.75Å; E220-R224 IonicContact OE2-NH2 3.4Å; E220-R224 PolarHBondContact OE2-NH2 2.88Å; R221-R224 CarbonylContact O-C 3.59Å; R221-R224 PolarHBondContact O-N 3.44Å; E222-R224 PolarHBondContact O-N 2.82Å; R224-R228 WeakPolarHBondContact O-CG 3.4Å; R224-R228 PolarHBondContact O-NE 2.96Å
225Y94.9Very high95.6Very high152 Ų152111.4 Ų111.460%0.59649%0.485SS*.Hα-helixtrans-77.1-49.6170.7-85-71.9000111.9R221 E222 R223 E227 R228 E229R221-Y225 WeakPolarHBondContact O-CD2 3.33Å; R221-Y225 PolarHBondContact O-N 3.49Å; E222-Y225 PolarHBondContact O-N 3.45Å; E222-Y225 VanDerWaalsContact O-N 3.11Å; R223-Y225 VanDerWaalsContact C-N 3.28Å; R223-Y225 PolarHBondContact O-N 2.93Å; Y225-E227 VanDerWaalsContact C-N 3.3Å; Y225-E227 PolarHBondContact O-N 3.34Å; Y225-R228 PolarHBondContact O-N 3.27Å; Y225-R228 VanDerWaalsContact O-N 3.16Å; Y225-E229 WeakPolarHBondContact O-CB 3.37Å; Y225-E229 PolarHBondContact O-N 2.83Å
226R96.6Very high95.6Very high138 Ų138112.3 Ų112.352%0.52149%0.488SS..Hα-helixtrans-61-36.7179.1-66.1171.2-161.9-176.87.9112.1E222 R223 E229 Q230E222-R226 WeakPolarHBondContact O-CB 3.25Å; E222-R226 VanDerWaalsContact O-CG 3.27Å; E222-R226 WeakPolarHBondContact O-CG 3.44Å; E222-R226 PolarHBondContact O-N 3.37Å; E222-R226 IonicContact OE2-CZ 2.8Å; E222-R226 IonicContact OE2-NE 3.43Å; E222-R226 IonicContact OE2-NH2 2.61Å; E222-R226 PolarHBondContact OE2-NH2 2.88Å; R223-R226 PolarHBondContact O-N 3.34Å; R226-E229 PolarHBondContact O-N 3.27Å; R226-Q230 VanDerWaalsContact O-CG 3.29Å; R226-Q230 WeakPolarHBondContact O-CG 3.41Å; R226-Q230 PolarHBondContact O-N 2.83Å
227E96.3Very high95.6Very high90 Ų90115.5 Ų115.542%0.42150%0.496SS..Hα-helixtrans-66.2-44.5174.1-170.8-179.3160.200112R223 Y225 E229 Q230 Q231R223-E227 WeakPolarHBondContact O-CB 3.41Å; R223-E227 PolarHBondContact O-N 2.87Å; Y225-E227 VanDerWaalsContact C-N 3.3Å; Y225-E227 PolarHBondContact O-N 3.34Å; E227-E229 VanDerWaalsContact C-N 3.33Å; E227-E229 PolarHBondContact O-N 2.91Å; E227-Q230 PolarHBondContact O-N 2.82Å; E227-Q231 WeakPolarHBondContact O-CG 3.38Å; E227-Q231 PolarHBondContact O-N 3.19Å; E227-Q231 PolarHBondContact OE1-NE2 2.67Å
228R95.3Very high95.8Very high120 Ų120116.1 Ų116.145%0.45350%0.497SS..Hα-helixtrans-64-38.1174.5-74.9-177.5-68.4168.10.7112R224 Y225 Q231 I232R224-R228 WeakPolarHBondContact O-CG 3.4Å; R224-R228 PolarHBondContact O-NE 2.96Å; Y225-R228 PolarHBondContact O-N 3.27Å; Y225-R228 VanDerWaalsContact O-N 3.16Å; R228-Q231 PolarHBondContact O-N 3.43Å; R228-I232 WeakPolarHBondContact O-CB 3.47Å; R228-I232 WeakPolarHBondContact O-CD1 3.49Å; R228-I232 VanDerWaalsContact O-CG1 3.23Å; R228-I232 WeakPolarHBondContact O-CG1 3.39Å; R228-I232 PolarHBondContact O-N 3.39Å
229E94.1Very high95.7Very high136 Ų136118 Ų11864%0.63651%0.506SS*.Hα-helixtrans-62.6-42.8173.9-174.3173.1-140.300111.6Y225 R226 E227 I232 E233Y225-E229 WeakPolarHBondContact O-CB 3.37Å; Y225-E229 PolarHBondContact O-N 2.83Å; R226-E229 PolarHBondContact O-N 3.27Å; E227-E229 VanDerWaalsContact C-N 3.33Å; E227-E229 PolarHBondContact O-N 2.91Å; E229-I232 PolarHBondContact O-N 2.84Å; E229-E233 WeakPolarHBondContact O-CB 3.42Å; E229-E233 PolarHBondContact O-N 3.35Å
230Q96.9Very high95.6Very high131 Ų131117.8 Ų117.861%0.61251%0.505SS*.Hα-helixtrans-62.2-41.9173.1-73.3171.41800112.4R226 E227 E233 E234R226-Q230 VanDerWaalsContact O-CG 3.29Å; R226-Q230 WeakPolarHBondContact O-CG 3.41Å; R226-Q230 PolarHBondContact O-N 2.83Å; E227-Q230 PolarHBondContact O-N 2.82Å; Q230-E233 PolarHBondContact O-N 2.81Å; Q230-E234 WeakPolarHBondContact O-CB 3.29Å; Q230-E234 PolarHBondContact O-N 2.96Å
231Q96.1Very high95.6Very high110 Ų110118.3 Ų118.351%0.51451%0.513SS..Hα-helixtrans-64.2-40.2175.6-68.9174.516.500112.1E227 R228 H235E227-Q231 WeakPolarHBondContact O-CG 3.38Å; E227-Q231 PolarHBondContact O-N 3.19Å; E227-Q231 PolarHBondContact OE1-NE2 2.67Å; R228-Q231 PolarHBondContact O-N 3.43Å; Q231-H235 WeakPolarHBondContact O-CB 3.48Å; Q231-H235 PolarHBondContact O-N 3.44Å
232I94.5Very high95.5Very high118 Ų118119 Ų11961%0.60552%0.524SS*.Hα-helixtrans-64.9-44.1174.6-70.5163.1000110.6R228 E229 H235 R236R228-I232 WeakPolarHBondContact O-CB 3.47Å; R228-I232 WeakPolarHBondContact O-CD1 3.49Å; R228-I232 VanDerWaalsContact O-CG1 3.23Å; R228-I232 WeakPolarHBondContact O-CG1 3.39Å; R228-I232 PolarHBondContact O-N 3.39Å; E229-I232 PolarHBondContact O-N 2.84Å; I232-H235 PolarHBondContact O-N 3.32Å; I232-R236 WeakPolarHBondContact O-CB 3.27Å; I232-R236 PolarHBondContact O-N 3.47Å
233E94.6Very high95.4Very high80 Ų80121.9 Ų121.937%0.37454%0.537SS..Hα-helixtrans-67.3-39.9178.7-178.155.7-159.800112E229 Q230 R236 R237E229-E233 WeakPolarHBondContact O-CB 3.42Å; E229-E233 PolarHBondContact O-N 3.35Å; Q230-E233 PolarHBondContact O-N 2.81Å; E233-R236 PolarHBondContact O-N 2.84Å; E233-R236 IonicContact OE1-CZ 2.67Å; E233-R236 IonicContact OE1-NE 3.7Å; E233-R236 IonicContact OE1-NH2 2.94Å; E233-R236 PolarHBondContact OE1-NH2 2.91Å; E233-R236 IonicContact OE2-CZ 3.2Å; E233-R236 IonicContact OE2-NE 3.16Å; E233-R236 PolarHBondContact OE2-NE 3.31Å; E233-R236 IonicContact OE2-NH2 2.74Å; E233-R236 PolarHBondContact OE2-NH2 2.91Å; E233-R237 VanDerWaalsContact O-CB 3.24Å; E233-R237 WeakPolarHBondContact O-CB 3.27Å; E233-R237 PolarHBondContact O-N 2.94Å
234E96.2Very high95.2Very high112 Ų112116.5 Ų116.552%0.52353%0.527SS..Hα-helixtrans-60.7-44170.6-86-157.2-166.900111.9Q230 R237 K238Q230-E234 WeakPolarHBondContact O-CB 3.29Å; Q230-E234 PolarHBondContact O-N 2.96Å; E234-R237 PolarHBondContact O-N 2.95Å; E234-K238 WeakPolarHBondContact O-CB 3.32Å; E234-K238 WeakPolarHBondContact O-CD 3.35Å; E234-K238 WeakPolarHBondContact O-CG 3.39Å; E234-K238 PolarHBondContact O-N 2.86Å; E234-K238 WeakPolarHBondContact OE2-CE 3.45Å; E234-K238 IonicContact OE2-NZ 2.74Å; E234-K238 PolarHBondContact OE2-NZ 2.93Å
235H95.2Very high95Very high123 Ų123116.5 Ų116.557%0.56953%0.533SS*.Hα-helixtrans-63.9-44.2177.3-176-92.7000111.5Q231 I232 K238 Q239Q231-H235 WeakPolarHBondContact O-CB 3.48Å; Q231-H235 PolarHBondContact O-N 3.44Å; I232-H235 PolarHBondContact O-N 3.32Å; H235-K238 PolarHBondContact O-N 3.16Å; H235-Q239 WeakPolarHBondContact O-CB 3.27Å; H235-Q239 PolarHBondContact O-N 3.27Å
236R96.6Very high94.8Very high122 Ų122113.9 Ų113.946%0.4653%0.526SS..Hα-helixtrans-59.3-46.4174.5-171.7177.275.7127.94.9111.5I232 E233 Q239 Q240I232-R236 WeakPolarHBondContact O-CB 3.27Å; I232-R236 PolarHBondContact O-N 3.47Å; E233-R236 PolarHBondContact O-N 2.84Å; E233-R236 IonicContact OE1-CZ 2.67Å; E233-R236 IonicContact OE1-NE 3.7Å; E233-R236 IonicContact OE1-NH2 2.94Å; E233-R236 PolarHBondContact OE1-NH2 2.91Å; E233-R236 IonicContact OE2-CZ 3.2Å; E233-R236 IonicContact OE2-NE 3.16Å; E233-R236 PolarHBondContact OE2-NE 3.31Å; E233-R236 IonicContact OE2-NH2 2.74Å; E233-R236 PolarHBondContact OE2-NH2 2.91Å; R236-Q239 PolarHBondContact O-N 3.35Å; R236-Q240 WeakPolarHBondContact O-CG 3.14Å; R236-Q240 PolarHBondContact O-N 2.81Å
237R96.4Very high94.5Very high175 Ų175109.9 Ų109.966%0.6652%0.523SS*.Hα-helixtrans-64.5-42.5177.7-175.3178177.8-171.1-0.3112E233 E234 Q240 T241E233-R237 VanDerWaalsContact O-CB 3.24Å; E233-R237 WeakPolarHBondContact O-CB 3.27Å; E233-R237 PolarHBondContact O-N 2.94Å; E234-R237 PolarHBondContact O-N 2.95Å; R237-Q240 PolarHBondContact O-N 2.84Å; R237-T241 PolarHBondContact O-N 2.68Å; R237-T241 PolarHBondContact O-OG1 3.45Å
238K96.3Very high94.2Very high110 Ų110112.9 Ų112.948%0.47853%0.534SS..Hα-helixtrans-61.5-45175.2-72.8161.4-166.9168.90110.8E234 H235 T241 L242E234-K238 WeakPolarHBondContact O-CB 3.32Å; E234-K238 WeakPolarHBondContact O-CD 3.35Å; E234-K238 WeakPolarHBondContact O-CG 3.39Å; E234-K238 PolarHBondContact O-N 2.86Å; E234-K238 WeakPolarHBondContact OE2-CE 3.45Å; E234-K238 IonicContact OE2-NZ 2.74Å; E234-K238 PolarHBondContact OE2-NZ 2.93Å; H235-K238 PolarHBondContact O-N 3.16Å; K238-T241 WeakPolarHBondContact CA-OG1 3.37Å; K238-T241 PolarHBondContact O-N 2.81Å; K238-T241 PolarHBondContact O-OG1 3.37Å; K238-L242 WeakPolarHBondContact O-CG 3.34Å; K238-L242 PolarHBondContact O-N 2.67Å
239Q93.8Very high93.8Very high118 Ų118114.7 Ų114.755%0.55154%0.541SS*.Hα-helixtrans-60.1-47.7174.5-176.2171.391.500111.9H235 R236 T241 L242 E243H235-Q239 WeakPolarHBondContact O-CB 3.27Å; H235-Q239 PolarHBondContact O-N 3.27Å; R236-Q239 PolarHBondContact O-N 3.35Å; Q239-T241 VanDerWaalsContact C-N 3.33Å; Q239-T241 PolarHBondContact O-N 2.68Å; Q239-L242 PolarHBondContact O-N 3.47Å; Q239-E243 WeakPolarHBondContact O-CB 3.38Å; Q239-E243 PolarHBondContact O-N 2.75Å
240Q94.3Very high93.5Very high98 Ų98115.1 Ų115.146%0.45854%0.537SS..Hα-helixtrans-61.3-36.7175.6-74.4176.9-5.700113R236 R237 A244R236-Q240 WeakPolarHBondContact O-CG 3.14Å; R236-Q240 PolarHBondContact O-N 2.81Å; R237-Q240 PolarHBondContact O-N 2.84Å; Q240-A244 WeakPolarHBondContact O-CB 3.49Å; Q240-A244 PolarHBondContact O-N 2.87Å
241T94.9Very high92.9Very high86 Ų86114.4 Ų114.453%0.52854%0.536SS..Hα-helixtrans-68.7-36.7174.947.40000112.8R237 K238 Q239 E245R237-T241 PolarHBondContact O-N 2.68Å; R237-T241 PolarHBondContact O-OG1 3.45Å; K238-T241 WeakPolarHBondContact CA-OG1 3.37Å; K238-T241 PolarHBondContact O-N 2.81Å; K238-T241 PolarHBondContact O-OG1 3.37Å; Q239-T241 VanDerWaalsContact C-N 3.33Å; Q239-T241 PolarHBondContact O-N 2.68Å; T241-E245 WeakPolarHBondContact O-CB 3.49Å; T241-E245 PolarHBondContact O-N 3.24Å
242L94.1Very high92.2Very high115 Ų115116.2 Ų116.260%0.60254%0.543SS*.Hα-helixtrans-68.9-43.7175.3-70168.5000111.4K238 Q239 A244 E245 E246K238-L242 WeakPolarHBondContact O-CG 3.34Å; K238-L242 PolarHBondContact O-N 2.67Å; Q239-L242 PolarHBondContact O-N 3.47Å; L242-A244 PolarHBondContact O-N 3.47Å; L242-E245 PolarHBondContact O-N 2.77Å; L242-E246 PolarHBondContact O-N 2.62Å
243E93.3Very high91.4Very high132 Ų132114.7 Ų114.762%0.61753%0.533SS*.Hα-helixtrans-62.6-41.7174.7-175.3179.6-165.400111.5Q239 E245 E246 A247Q239-E243 WeakPolarHBondContact O-CB 3.38Å; Q239-E243 PolarHBondContact O-N 2.75Å; E243-E245 VanDerWaalsContact C-N 3.34Å; E243-E245 PolarHBondContact O-N 3.48Å; E243-E246 PolarHBondContact O-N 2.8Å; E243-A247 VanDerWaalsContact O-CB 3.27Å; E243-A247 WeakPolarHBondContact O-CB 3.43Å; E243-A247 PolarHBondContact O-N 3.34Å
244A92.7Very high90.3Very high46 Ų46117.3 Ų117.338%0.3855%0.545SS..Hα-helixtrans-68.7-29.5175.700000113.2Q240 L242 K248Q240-A244 WeakPolarHBondContact O-CB 3.49Å; Q240-A244 PolarHBondContact O-N 2.87Å; L242-A244 PolarHBondContact O-N 3.47Å; A244-K248 WeakPolarHBondContact O-CB 3.38Å; A244-K248 WeakPolarHBondContact O-CD 3.24Å; A244-K248 VanDerWaalsContact O-CG 3.23Å; A244-K248 WeakPolarHBondContact O-CG 3.2Å; A244-K248 PolarHBondContact O-N 2.83Å; A244-K248 VanDerWaalsContact O-N 3.15Å
245E91.8Very high88.8Confident135 Ų135115.7 Ų115.763%0.63155%0.546SS*.Hα-helixtrans-72.7-43.9170.7-171.4176.3170.700111.2T241 L242 E243 A247 K248 R249T241-E245 WeakPolarHBondContact O-CB 3.49Å; T241-E245 PolarHBondContact O-N 3.24Å; L242-E245 PolarHBondContact O-N 2.77Å; E243-E245 VanDerWaalsContact C-N 3.34Å; E243-E245 PolarHBondContact O-N 3.48Å; E245-A247 PolarHBondContact O-N 3.5Å; E245-K248 PolarHBondContact O-N 3.18Å; E245-R249 WeakPolarHBondContact O-CB 3.48Å; E245-R249 PolarHBondContact O-N 3.39Å
246E91.1Very high87.2Confident96 Ų96115.4 Ų115.445%0.44955%0.548SS..Hα-helixtrans-63-41.6175.6-157.8-161.2145.300111.2L242 E243 K248 R249 R250L242-E246 PolarHBondContact O-N 2.62Å; E243-E246 PolarHBondContact O-N 2.8Å; E246-K248 PolarHBondContact O-N 3.02Å; E246-R249 CarbonylContact O-C 3.58Å; E246-R249 WeakPolarHBondContact O-CB 3.43Å; E246-R249 PolarHBondContact O-N 3.28Å; E246-R249 VanDerWaalsContact O-N 3.16Å; E246-R250 WeakPolarHBondContact O-CB 3.47Å; E246-R250 WeakPolarHBondContact O-CG 3.38Å; E246-R250 PolarHBondContact O-N 3.36Å; E246-R250 IonicContact OE1-CZ 2.67Å; E246-R250 IonicContact OE1-NE 3.63Å; E246-R250 PolarHBondContact OE1-NE 2.87Å; E246-R250 IonicContact OE1-NH2 3.81Å; E246-R250 PolarHBondContact OE1-NH2 3.16Å
247A90.2Very high85.2Confident55 Ų55118.3 Ų118.346%0.45556%0.564SS.*Hα-helixtrans-61.7-42.4174.800000111.9E243 E245 R249 R250 L251E243-A247 VanDerWaalsContact O-CB 3.27Å; E243-A247 WeakPolarHBondContact O-CB 3.43Å; E243-A247 PolarHBondContact O-N 3.34Å; E245-A247 PolarHBondContact O-N 3.5Å; A247-R249 VanDerWaalsContact C-N 3.35Å; A247-R250 PolarHBondContact O-N 3.36Å; A247-L251 WeakPolarHBondContact O-CB 3.43Å; A247-L251 PolarHBondContact O-N 3.42Å
248K90.3Very high83.2Confident152 Ų152110.6 Ų110.666%0.66154%0.539SS*.Hα-helixtrans-64.2-38.2172.5-76.2169-175.7173.50112.1A244 E245 E246 K252A244-K248 WeakPolarHBondContact O-CB 3.38Å; A244-K248 WeakPolarHBondContact O-CD 3.24Å; A244-K248 VanDerWaalsContact O-CG 3.23Å; A244-K248 WeakPolarHBondContact O-CG 3.2Å; A244-K248 PolarHBondContact O-N 2.83Å; A244-K248 VanDerWaalsContact O-N 3.15Å; E245-K248 PolarHBondContact O-N 3.18Å; E246-K248 PolarHBondContact O-N 3.02Å; K248-K252 WeakPolarHBondContact O-CB 3.48Å; K248-K252 PolarHBondContact O-N 2.84Å
249R87.4Confident81.1Confident159 Ų159111.9 Ų111.960%0.655%0.551SS**Hα-helixtrans-66-47.9175.8-178.8179.9166.2-164.7-12.9111.1E245 E246 A247 L251 K252 E253E245-R249 WeakPolarHBondContact O-CB 3.48Å; E245-R249 PolarHBondContact O-N 3.39Å; E246-R249 CarbonylContact O-C 3.58Å; E246-R249 WeakPolarHBondContact O-CB 3.43Å; E246-R249 PolarHBondContact O-N 3.28Å; E246-R249 VanDerWaalsContact O-N 3.16Å; A247-R249 VanDerWaalsContact C-N 3.35Å; R249-L251 VanDerWaalsContact C-N 3.34Å; R249-L251 PolarHBondContact O-N 3.27Å; R249-K252 CarbonylContact O-C 3.53Å; R249-K252 WeakPolarHBondContact O-CB 3.32Å; R249-K252 PolarHBondContact O-N 2.92Å; R249-K252 VanDerWaalsContact O-N 3.14Å; R249-E253 HydrophobicContact CG-CG 4.45Å; R249-E253 IonicContact CZ-OE1 2.68Å; R249-E253 IonicContact NE-OE1 3.96Å; R249-E253 PolarHBondContact NE-OE1 2.71Å; R249-E253 IonicContact NH2-OE1 3.6Å; R249-E253 PolarHBondContact NH2-OE1 2.9Å; R249-E253 WeakPolarHBondContact O-CB 3.33Å; R249-E253 WeakPolarHBondContact O-CG 3.45Å; R249-E253 PolarHBondContact O-N 3.35Å
250R86.6Confident79Confident145 Ų145114.8 Ų114.855%0.54757%0.565SS.*Hα-helixtrans-58.5-43.3174.6-73.2178.4-178.4-147.97111.5E246 A247 K252 E253 Q254E246-R250 WeakPolarHBondContact O-CB 3.47Å; E246-R250 WeakPolarHBondContact O-CG 3.38Å; E246-R250 PolarHBondContact O-N 3.36Å; E246-R250 IonicContact OE1-CZ 2.67Å; E246-R250 IonicContact OE1-NE 3.63Å; E246-R250 PolarHBondContact OE1-NE 2.87Å; E246-R250 IonicContact OE1-NH2 3.81Å; E246-R250 PolarHBondContact OE1-NH2 3.16Å; A247-R250 PolarHBondContact O-N 3.36Å; R250-K252 VanDerWaalsContact C-N 3.34Å; R250-K252 PolarHBondContact O-N 2.78Å; R250-E253 PolarHBondContact O-N 2.83Å; R250-Q254 WeakPolarHBondContact O-CB 3.43Å; R250-Q254 VanDerWaalsContact O-CG 3.32Å; R250-Q254 WeakPolarHBondContact O-CG 3.47Å; R250-Q254 PolarHBondContact O-N 2.78Å
251L83.9Confident77.1Confident115 Ų115116.7 Ų116.760%0.60257%0.568SS**Hα-helixtrans-63.2-39.5175.2-177.863000111.9A247 R249 Q254 S255A247-L251 WeakPolarHBondContact O-CB 3.43Å; A247-L251 PolarHBondContact O-N 3.42Å; R249-L251 VanDerWaalsContact C-N 3.34Å; R249-L251 PolarHBondContact O-N 3.27Å; L251-Q254 PolarHBondContact O-N 3.18Å; L251-S255 VanDerWaalsContact O-CB 3.3Å; L251-S255 WeakPolarHBondContact O-CB 3.27Å; L251-S255 PolarHBondContact O-N 2.92Å
252K82.8Confident75.2Confident148 Ų148117.2 Ų117.264%0.64357%0.567SS**Hα-helixtrans-68.5-39.9175.2-174177.4179.7-178.60112.5K248 R249 R250 S255 I256K248-K252 WeakPolarHBondContact O-CB 3.48Å; K248-K252 PolarHBondContact O-N 2.84Å; R249-K252 CarbonylContact O-C 3.53Å; R249-K252 WeakPolarHBondContact O-CB 3.32Å; R249-K252 PolarHBondContact O-N 2.92Å; R249-K252 VanDerWaalsContact O-N 3.14Å; R250-K252 VanDerWaalsContact C-N 3.34Å; R250-K252 PolarHBondContact O-N 2.78Å; K252-S255 PolarHBondContact O-N 3.5Å; K252-I256 HydrophobicContact CG-CD1 4.42Å; K252-I256 WeakPolarHBondContact O-CD1 3.48Å; K252-I256 VanDerWaalsContact O-CG1 3.32Å; K252-I256 WeakPolarHBondContact O-CG1 3.46Å; K252-I256 PolarHBondContact O-N 2.82Å; K252-I256 VanDerWaalsContact O-N 3.08Å
253E77.8Confident73.4Confident87 Ų87119.4 Ų119.441%0.40757%0.574SS.*Hα-helixtrans-67.9-37.5175.1-73.3173.9172.900111.3R249 R250 I256R249-E253 HydrophobicContact CG-CG 4.45Å; R249-E253 IonicContact CZ-OE1 2.68Å; R249-E253 IonicContact NE-OE1 3.96Å; R249-E253 PolarHBondContact NE-OE1 2.71Å; R249-E253 IonicContact NH2-OE1 3.6Å; R249-E253 PolarHBondContact NH2-OE1 2.9Å; R249-E253 WeakPolarHBondContact O-CB 3.33Å; R249-E253 WeakPolarHBondContact O-CG 3.45Å; R249-E253 PolarHBondContact O-N 3.35Å; R250-E253 PolarHBondContact O-N 2.83Å; E253-I256 PolarHBondContact O-N 2.83Å
254Q70Confident71.6Confident134 Ų134120.2 Ų120.263%0.62658%0.578SS**Hα-helixtrans-66.1-43.7170.7-75.4176.7-0.800112R250 L251 I256 F257 G258R250-Q254 WeakPolarHBondContact O-CB 3.43Å; R250-Q254 VanDerWaalsContact O-CG 3.32Å; R250-Q254 WeakPolarHBondContact O-CG 3.47Å; R250-Q254 PolarHBondContact O-N 2.78Å; L251-Q254 PolarHBondContact O-N 3.18Å; Q254-I256 PolarHBondContact O-N 2.74Å; Q254-F257 CarbonylContact O-C 3.07Å; Q254-F257 WeakPolarHBondContact O-CA 3.23Å; Q254-F257 PolarHBondContact O-N 3.27Å; Q254-G258 PolarHBondContact O-N 2.8Å
255S65.2Low70Confident78 Ų78121.4 Ų121.455%0.54558%0.576SS.*Hα-helixtrans-59.5-32.3175.8171.70000112.8L251 K252 F257 G258L251-S255 VanDerWaalsContact O-CB 3.3Å; L251-S255 WeakPolarHBondContact O-CB 3.27Å; L251-S255 PolarHBondContact O-N 2.92Å; K252-S255 PolarHBondContact O-N 3.5Å; S255-F257 PolarHBondContact O-N 3.43Å; S255-G258 PolarHBondContact O-N 3.35Å
256I61.5Low68.4Low118 Ų118120.4 Ų120.461%0.60557%0.571SS**Hα-helixtrans-68.6-19.1173.8-73.4165000112.8K252 E253 Q254K252-I256 HydrophobicContact CG-CD1 4.42Å; K252-I256 WeakPolarHBondContact O-CD1 3.48Å; K252-I256 VanDerWaalsContact O-CG1 3.32Å; K252-I256 WeakPolarHBondContact O-CG1 3.46Å; K252-I256 PolarHBondContact O-N 2.82Å; K252-I256 VanDerWaalsContact O-N 3.08Å; E253-I256 PolarHBondContact O-N 2.83Å; Q254-I256 PolarHBondContact O-N 2.74Å
257F55.5Low66.8Low182 Ų182120.4 Ų120.480%0.79858%0.578SS**Hα-helixtrans-107.8-14.1174.2-80.8-90.8000114.1Q254 S255Q254-F257 CarbonylContact O-C 3.07Å; Q254-F257 WeakPolarHBondContact O-CA 3.23Å; Q254-F257 PolarHBondContact O-N 3.27Å; S255-F257 PolarHBondContact O-N 3.43Å
258G53.9Low65.2Low14 Ų14122.2 Ų122.214%0.14458%0.577CS.*Hα-helixtrans-79.1-22.8-17600000115.1Q254 S255 H260 R261 D262Q254-G258 PolarHBondContact O-N 2.8Å; S255-G258 PolarHBondContact O-N 3.35Å; G258-H260 PolarHBondContact O-N 2.81Å; G258-R261 PolarHBondContact O-N 3.45Å; G258-D262 PolarHBondContact O-N 2.76Å; G258-D262 VanDerWaalsContact O-N 3.11Å
259D51.9Low63.6Low136 Ų136120 Ų12073%0.72757%0.57SS**THydrogen-bonded Turntrans-60.5-2-176.1-136.735.6000115
260H50.6Low62.4Low180 Ų180117.6 Ų117.683%0.83356%0.564SS**THydrogen-bonded Turntrans-119.45.6173.4-82-26.3000114.5G258G258-H260 PolarHBondContact O-N 2.81Å
261R53Low61.3Low137 Ų137118.2 Ų118.252%0.51757%0.57SS.*THydrogen-bonded Turntrans-125.5-29.5-178.3-166.9169.2-177.4-75-17.3112.8G258 E263 E264 E265G258-R261 PolarHBondContact O-N 3.45Å; R261-E263 VanDerWaalsContact C-N 3.31Å; R261-E263 PolarHBondContact O-N 2.9Å; R261-E264 PolarHBondContact O-N 3.49Å; R261-E265 IonicContact CZ-OE1 2.79Å; R261-E265 IonicContact CZ-OE2 3.82Å; R261-E265 IonicContact NH1-OE1 2.67Å; R261-E265 PolarHBondContact NH1-OE1 3.47Å; R261-E265 IonicContact NH1-OE2 2.68Å; R261-E265 PolarHBondContact NH1-OE2 2.91Å; R261-E265 IonicContact NH2-OE1 3.79Å; R261-E265 PolarHBondContact NH2-OE1 2.95Å; R261-E265 IonicContact NH2-OE2 3.97Å; R261-E265 PolarHBondContact O-N 3.47Å; R261-E265 VanDerWaalsContact O-N 3.14Å
262D54.8Low60.3Low97 Ų97114.9 Ų114.952%0.51956%0.557SS.*Hα-helixtrans-66.2-31.9-178.8-62.8-21.7000112.2G258 E264 E265 E266G258-D262 PolarHBondContact O-N 2.76Å; G258-D262 VanDerWaalsContact O-N 3.11Å; D262-E264 VanDerWaalsContact C-N 3.32Å; D262-E264 PolarHBondContact O-N 3.14Å; D262-E265 PolarHBondContact O-N 3.25Å; D262-E266 WeakPolarHBondContact O-CB 3.4Å; D262-E266 PolarHBondContact O-N 2.67Å
263E57Low59.6Low162 Ų162114.1 Ų114.176%0.75756%0.555SS**Hα-helixtrans-62.4-34.7173.4-68.1-162.6147.500113.1R261 T267R261-E263 VanDerWaalsContact C-N 3.31Å; R261-E263 PolarHBondContact O-N 2.9Å; E263-T267 WeakPolarHBondContact O-CG2 3.49Å
264E56.1Low59Low148 Ų148113.4 Ų113.469%0.69256%0.56SS**Hα-helixtrans-75.7-45.1175.4-66-164.7150.200110.7R261 D262 E266 T267 H268R261-E264 PolarHBondContact O-N 3.49Å; D262-E264 VanDerWaalsContact C-N 3.32Å; D262-E264 PolarHBondContact O-N 3.14Å; E264-E266 PolarHBondContact O-N 2.94Å; E264-T267 PolarHBondContact O-N 3.16Å; E264-T267 PolarHBondContact O-OG1 2.82Å; E264-H268 PolarHBondContact O-N 3.48Å
265E58.4Low59.1Low72 Ų72113.6 Ų113.634%0.33656%0.561SS.*Hα-helixtrans-71.6-29.6-176.8-72.5-164.2152.400113.7R261 D262 T267 H268 M269R261-E265 IonicContact CZ-OE1 2.79Å; R261-E265 IonicContact CZ-OE2 3.82Å; R261-E265 IonicContact NH1-OE1 2.67Å; R261-E265 PolarHBondContact NH1-OE1 3.47Å; R261-E265 IonicContact NH1-OE2 2.68Å; R261-E265 PolarHBondContact NH1-OE2 2.91Å; R261-E265 IonicContact NH2-OE1 3.79Å; R261-E265 PolarHBondContact NH2-OE1 2.95Å; R261-E265 IonicContact NH2-OE2 3.97Å; R261-E265 PolarHBondContact O-N 3.47Å; R261-E265 VanDerWaalsContact O-N 3.14Å; D262-E265 PolarHBondContact O-N 3.25Å; E265-T267 PolarHBondContact O-N 3.15Å; E265-H268 WeakPolarHBondContact CA-ND1 3.32Å; E265-H268 PolarHBondContact O-N 3.04Å; E265-H268 PolarHBondContact O-ND1 3.18Å; E265-M269 PolarHBondContact O-N 3.06Å; E265-M269 VanDerWaalsContact O-N 3.13Å
266E59.2Low59.5Low113 Ų113114.9 Ų114.953%0.52857%0.565SS.*Hα-helixtrans-63.9-29174.2-146.2-153.5-179.600112D262 E264 K270D262-E266 WeakPolarHBondContact O-CB 3.4Å; D262-E266 PolarHBondContact O-N 2.67Å; E264-E266 PolarHBondContact O-N 2.94Å; E266-K270 VanDerWaalsContact CD-CE 3.45Å; E266-K270 WeakPolarHBondContact O-CD 3.4Å; E266-K270 VanDerWaalsContact O-CG 3.31Å; E266-K270 WeakPolarHBondContact O-CG 3.37Å; E266-K270 PolarHBondContact O-N 2.79Å; E266-K270 WeakPolarHBondContact OE1-CE 3.41Å; E266-K270 IonicContact OE1-NZ 2.68Å; E266-K270 PolarHBondContact OE1-NZ 3.26Å; E266-K270 IonicContact OE2-NZ 2.7Å; E266-K270 PolarHBondContact OE2-NZ 3.47Å
267T56.9Low60.1Low96 Ų96116.3 Ų116.359%0.58957%0.57SS**Hα-helixtrans-75.2-30.317671.20000113.4E263 E264 E265 K271E263-T267 WeakPolarHBondContact O-CG2 3.49Å; E264-T267 PolarHBondContact O-N 3.16Å; E264-T267 PolarHBondContact O-OG1 2.82Å; E265-T267 PolarHBondContact O-N 3.15Å; T267-K271 PolarHBondContact O-N 2.99Å
268H57Low60.9Low93 Ų93113.6 Ų113.643%0.43156%0.559SS.*Hα-helixtrans-75.8-41.2176.9100.6-81.3000111.5E264 E265 K271 S272E264-H268 PolarHBondContact O-N 3.48Å; E265-H268 WeakPolarHBondContact CA-ND1 3.32Å; E265-H268 PolarHBondContact O-N 3.04Å; E265-H268 PolarHBondContact O-ND1 3.18Å; H268-K271 WeakPolarHBondContact O-CB 3.44Å; H268-K271 PolarHBondContact O-N 3.27Å; H268-K271 VanDerWaalsContact O-N 3.11Å; H268-S272 PolarHBondContact O-N 3.23Å; H268-S272 PolarHBondContact O-OG 3.3Å
269M56.2Low61.7Low105 Ų105115.2 Ų115.252%0.51757%0.571SS.*Hα-helixtrans-60.2-50.4178.4-82.6-69.3173.700111.8E265 K271 S272 E273E265-M269 PolarHBondContact O-N 3.06Å; E265-M269 VanDerWaalsContact O-N 3.13Å; M269-K271 PolarHBondContact O-N 3.32Å; M269-K271 VanDerWaalsContact O-N 3.14Å; M269-S272 WeakPolarHBondContact CA-OG 3.49Å; M269-S272 PolarHBondContact O-N 3.28Å; M269-S272 PolarHBondContact O-OG 3.1Å; M269-E273 PolarHBondContact O-N 2.95Å
270K62.5Low62.7Low110 Ų110111.3 Ų111.348%0.47856%0.558SS.*Hα-helixtrans-57.7-29.2176-71.1169.6-176.8171.20112.8E266 S274E266-K270 VanDerWaalsContact CD-CE 3.45Å; E266-K270 WeakPolarHBondContact O-CD 3.4Å; E266-K270 VanDerWaalsContact O-CG 3.31Å; E266-K270 WeakPolarHBondContact O-CG 3.37Å; E266-K270 PolarHBondContact O-N 2.79Å; E266-K270 WeakPolarHBondContact OE1-CE 3.41Å; E266-K270 IonicContact OE1-NZ 2.68Å; E266-K270 PolarHBondContact OE1-NZ 3.26Å; E266-K270 IonicContact OE2-NZ 2.7Å; E266-K270 PolarHBondContact OE2-NZ 3.47Å; K270-S274 WeakPolarHBondContact O-CB 3.3Å; K270-S274 PolarHBondContact O-N 3.45Å
271K62.9Low63.8Low157 Ų157104.9 Ų104.968%0.68354%0.536SS*.Hα-helixtrans-77-41175.9-164.6170.7-176.3177.40112.4T267 H268 M269 S274 E275T267-K271 PolarHBondContact O-N 2.99Å; H268-K271 WeakPolarHBondContact O-CB 3.44Å; H268-K271 PolarHBondContact O-N 3.27Å; H268-K271 VanDerWaalsContact O-N 3.11Å; M269-K271 PolarHBondContact O-N 3.32Å; M269-K271 VanDerWaalsContact O-N 3.14Å; K271-S274 PolarHBondContact O-N 3.35Å; K271-E275 WeakPolarHBondContact O-CB 3.49Å; K271-E275 PolarHBondContact O-N 3.14Å
272S63.3Low64.7Low45 Ų45102.6 Ų102.632%0.31553%0.533SS..Hα-helixtrans-68.3-35173.647.50000113.3H268 M269 E275 V276H268-S272 PolarHBondContact O-N 3.23Å; H268-S272 PolarHBondContact O-OG 3.3Å; M269-S272 WeakPolarHBondContact CA-OG 3.49Å; M269-S272 PolarHBondContact O-N 3.28Å; M269-S272 PolarHBondContact O-OG 3.1Å; S272-E275 PolarHBondContact O-N 3.31Å; S272-V276 WeakPolarHBondContact O-CB 3.43Å; S272-V276 VanDerWaalsContact O-CG2 3.31Å; S272-V276 WeakPolarHBondContact O-CG2 3.31Å; S272-V276 PolarHBondContact O-N 3.37Å
273E66.9Low65.2Low132 Ų132102.8 Ų102.862%0.61753%0.533SS*.Hα-helixtrans-63.9-45.7172.7-70.8-176.5135.500110.9M269 E275 V276 E277M269-E273 PolarHBondContact O-N 2.95Å; E273-E275 VanDerWaalsContact C-N 3.3Å; E273-E275 PolarHBondContact O-N 3.36Å; E273-V276 PolarHBondContact O-N 2.83Å; E273-E277 WeakPolarHBondContact O-CB 3.36Å; E273-E277 PolarHBondContact O-N 3.02Å
274S66.8Low65.7Low72 Ų7299 Ų9950%0.50353%0.529SS..Hα-helixtrans-57.8-39.4173.3-177.30000113K270 K271 E278K270-S274 WeakPolarHBondContact O-CB 3.3Å; K270-S274 PolarHBondContact O-N 3.45Å; K271-S274 PolarHBondContact O-N 3.35Å; S274-E278 WeakPolarHBondContact O-CB 3.47Å; S274-E278 PolarHBondContact O-N 3.29Å
275E71.6Confident66.4Low139 Ų13999.4 Ų99.465%0.6553%0.531SS*.Hα-helixtrans-74-34-179-167.6166.4-147.600111.9K271 S272 E273 A279K271-E275 WeakPolarHBondContact O-CB 3.49Å; K271-E275 PolarHBondContact O-N 3.14Å; S272-E275 PolarHBondContact O-N 3.31Å; E273-E275 VanDerWaalsContact C-N 3.3Å; E273-E275 PolarHBondContact O-N 3.36Å; E275-A279 WeakPolarHBondContact O-CB 3.4Å; E275-A279 PolarHBondContact O-N 2.85Å
276V73.8Confident66.9Low104 Ų104103.3 Ų103.363%0.6354%0.543SS*.Hα-helixtrans-70.4-39.8171.9169.60000111.7S272 E273 A279 A280S272-V276 WeakPolarHBondContact O-CB 3.43Å; S272-V276 VanDerWaalsContact O-CG2 3.31Å; S272-V276 WeakPolarHBondContact O-CG2 3.31Å; S272-V276 PolarHBondContact O-N 3.37Å; E273-V276 PolarHBondContact O-N 2.83Å; V276-A279 PolarHBondContact O-N 2.95Å; V276-A280 WeakPolarHBondContact O-CB 3.28Å; V276-A280 PolarHBondContact O-N 3.43Å
277E73.6Confident67.2Low149 Ų149104.2 Ų104.270%0.69656%0.559SS**Hα-helixtrans-71.6-36.9177.8-167.7163.1-143.100112E273 A280 A281E273-E277 WeakPolarHBondContact O-CB 3.36Å; E273-E277 PolarHBondContact O-N 3.02Å; E277-A280 PolarHBondContact O-N 3.35Å; E277-A281 WeakPolarHBondContact O-CB 3.48Å; E277-A281 PolarHBondContact O-N 3.08Å
278E71.8Confident67.8Low125 Ų125106 Ų10658%0.58457%0.565SS**Hα-helixtrans-61-46.1169.1-175.9175.3174.900111.4S274 A280 A281 I282S274-E278 WeakPolarHBondContact O-CB 3.47Å; S274-E278 PolarHBondContact O-N 3.29Å; E278-A280 VanDerWaalsContact C-N 3.31Å; E278-A280 PolarHBondContact O-N 3.42Å; E278-A281 PolarHBondContact O-N 2.81Å; E278-I282 HydrophobicContact CG-CD1 4Å; E278-I282 WeakPolarHBondContact O-CG1 3.47Å; E278-I282 PolarHBondContact O-N 3.37Å
279A71.1Confident68.6Low48 Ų48106 Ų10640%0.39757%0.567SS.*Hα-helixtrans-60.5-39.6175.700000112.3E275 V276 I282 I283E275-A279 WeakPolarHBondContact O-CB 3.4Å; E275-A279 PolarHBondContact O-N 2.85Å; V276-A279 PolarHBondContact O-N 2.95Å; A279-I282 PolarHBondContact O-N 3.11Å; A279-I283 WeakPolarHBondContact O-CD1 3.39Å; A279-I283 VanDerWaalsContact O-CG1 3.28Å; A279-I283 WeakPolarHBondContact O-CG1 3.3Å; A279-I283 PolarHBondContact O-N 3.4Å
280A74.2Confident69.2Low53 Ų53105.6 Ų105.644%0.43857%0.573SS.*Hα-helixtrans-64.1-42.7174.300000112V276 E277 E278 I282 I283 A284V276-A280 WeakPolarHBondContact O-CB 3.28Å; V276-A280 PolarHBondContact O-N 3.43Å; E277-A280 PolarHBondContact O-N 3.35Å; E278-A280 VanDerWaalsContact C-N 3.31Å; E278-A280 PolarHBondContact O-N 3.42Å; A280-I282 VanDerWaalsContact C-N 3.34Å; A280-I282 PolarHBondContact O-N 3.25Å; A280-I283 PolarHBondContact O-N 3.14Å; A280-A284 WeakPolarHBondContact O-CB 3.45Å; A280-A284 PolarHBondContact O-N 3.18Å
281A73.7Confident69.4Low45 Ų45109.9 Ų109.937%0.37259%0.586SS.*Hα-helixtrans-64.8-34.7176.600000113E277 E278 Q285E277-A281 WeakPolarHBondContact O-CB 3.48Å; E277-A281 PolarHBondContact O-N 3.08Å; E278-A281 PolarHBondContact O-N 2.81Å; A281-Q285 WeakPolarHBondContact O-CG 3.32Å; A281-Q285 PolarHBondContact O-N 3.49Å; A281-Q285 PolarHBondContact O-NE2 2.89Å; A281-Q285 VanDerWaalsContact O-NE2 3.12Å
282I70.5Confident69.9Low89 Ų89105.9 Ų105.946%0.45657%0.57SS.*Hα-helixtrans-70.6-35.2173.9-68.6166.8000111.4E278 A279 A280E278-I282 HydrophobicContact CG-CD1 4Å; E278-I282 WeakPolarHBondContact O-CG1 3.47Å; E278-I282 PolarHBondContact O-N 3.37Å; A279-I282 PolarHBondContact O-N 3.11Å; A280-I282 VanDerWaalsContact C-N 3.34Å; A280-I282 PolarHBondContact O-N 3.25Å
283I66.6Low70.1Confident101 Ų101110.2 Ų110.252%0.51858%0.583SS.*Hα-helixtrans-69.8-40.1174.6-69.8165.1000110.8A279 A280 Q285 R286A279-I283 WeakPolarHBondContact O-CD1 3.39Å; A279-I283 VanDerWaalsContact O-CG1 3.28Å; A279-I283 WeakPolarHBondContact O-CG1 3.3Å; A279-I283 PolarHBondContact O-N 3.4Å; A280-I283 PolarHBondContact O-N 3.14Å; I283-Q285 VanDerWaalsContact C-N 3.28Å; I283-Q285 PolarHBondContact O-N 3.41Å; I283-R286 WeakPolarHBondContact O-CB 3.42Å; I283-R286 PolarHBondContact O-N 3.48Å
284A67.7Low70.2Confident83 Ų83110.5 Ų110.569%0.68658%0.583SS**Hα-helixtrans-67-23179.900000114.3A280 R286A280-A284 WeakPolarHBondContact O-CB 3.45Å; A280-A284 PolarHBondContact O-N 3.18Å; A284-R286 VanDerWaalsContact C-N 3.27Å; A284-R286 PolarHBondContact O-N 2.75Å
285Q69.1Low70.6Confident157 Ų157111.2 Ų111.273%0.73458%0.577SS**THydrogen-bonded Turntrans-80.90.8176.6-76173.572.300114.2A281 I283A281-Q285 WeakPolarHBondContact O-CG 3.32Å; A281-Q285 PolarHBondContact O-N 3.49Å; A281-Q285 PolarHBondContact O-NE2 2.89Å; A281-Q285 VanDerWaalsContact O-NE2 3.12Å; I283-Q285 VanDerWaalsContact C-N 3.28Å; I283-Q285 PolarHBondContact O-N 3.41Å
286R68.6Low70.4Confident154 Ų154110.2 Ų110.258%0.58157%0.572SS**  trans-81.6128.9174.9-62.3178.7-177.5175.91.4109.6I283 A284 D288I283-R286 WeakPolarHBondContact O-CB 3.42Å; I283-R286 PolarHBondContact O-N 3.48Å; A284-R286 VanDerWaalsContact C-N 3.27Å; A284-R286 PolarHBondContact O-N 2.75Å; R286-D288 PolarHBondContact O-N 3.13Å
287P67.5Low70.1Confident132 Ų132110.9 Ų110.986%0.85757%0.568SS**SBendtrans-66.8-24.9-174.826.5-34.9000113.6
288D69.1Low69.7Low134 Ų134110.2 Ų110.272%0.71757%0.565SS**  trans-119.9120.9177.8-67.3-73.7000110.8R286 P290R286-D288 PolarHBondContact O-N 3.13Å; D288-P290 WeakPolarHBondContact O-CD 3.41Å
289N73.2Confident69.6Low91 Ų91112.3 Ų112.349%0.48757%0.568SS.*  trans-90.6109.3171-176.3-17.4000109.5R291 E292 F293N289-R291 PolarHBondContact O-N 3.19Å; N289-R291 VanDerWaalsContact OD1-CB 3.27Å; N289-R291 WeakPolarHBondContact OD1-CB 3.31Å; N289-R291 PolarHBondContact OD1-N 3.27Å; N289-E292 HydrophobicContact CB-CG 4.35Å; N289-E292 PolarHBondContact O-N 2.82Å; N289-F293 PolarHBondContact O-N 2.74Å
290P68.6Low69.1Low97 Ų97115.2 Ų115.263%0.6358%0.58SS**Hα-helixtrans-63.4-18.5-176.426.7-35.3000113D288D288-P290 WeakPolarHBondContact O-CD 3.41Å
291R66.1Low68.5Low200 Ų200116.3 Ų116.376%0.75559%0.589SS**Hα-helixtrans-77.4-21.5177.5-146.9175.9-171.4-161.51.8113.2N289 K295N289-R291 PolarHBondContact O-N 3.19Å; N289-R291 VanDerWaalsContact OD1-CB 3.27Å; N289-R291 WeakPolarHBondContact OD1-CB 3.31Å; N289-R291 PolarHBondContact OD1-N 3.27Å; R291-K295 WeakPolarHBondContact O-CG 3.42Å
292E75.2Confident67.9Low73 Ų73119.3 Ų119.334%0.34161%0.607SS.*Hα-helixtrans-85.7-30.8172.8-67.3-55.2133.600112.3N289 F294 K295 Q296N289-E292 HydrophobicContact CB-CG 4.35Å; N289-E292 PolarHBondContact O-N 2.82Å; E292-F294 PolarHBondContact O-N 3.06Å; E292-K295 PolarHBondContact O-N 2.88Å; E292-K295 WeakPolarHBondContact OE1-CD 3.46Å; E292-K295 WeakPolarHBondContact OE1-CE 3.36Å; E292-K295 IonicContact OE1-NZ 3.78Å; E292-K295 PolarHBondContact OE1-NZ 3.11Å; E292-K295 VanDerWaalsContact OE2-CD 3.3Å; E292-K295 WeakPolarHBondContact OE2-CD 3.48Å; E292-K295 IonicContact OE2-NZ 2.81Å; E292-Q296 WeakPolarHBondContact O-CG 3.43Å; E292-Q296 PolarHBondContact O-N 2.96Å
293F67.2Low67.1Low137 Ų137119 Ų11960%0.60162%0.619SS**Hα-helixtrans-56.2-48.4172.9-178.9-94000111.6N289 Q296 Q297N289-F293 PolarHBondContact O-N 2.74Å; F293-Q296 PolarHBondContact O-N 3.28Å; F293-Q297 PolarHBondContact O-N 3.34Å
294F68.3Low66.6Low137 Ų137119.2 Ų119.260%0.60163%0.629SS**Hα-helixtrans-64.8-41.3176.5-87.3-87.3000113.1E292 Q296 Q297 E298E292-F294 PolarHBondContact O-N 3.06Å; F294-Q296 VanDerWaalsContact C-N 3.26Å; F294-Q296 PolarHBondContact O-N 2.97Å; F294-Q297 PolarHBondContact O-N 3.01Å; F294-E298 WeakPolarHBondContact O-CB 3.37Å; F294-E298 PolarHBondContact O-N 3.14Å
295K74.4Confident65.5Low88 Ų88120.5 Ų120.538%0.38364%0.64SS.*Hα-helixtrans-61-32.4174.3-76.5172.6175.7178.50113.1R291 E292 R299R291-K295 WeakPolarHBondContact O-CG 3.42Å; E292-K295 PolarHBondContact O-N 2.88Å; E292-K295 WeakPolarHBondContact OE1-CD 3.46Å; E292-K295 WeakPolarHBondContact OE1-CE 3.36Å; E292-K295 IonicContact OE1-NZ 3.78Å; E292-K295 PolarHBondContact OE1-NZ 3.11Å; E292-K295 VanDerWaalsContact OE2-CD 3.3Å; E292-K295 WeakPolarHBondContact OE2-CD 3.48Å; E292-K295 IonicContact OE2-NZ 2.81Å; K295-R299 WeakPolarHBondContact O-CB 3.48Å; K295-R299 PolarHBondContact O-N 3.42Å; K295-R299 VanDerWaalsContact O-N 3.14Å
296Q69Low64.1Low118 Ų118116.5 Ų116.555%0.55164%0.64SS**Hα-helixtrans-74.4-39.2175.3-72.2-178.15.400111.5E292 F293 F294 R299 V300E292-Q296 WeakPolarHBondContact O-CG 3.43Å; E292-Q296 PolarHBondContact O-N 2.96Å; F293-Q296 PolarHBondContact O-N 3.28Å; F294-Q296 VanDerWaalsContact C-N 3.26Å; F294-Q296 PolarHBondContact O-N 2.97Å; Q296-R299 PolarHBondContact O-N 3.04Å; Q296-V300 WeakPolarHBondContact O-CG2 3.45Å; Q296-V300 PolarHBondContact O-N 3.29Å; Q296-V300 VanDerWaalsContact O-N 3.1Å
297Q66.6Low62.4Low117 Ų117114.6 Ų114.655%0.54765%0.651SS.*Hα-helixtrans-60.9-45.8173.9-171175.838.100111.9F293 F294 V300 A301F293-Q297 PolarHBondContact O-N 3.34Å; F294-Q297 PolarHBondContact O-N 3.01Å; Q297-V300 PolarHBondContact O-N 2.67Å; Q297-A301 PolarHBondContact O-N 3.02Å
298E66.2Low60.9Low136 Ų136113.1 Ų113.164%0.63664%0.642SS**Hα-helixtrans-58.8-46.5175.1-175.5174.8-144.700111.7F294 V300 A301 S302F294-E298 WeakPolarHBondContact O-CB 3.37Å; F294-E298 PolarHBondContact O-N 3.14Å; E298-V300 VanDerWaalsContact C-N 3.26Å; E298-V300 PolarHBondContact O-N 3.44Å; E298-A301 PolarHBondContact O-N 3.04Å; E298-S302 PolarHBondContact O-N 3.41Å; E298-S302 PolarHBondContact O-OG 2.93Å
299R68.5Low59.1Low169 Ų169113.5 Ų113.564%0.63864%0.644SS**Hα-helixtrans-67.7-21.5-180-162.3179.4-62.8126.30.6114K295 Q296K295-R299 WeakPolarHBondContact O-CB 3.48Å; K295-R299 PolarHBondContact O-N 3.42Å; K295-R299 VanDerWaalsContact O-N 3.14Å; Q296-R299 PolarHBondContact O-N 3.04Å
300V61.8Low57.3Low109 Ų109115.4 Ų115.466%0.66166%0.659SS**Hα-helixtrans-86-36.2172.9172.90000111.5Q296 Q297 E298 S302 A303Q296-V300 WeakPolarHBondContact O-CG2 3.45Å; Q296-V300 PolarHBondContact O-N 3.29Å; Q296-V300 VanDerWaalsContact O-N 3.1Å; Q297-V300 PolarHBondContact O-N 2.67Å; E298-V300 VanDerWaalsContact C-N 3.26Å; E298-V300 PolarHBondContact O-N 3.44Å; V300-S302 VanDerWaalsContact C-N 3.31Å; V300-S302 PolarHBondContact O-N 2.97Å; V300-A303 PolarHBondContact O-N 3.44Å
301A61.3Low56.4Low75 Ų75116 Ų11662%0.6266%0.663SS**Hα-helixtrans-62.6-34.7179.100000113.2Q297 E298 A303Q297-A301 PolarHBondContact O-N 3.02Å; E298-A301 PolarHBondContact O-N 3.04Å; A301-A303 PolarHBondContact O-N 3.49Å
302S59.7Low55Low108 Ų108112.1 Ų112.176%0.75567%0.666SS**THydrogen-bonded Turntrans-73.91.7-178.7-55.70000115.5E298 V300E298-S302 PolarHBondContact O-N 3.41Å; E298-S302 PolarHBondContact O-OG 2.93Å; V300-S302 VanDerWaalsContact C-N 3.31Å; V300-S302 PolarHBondContact O-N 2.97Å
303A55.1Low54.1Low84 Ų84113.5 Ų113.569%0.69468%0.682SS**THydrogen-bonded Turntrans-100.8-9.4-170.200000115.6V300 A301V300-A303 PolarHBondContact O-N 3.44Å; A301-A303 PolarHBondContact O-N 3.49Å
304S55Low52.4Low104 Ų104114.5 Ų114.573%0.72769%0.686SS**SBendtrans-152.780.1-175.866.10000115.2
305A45.3Very low50.7Low111 Ų111114.6 Ų114.692%0.91769%0.693SS**  trans-157.5102.2158.900000110.6
306G38.6Very low48.9Very low72 Ų72117.2 Ų117.274%0.74271%0.706SS**  trans-131.1151.5169.900000110.7
307S34.5Very low47.3Very low115 Ų115122.6 Ų122.680%0.80472%0.721SS**  trans84.4142.3174.8-160.60000118.8
308C34.6Very low46.4Very low101 Ų101122.4 Ų122.468%0.68273%0.73SS**  trans56.4116.6158.446.10000124
309D32.6Very low44.8Very low142 Ų142119.8 Ų119.876%0.75974%0.74SS**  61.298.6124.1-52-50.2000123
310V34.7Very low43.3Very low130 Ų130121.1 Ų121.179%0.78875%0.745SS**  34.6138.296.4-175.70000117.7
311P49.4Very low42.5Very low111 Ų111121.7 Ų121.772%0.72175%0.751SS**  cis-139.4149-9.135.6-15.4000118.6
312S37.8Very low41Very low117 Ų117127.7 Ų127.782%0.81876%0.759SS**  trans57.9-174.8141.7-126.30000119.4
313P55.2Low40Very low103 Ų103125.9 Ų125.967%0.66975%0.745SS**  cis-135.3-179-13.340.5-22.1000117.2
314F32.2Very low39.8Very low157 Ų157127.2 Ų127.269%0.68975%0.747SS**  trans68.2111.3144.8-112.3-100.8000122.1H316F314-H316 AromaticContact CE1-NE2 3.45Å; F314-H316 WeakPolarHBondContact CE1-NE2 3.21Å
315N33Very low38.6Very low139 Ų139131 Ų13174%0.74375%0.751SS**  -177.9163.3105.3-103.2-75000115.7
316H36.5Very low38.4Very low144 Ų144132.2 Ų132.267%0.66774%0.74SS**  trans-88-179.7-174.9-39.2-76.2000112.4F314F314-H316 AromaticContact CE1-NE2 3.45Å; F314-H316 WeakPolarHBondContact CE1-NE2 3.21Å
317R35.5Very low38.2Very low230 Ų230138 Ų13887%0.86875%0.745SS**  cis-170.1-161.52.1-136.4-177.3174-143.32.5105.5
318P46.4Very low38.1Very low113 Ų113136.4 Ų136.473%0.73474%0.739SS**  cis-124.4178.5-38.440.4-26.1000113.3
319G32.4Very low38Very low81 Ų81136.4 Ų136.484%0.83574%0.74SS**  trans149.9112.7157.900000116.1
320R38.5Very low37.7Very low197 Ų197136.5 Ų136.574%0.74374%0.741SS**  trans-110158.7167-130.6-170.2-179.6-107.5-9.4107.6C323R320-C323 PolarHBondContact NH2-SG 3.35Å
321P44Very low37.7Very low121 Ų121136.3 Ų136.379%0.78675%0.745SS**  -149162.56840.5-22000118.2
322Y29.1Very low36.9Very low201 Ų201134.4 Ų134.479%0.78875%0.746SS**  trans75.2157.6152-133.8-112.7000120.4
323C39.6Very low37.4Very low71 Ų71134.9 Ų134.948%0.4875%0.746SS.*  trans-149.8-173.4-167-50.10000106.9R320R320-C323 PolarHBondContact NH2-SG 3.35Å
324P50.8Low36.3Very low111 Ų111135.1 Ų135.172%0.72175%0.75SS**  cis-141.2-166.6541.1-20000115.8
325F30.9Very low36.5Very low185 Ų185132.7 Ų132.781%0.81175%0.753SS**  trans111.6121.9140-126.9-129.5000120
326I40.1Very low36.7Very low135 Ų135130.9 Ų130.969%0.69275%0.751SS**  trans60.3114.2161.7-60.3174000120.3
327K33.8Very low36.5Very low193 Ų193129 Ų12984%0.83975%0.754SS**  -153.8146122-94.4166.9-175-178.60105.9
328A32.7Very low36.5Very low83 Ų83123.2 Ų123.269%0.68675%0.749SS**  66.213655.700000111.9
329S31.8Very low35.9Very low101 Ų101123.3 Ų123.371%0.70675%0.752SS**  cis-155.9171.28.3-31.50000112.9
330D28Very low36Very low144 Ų144124.9 Ų124.977%0.7775%0.75SS**  trans28.3132.4144.4-55.9-53000124.7
331S34Very low35.7Very low125 Ų125120.5 Ų120.587%0.87475%0.75SS**  trans64.5145143.169.50000119.9
332G32.4Very low35.3Very low72 Ų72120 Ų12074%0.74275%0.749SS**  cis173.7-163-1.500000108.1
333P48.5Very low35.8Very low126 Ų126116.4 Ų116.482%0.81875%0.75SS**  cis-124.8-168-17.942.1-26000113.2
334S32.3Very low35.6Very low109 Ų109118.9 Ų118.976%0.76277%0.766SS**  trans-32.1155.1168.2-43.50000117.1
335S36.3Very low34.9Very low106 Ų106125.5 Ų125.574%0.74178%0.776SS**  cis-173.4164.12.6-112.70000108.2
336S36.4Very low35.1Very low100 Ų100123.3 Ų123.370%0.69978%0.778SS**  cis-147.8-156.7-7.2-84.50000106
337S34Very low35.7Very low105 Ų105122.3 Ų122.373%0.73478%0.78SS**  cis-158.2168.213.6-58.70000112
338S35.3Very low35.6Very low108 Ų108123.7 Ų123.776%0.75579%0.787SS**  trans51.2106.7152.6-55.10000121.9
339S33.5Very low36.7Very low115 Ų115124.4 Ų124.480%0.80478%0.784SS**  trans65.7115.5133.3-51.30000119.5
340S33.4Very low36.5Very low115 Ų115129.9 Ų129.980%0.80479%0.791SS**  174.8174.971.3520000113.2
341S32.1Very low36.7Very low104 Ų104129.1 Ų129.173%0.72779%0.786SS**  trans71.2101.1156.3-155.50000121.4
342S35.5Very low36.5Very low110 Ų110128.6 Ų128.677%0.76978%0.777SS**  47.3142.5125.4-57.30000123.7
343P39.7Very low36.3Very low126 Ų126131.4 Ų131.482%0.81878%0.784SS**PPolyproline II helixtrans-95.9148.7-167.837.2-36.7000116.4
344P36.4Very low35.5Very low124 Ų124133.7 Ų133.781%0.80578%0.784SS**PPolyproline II helixtrans-93154.9161.335.4-31.9000113.3
345R35.9Very low35.3Very low250 Ų250139.4 Ų139.494%0.94379%0.789SS**PPolyproline II helixtrans-55.7144.4-176-68.5169165.2148.7-6.3115.5
346T34.9Very low35.2Very low139 Ų139139.9 Ų139.985%0.85379%0.787SS**PPolyproline II helixtrans-95.3150.5153.852.40000111.3
347P52.3Low36.2Very low113 Ų113140.2 Ų140.273%0.73479%0.787SS**  trans-117.1141.4174.337.7-28.1000113.9
348F31.7Very low36Very low222 Ų222142 Ų14297%0.97479%0.788SS**  trans-152.4164.1157.9-89.7-44.3000111.1
349P56.6Low35.9Very low98 Ų98143.3 Ų143.364%0.63679%0.786SS**  trans-133.9163.4-149.840.4-22.8000116.1
350Y27.6Very low35.8Very low216 Ų216142.4 Ų142.485%0.84778%0.78SS**  trans-160.6130.2145-104.7-84.5000105.2
351I31.9Very low35.6Very low129 Ų129142.4 Ų142.466%0.66278%0.78SS**  60.6115.454.7-63.7176000110.9
352T29.2Very low35.5Very low113 Ų113142.6 Ų142.669%0.69378%0.781SS**  cis-163.4150.3-619.10000108.9
353C28.8Very low35.6Very low131 Ų131144.8 Ų144.889%0.88578%0.783SS**  trans-149.1145.4156.8-101.90000113.1
354H30.7Very low35.8Very low175 Ų175144.2 Ų144.281%0.8178%0.78SS**  trans-81.3148.8-153.5-62.9-99000117.1
355R29.9Very low35.4Very low229 Ų229143.6 Ų143.686%0.86478%0.777SS**  trans-51.4156.8147.7-87.6-172157.2-175.4-4.6110.5
356T33.5Very low35.3Very low116 Ų116136.5 Ų136.571%0.71277%0.766SS**  cis179.9-171.217.8220000107.3
357P56.8Low35.2Very low106 Ų106137.5 Ų137.569%0.68876%0.76SS**  -141.5177.3-50.841.1-23.7000116.3
358N31.1Very low34.3Very low142 Ų142138.7 Ų138.776%0.75976%0.76SS**  trans91.7153.7134.5-136.2-4.9000123.7
359L32.3Very low34.3Very low137 Ų137134.9 Ų134.972%0.71775%0.749SS**  trans82.8106.6155.9-62.3-178.9000124
360S30.5Very low33Very low96 Ų96135 Ų13567%0.67175%0.753SS**  98.6131.1114.271.60000123.6
361S29.6Very low33.3Very low115 Ų115133.3 Ų133.380%0.80475%0.752SS**  trans64.1150.2154.333.50000119.6
362S30.2Very low33.3Very low108 Ų108137.2 Ų137.276%0.75576%0.759SS**  cis-152.5154.86.246.40000113.4
363L36.9Very low33.4Very low155 Ų155140.7 Ų140.781%0.81276%0.759SS**  trans-100.6157.6157.1-69.5173.2000110
364P45.8Very low33.5Very low115 Ų115143 Ų14375%0.74776%0.759SS**  -122.4147.195.50.920.9000111.9
365C27.6Very low33.5Very low110 Ų110139 Ų13974%0.74376%0.756SS**  65.7136.666.7-62.80000114
366S33.6Very low34.4Very low102 Ų102134 Ų13471%0.71375%0.753SS**  cis-162.7-166.1-4.947.70000108.1
367H31.9Very low34.4Very low159 Ų159134.1 Ų134.174%0.73675%0.754SS**  cis-167.2176.714.8-153.712.7000111.8
368L34.8Very low33.9Very low138 Ų138135.2 Ų135.272%0.72376%0.761SS**  trans66.3147.3162.4-59.4165.9000119.3
369D30.2Very low34.1Very low142 Ų142135.5 Ų135.576%0.75976%0.761SS**  cis-161155.8-31.2-168.521.6000109.4
370S30.9Very low34.7Very low101 Ų101134.2 Ų134.271%0.70676%0.761SS**  trans-166.799.4168.8-171.60000114.2
371H33.4Very low34.6Very low181 Ų181135.3 Ų135.384%0.83876%0.764SS**  trans-164.9116.6158.6-87.3-23.1000113.2
372R30.6Very low34.6Very low211 Ų211140.9 Ų140.980%0.79677%0.767SS**  -177.8121.6128.4-104.8-173.2179.7-149.13116.7
373R32.2Very low34.6Very low185 Ų185140.9 Ų140.970%0.69877%0.767SS**  trans59.4117.4131.7-72.6-177.7-179-157.80.3123.1
374M31.7Very low35.2Very low180 Ų180139 Ų13989%0.88776%0.764SS**  84.3140.6120.6-62.7-66.3175.600121.5
375A30.9Very low34.5Very low91 Ų91138.1 Ų138.175%0.75276%0.761SS**  trans-80.2-175.4-174.400000113.2
376P48.2Very low34.5Very low124 Ų124140 Ų14081%0.80576%0.764SS**  cis-138.4-176.826.343.1-23.4000118
377T34.3Very low34.3Very low118 Ų118140.4 Ų140.472%0.72477%0.766SS**  trans-83.6179.4174.551.70000113.2
378P44.9Very low34.2Very low129 Ų129137.8 Ų137.884%0.83877%0.766SS**  -134.2163112.638.5-30.9000115.1
379I35.5Very low34.1Very low149 Ų149137.8 Ų137.876%0.76477%0.772SS**  trans-119.7148.4170.2-27.9175.2000107.8
380P45.6Very low34Very low110 Ų110135.4 Ų135.471%0.71477%0.772SS**  -147163.4108.135.5-18.3000112.9
381T28Very low34Very low119 Ų119136.3 Ų136.373%0.7378%0.778SS**  cis-166159.2-3.415.20000111.5
382R29.6Very low34.2Very low231 Ų231134 Ų13487%0.87278%0.777SS**  trans68.2110.7144.7-78.4175.2165.1-118.6-4.5122
383S30.7Very low34.8Very low108 Ų108129.4 Ų129.476%0.75578%0.775SS**  trans-71.1-179.4136.1-16.50000111
384P49.5Very low34.7Very low115 Ų115127.5 Ų127.575%0.74778%0.783SS**  cis-139.2-17029.943.4-22.9000117.3
385S29.9Very low34.6Very low98 Ų98123.2 Ų123.269%0.68578%0.776SS**  trans-10.4151.6163.8-39.40000120.1
386D27.6Very low34.6Very low149 Ų149127.7 Ų127.780%0.79778%0.782SS**  -165.2161.472.7-86.8-32.6000116.3
387S29.6Very low33.7Very low110 Ų110130.3 Ų130.377%0.76978%0.783SS**  trans39.2113.6149.1-58.80000124.9
388S31.2Very low33.7Very low105 Ų105133.1 Ų133.173%0.73479%0.792SS**  trans11.5143.6131.5-54.70000124.1
389T32Very low33.2Very low138 Ų138134.4 Ų134.485%0.84779%0.787SS**  trans58126.7143.954.60000118.7
390A27.7Very low33.1Very low91 Ų91138 Ų13875%0.75279%0.791SS**  -177.2-179.659.700000113.1
391S30.3Very low32.4Very low120 Ų120137.9 Ų137.984%0.83980%0.799SS**  trans73.8118.6159.2-570000120.6
392T37.9Very low32.5Very low133 Ų133139.6 Ų139.682%0.81680%0.803SS**  trans-79.5166154.855.10000110.8
393P43.5Very low32.5Very low115 Ų115135.9 Ų135.975%0.74780%0.8SS**  -150.315393.938.6-22.2000116.8
394V29.3Very low32.5Very low145 Ų145138.5 Ų138.588%0.87980%0.8SS**  trans56.3141139.2178.90000120.4
395A30Very low31.5Very low89 Ų89138.6 Ų138.674%0.73680%0.799SS**  trans-96.7154.4176.900000113.1
396E32.1Very low31.6Very low186 Ų186139.7 Ų139.787%0.86980%0.802SS**  trans-166.4177.1144.9-117.9177.6-166.500110.6
397Q29.5Very low31.7Very low178 Ų178137.7 Ų137.783%0.83280%0.799SS**  trans72.663.2174.5-52.1-175.519.500118.4
398I34Very low31.9Very low178 Ų178138.2 Ų138.291%0.91380%0.803SS**  trans-128.876.7141.4-51.7-178.1000109.7
399E34.8Very low32.2Very low155 Ų155141.6 Ų141.672%0.72481%0.807SS**  trans-142.5155.6155.9-89.4-151.6151.900108.6
400R32.7Very low32.5Very low225 Ų225140.2 Ų140.285%0.84980%0.8SS**  trans71.480.5173.4-53.4163.7-148.6-100.5-17116.1
401A30.1Very low33.4Very low107 Ų107141.4 Ų141.488%0.88480%0.8SS**  trans-152.865.5151.800000110.6
402L31.5Very low34.2Very low156 Ų156141.4 Ų141.482%0.81780%0.797SS**  trans-134131.6171.9-109.8165.8000107.8
403D29.6Very low34.6Very low152 Ų152143 Ų14381%0.81380%0.801SS**  trans58.8145.1-170.4-53-47000114.5
404E30.7Very low35.2Very low163 Ų163143 Ų14376%0.76280%0.8SS**  cis-146.6155.6-0.1-141.6-163.8127.500105.5
405V28.6Very low36.7Very low118 Ų118141.6 Ų141.672%0.71579%0.794SS**  -170.7134.666.81690000110.6
406T30.6Very low37.9Very low121 Ų121143 Ų14374%0.74280%0.795SS**  trans-3.8127.1148.9-55.60000120.4
407S30.5Very low39.1Very low107 Ų107139.9 Ų139.975%0.74879%0.791SS**  167.9111.6111.1-174.90000114.9
408S33.3Very low40Very low120 Ų120136.8 Ų136.884%0.83979%0.787SS**  trans161.1136.3137.6-75.80000112
409Q37.3Very low40.4Very low176 Ų176134.2 Ų134.282%0.82278%0.782SS**  trans-117.6136.8-171172.8-174.91.600112.9
410P39Very low40.4Very low109 Ų109131.6 Ų131.671%0.70879%0.786SS**PPolyproline II helixtrans-95.7159.8158.56.514000112.9
411P45.8Very low40.4Very low116 Ų116129.8 Ų129.875%0.75379%0.788SS**PPolyproline II helixtrans-85.4160.8-17334.5-36.7000114.9
412P47.8Very low40.4Very low120 Ų120134.1 Ų134.178%0.77979%0.79SS**PPolyproline II helixtrans-78.3162177.633.3-36.6000114
413L46.8Very low40.4Very low168 Ų168132.7 Ų132.788%0.8879%0.788SS**PPolyproline II helixtrans-83.3156.5175.6-72.9170000112.6
414P55.4Low40.3Very low113 Ų113134.8 Ų134.873%0.73479%0.792SS**PPolyproline II helixtrans-81.9158-168.932.6-37000115
415P61.3Low40.3Very low116 Ų116134.1 Ų134.175%0.75379%0.79SS**PPolyproline II helixtrans-79.2162.217833.7-36.9000113.8
416P55.2Low40.8Very low118 Ų118134.1 Ų134.177%0.76679%0.792SS**PPolyproline II helixtrans-70.8157.1174.630.4-35.9000113.2
417P56.1Low40.9Very low121 Ų121132.6 Ų132.679%0.78679%0.786SS**PPolyproline II helixtrans-74.7155.8-177.631-35.9000113.7
418P49.6Very low41.4Very low114 Ų114132.6 Ų132.674%0.7478%0.783SS**PPolyproline II helixtrans-84.5158.1-173.234.5-37.1000114.1
419P41.4Very low41.1Very low124 Ų124134 Ų13481%0.80578%0.78SS**PPolyproline II helixtrans-69.6140.8163.831.3-34.1000110.7
420A36.1Very low40.9Very low99 Ų99132.5 Ų132.582%0.81878%0.777SS**PPolyproline II helixtrans-78.8142.2178.400000112.1
421Q32.3Very low40.4Very low187 Ų187133.5 Ų133.587%0.87478%0.776SS**  trans-110.2125.1160.9-70.2-174.6-36.300108.6
422E30.1Very low39.7Very low198 Ų198132 Ų13293%0.92577%0.769SS**  trans-115.4133.3158.6-76.1-16594.400108.9
423T30.9Very low39.1Very low127 Ų127134.5 Ų134.578%0.77977%0.77SS**  trans-131.7104.1-179.6-61.20000109
424Q27.1Very low38.3Very low195 Ų195134.4 Ų134.491%0.91177%0.765SS**  trans-159.4124.6158.2-118.3164.448.900112.4
425E31.1Very low37.1Very low150 Ų150134.2 Ų134.270%0.70176%0.762SS**  trans-76.6165.4152.2-118.7-142103.300108.8S427E425-S427 PolarHBondContact OE1-N 3.2Å; E425-S427 PolarHBondContact OE1-OG 3.36Å
426P40Very low35.6Very low117 Ų117139.5 Ų139.576%0.7677%0.767SS**  cis-141.4171.937.639.7-19.4000119
427S31.8Very low34.3Very low90 Ų90138.3 Ų138.363%0.62977%0.767SS**  trans-47.4162.6159.8-57.90000113.7E425E425-S427 PolarHBondContact OE1-N 3.2Å; E425-S427 PolarHBondContact OE1-OG 3.36Å
428P41.4Very low33Very low106 Ų106137.5 Ų137.569%0.68877%0.771SS**  cis-158.2-173.239.942.3-18.5000119.8
429I26.2Very low31.9Very low151 Ų151136.6 Ų136.677%0.77477%0.772SS**  trans67.7129.4139.1-87.7166.9000118.5
430L32.6Very low32.3Very low144 Ų144135.8 Ų135.875%0.75477%0.767SS**  cis-139.4-162.25.4-54.7162000109.2
431D29Very low32.2Very low129 Ų129139.2 Ų139.269%0.6977%0.767SS**  cis-160.6179.2-11.5-136.8-38.6000110.8
432S32.3Very low32Very low85 Ų85133.6 Ų133.659%0.59475%0.752SS**  trans52.7140.7156.6-70.20000121
433E33.5Very low32.1Very low173 Ų173136 Ų13681%0.80875%0.753SS**  cis-171.1163.30.2-103157.959.100106.5
434E32Very low31.9Very low166 Ų166134.2 Ų134.278%0.77675%0.751SS**  cis-161.7141.1-15.1169.9-178.186.100108.7
435T28.3Very low32Very low108 Ų108128.2 Ų128.266%0.66374%0.741SS**  trans69.5143.1156.4-72.60000118.5
436R30Very low32.6Very low227 Ų227127 Ų12786%0.85775%0.746SS**  cis-151131.225.6-154.8153.5-168.71583.2116
437A28.1Very low31.9Very low93 Ų93129.6 Ų129.677%0.76975%0.75SS**  trans42139141.200000125.6
438A28.9Very low31.7Very low105 Ų105134.4 Ų134.487%0.86876%0.763SS**  trans92.4107.7142.700000120.5
439A26.3Very low31.2Very low94 Ų94137.9 Ų137.978%0.77777%0.77SS**  trans-106-158.8164.800000108.7
440P49.4Very low32.6Very low108 Ų108135.2 Ų135.270%0.70176%0.762SS**  cis-124.3-151.2-1.335.7-11.1000110.8
441Q34.5Very low33.3Very low171 Ų171134.5 Ų134.580%0.79977%0.767SS**  cis-163.8179.55.3-149.1151.67.100109.4
442A29.1Very low33.2Very low69 Ų69137.2 Ų137.257%0.5778%0.775SS**  -155.6175.1-80.600000109.9
443W31.1Very low33.1Very low247 Ų247137.2 Ų137.294%0.93678%0.78SS**  trans73.3150.6164.9-60.1-13.2000117.9
444A28.2Very low32.9Very low91 Ų91138.3 Ų138.375%0.75279%0.785SS**  cis-164170.2-17.700000110.7
445G28.3Very low32.9Very low68 Ų68134.6 Ų134.670%0.70178%0.783SS**  trans-81.2-161.2158.300000112.2
446P42.8Very low33.6Very low124 Ų124134.8 Ų134.881%0.80579%0.786SS**  cis-146.4174.324.145.9-27.3000118
447M26.4Very low33.4Very low172 Ų172131.7 Ų131.785%0.84779%0.786SS**  trans36.1125.7131.2-170.6172.6178.900122.7
448E28.2Very low33.3Very low191 Ų191138.8 Ų138.889%0.89379%0.793SS**  -167.5177.4113.7-111.6-163124.900113.2
449E29.8Very low33.2Very low179 Ų179136.5 Ų136.584%0.83678%0.78SS**  trans-112-151.1-170.7-145.7-159.3107.500112.6
450P56.1Low33.6Very low95 Ų95138.7 Ų138.762%0.61779%0.786SS**  trans-109.8-170.5-145.337.8-16.7000113.9
451P46.3Very low32.5Very low130 Ų130137 Ų13784%0.84479%0.788SS**  -149.9-173.6105.339.6-22.6000115.2
452Q28.7Very low32.4Very low186 Ų186134.7 Ų134.787%0.86979%0.79SS**  trans-100.8162.6-179-58.1-174.6-7.600115.5
453A29.8Very low33.1Very low84 Ų84137.2 Ų137.269%0.69480%0.801SS**  trans85.5160.6133.900000122.9
454Q29.2Very low33Very low196 Ų196130 Ų13092%0.91679%0.794SS**  trans92.1123.7163.2-51.4-166.110.500119.2
455A30.8Very low33.2Very low89 Ų89135.2 Ų135.274%0.73680%0.803SS**  trans-97.2165.9157.400000109.3
456P44.5Very low33.2Very low112 Ų112138.5 Ų138.573%0.72781%0.805SS**  -156.5164.1103.339-20.7000118.1
457L24.5Very low32.9Very low162 Ų162139.3 Ų139.385%0.84880%0.802SS**  trans53.1113.4145.8-68.2164.9000121.5
458R25.8Very low33Very low241 Ų241139.2 Ų139.291%0.90980%0.801SS**  177.1145.5100.2-115.3-177.1177.2161.6-0.2114.8
459G27.3Very low32.9Very low58 Ų58139.3 Ų139.360%0.59880%0.799SS**  trans-84.9171.8147.600000110.6
460P35.8Very low32.8Very low140 Ų140138.5 Ų138.591%0.90980%0.797SS**  cis-123.6-172.447.240.6-27.1000112.2
461G25.4Very low31.6Very low71 Ų71141.1 Ų141.173%0.73280%0.801SS**  cis143.81421.500000110.1
462S31.6Very low31Very low123 Ų123140 Ų14086%0.8680%0.796SS**  trans-68.3164.6-174.3-32.10000113.3
463P45.5Very low31.2Very low122 Ų122135.3 Ų135.379%0.79279%0.789SS**  -151.7161.57540.7-21.7000118.9
464A27.4Very low31.1Very low96 Ų96139.1 Ų139.179%0.79379%0.792SS**  trans32120.4142.500000123.7
465E33.2Very low31.1Very low201 Ų201137.3 Ų137.394%0.93978%0.784SS**  trans-149.7163.7132.3-67.2-169.1162.800107.1
466D28.6Very low30.9Very low137 Ų137137.4 Ų137.473%0.73379%0.785SS**  cis-161.7175.6-49.1-169.315.2000107.9
467L35.1Very low29.9Very low141 Ų141138.4 Ų138.474%0.73879%0.788SS**  trans76.3141.5166.7-48.9-179.9000118.8
468M30.2Very low30Very low169 Ų169138.6 Ų138.683%0.83379%0.79SS**  cis-167.5162.9-36.3-112.7-85.1-102.200108.7
469F26.1Very low29.9Very low193 Ų193132.2 Ų132.285%0.84679%0.788SS**  trans-130.9147.1-163-143.3-85.8000113.1
470M26.9Very low29.9Very low162 Ų162133.8 Ų133.880%0.79880%0.796SS**  trans-154.9115.5156.8-95.7176.171.100106.8
471E31.6Very low29.8Very low151 Ų151132.7 Ų132.771%0.70679%0.788SS**  85.1137.767.2-174.1175.2-130.600111.3
472S32.7Very low29.9Very low106 Ų106135.7 Ų135.774%0.74179%0.792SS**  cis-124.2-178.411.3-26.70000111.4
473A32.5Very low29.8Very low87 Ų87137.3 Ų137.372%0.71979%0.786SS**  cis-162.4170.6-3.800000108.1
474E28.5Very low29.5Very low164 Ų164137.3 Ų137.377%0.76679%0.786SS**  cis-148.5-103.4-11.8-141.6-159.9117.400113.2
475Q29.3Very low29.4Very low158 Ų158136.5 Ų136.574%0.73878%0.78SS**  trans-136.2128.3-162.2-69.5177.666.800116.8
476A26.9Very low29.1Very low91 Ų91133.4 Ų133.475%0.75278%0.775SS**  4416012000000125.8
477V23.5Very low29.1Very low133 Ų133131.2 Ų131.281%0.80678%0.776SS**  trans102.1109.1155.5-170.40000119.7
478L25.3Very low28.7Very low167 Ų167132 Ų13287%0.87478%0.78SS**  trans22.5145.7144.1-59173.4000124.4
479A24.1Very low28.7Very low106 Ų106127.3 Ų127.388%0.87677%0.769SS**  trans99.1134.8145.100000119.7
480A27.1Very low28.8Very low92 Ų92123.9 Ų123.976%0.7676%0.764SS**  trans-99.3163.1165.800000109.8
481P34.7Very low29Very low116 Ų116124.4 Ų124.475%0.75376%0.764SS**  -154.8160.185.439.8-20.9000118
482V26.5Very low28.8Very low134 Ų134122.1 Ų122.181%0.81276%0.761SS**  trans55127.1135.4179.30000121.9
483E29.5Very low28.8Very low157 Ų157124.4 Ų124.473%0.73476%0.759SS**  trans8.1152.9137.2-72.1-70.9128.600120.5A485E483-A485 PolarHBondContact OE2-N 2.95Å
484P39.2Very low28.4Very low122 Ų122127 Ų12779%0.79276%0.761SS**  cis-153166.444.442.7-21.2000122.2
485A25.4Very low28.4Very low79 Ų79123.1 Ų123.165%0.65376%0.757SS**  trans-13.4150.4154.500000124.4E483E483-A485 PolarHBondContact OE2-N 2.95Å
486T28.1Very low28.5Very low136 Ų136119.8 Ų119.883%0.83476%0.757SS**  trans-140.9130.4132.544.70000106.7
487A28.2Very low28.6Very low92 Ų92123.1 Ų123.176%0.7676%0.762SS**  64.5133.667.800000112.8
488D26.4Very low28.9Very low156 Ų156120 Ų12083%0.83475%0.75SS**  cis-153.2173.221.3-155.67.5000114.9
489A30.2Very low29.3Very low72 Ų72119.1 Ų119.160%0.59575%0.745SS**  trans-11.6167.8159.100000122.2
490T29.1Very low29.7Very low120 Ų120121.5 Ų121.574%0.73674%0.738SS**  cis-153148.84.914.50000107.5
491E29.3Very low29.8Very low173 Ų173123.2 Ų123.281%0.80874%0.739SS**  57.7141.572.7-83-170.4-168.500115.9
492V29.2Very low29.7Very low104 Ų104124.1 Ų124.163%0.6374%0.737SS**  cis-174.9173.3-16.8105.60000110.8
493H31Very low29.8Very low153 Ų153124 Ų12471%0.70874%0.737SS**  trans69.7129.1166.3-76.6-37000118.4
494D26Very low29.9Very low142 Ų142120.9 Ų120.976%0.75974%0.738SS**  74.2149.177.1-75.1-34.8000115.2
495A28.3Very low29.5Very low83 Ų83122.3 Ų122.369%0.68675%0.745SS**  cis-170.7168.1-18.700000110.9
496A30.3Very low29.7Very low88 Ų88123.1 Ų123.173%0.72775%0.751SS**  trans67.5149.515400000122.3
497D28.4Very low29.7Very low160 Ų160123.8 Ų123.886%0.85675%0.75SS**  trans60.4150.4150-68.8-22.9000121.8
498A30.4Very low29.9Very low67 Ų67124.6 Ų124.655%0.55475%0.746SS**  cis-170.5175.3-18.300000109.6
499I33.8Very low30.1Very low150 Ų150123.2 Ų123.277%0.76974%0.743SS**  trans34.1149.7149.966.5-180000121.4
500E31.7Very low30.1Very low156 Ų156127 Ų12773%0.72976%0.758SS**  cis-167-165.30.2-120.2178.2165.700108.1
501T30.7Very low30.1Very low127 Ų127125.1 Ų125.178%0.77976%0.755SS**  trans76.3140.5158.4740000117.1
502D31.1Very low30.2Very low135 Ų135123.9 Ų123.972%0.72275%0.754SS**  cis-164171.7-18.8-143.8-30.5000112.5
503T30.3Very low30.2Very low133 Ų133125.9 Ų125.982%0.81676%0.761SS**  trans67.7154156.258.60000120.6
504A29.9Very low30.7Very low91 Ų91125.5 Ų125.575%0.75277%0.769SS**  trans-131.3162.2-177.400000112.2
505T30.9Very low31.3Very low152 Ų152123.9 Ų123.993%0.93377%0.766SS**  trans-167.5161.9143.69.70000109.8
506A31.1Very low32.5Very low95 Ų95125.3 Ų125.379%0.78577%0.769SS**  trans-96.5163.6-170.900000113.3
507D27.6Very low32.5Very low150 Ų150125.9 Ų125.980%0.80277%0.773SS**  -160.1147.4112.8-131.9-33.1000116.5
508T31.2Very low32.6Very low110 Ų110122.5 Ų122.568%0.67577%0.767SS**  trans30.8105.2149.6-62.50000122.6
509T31.5Very low32.7Very low126 Ų126125.8 Ų125.877%0.77378%0.781SS**  trans16.6129.6139.766.10000122.9
510V29.6Very low33.1Very low153 Ų153124.4 Ų124.493%0.92778%0.784SS**  trans-138156.2143.2-179.80000108.5
511A30.1Very low33.1Very low80 Ų80124.1 Ų124.166%0.66179%0.787SS**  trans-115.7169.8-171.300000115
512N30.4Very low33.5Very low146 Ų146126 Ų12678%0.78179%0.791SS**  trans84.1139.6160.7-66.3-13.8000121.2
513N30.3Very low33.8Very low146 Ų146125.1 Ų125.178%0.78179%0.786SS**  trans70.9107.4151.4-61.3-4.9000120.1
514V41.3Very low34.2Very low145 Ų145124.7 Ų124.788%0.87978%0.778SS**  trans-91.5131.5167172.10000111.1
515P38.9Very low34.7Very low109 Ų109131.1 Ų131.171%0.70878%0.783SS**  trans-137.4-170.3142.744.4-30.5000110.6
516P53.8Low35.6Very low113 Ų113129.3 Ų129.373%0.73477%0.774SS**  -137.8175.2-8640.8-22.5000116.6
517A29.4Very low35.4Very low100 Ų100128.7 Ų128.783%0.82678%0.777SS**  trans69.6124.6146.900000123
518A31.2Very low35.7Very low88 Ų88129.7 Ų129.773%0.72778%0.782SS**  trans-164.9105.6149.800000107.8
519T32.3Very low35.7Very low137 Ų137126.8 Ų126.884%0.8477%0.774SS**  73.694.381.560.20000116.9
520S41.3Very low35.7Very low120 Ų120130.7 Ų130.784%0.83978%0.783SS**  trans5142.5145.3-167.80000121.5
521L31.5Very low35.8Very low150 Ų150126.8 Ų126.879%0.78577%0.774SS**  trans-154.5121.5149-166.877000112.6
522I40Very low35.8Very low167 Ų167127.7 Ų127.786%0.85678%0.782SS**  trans-167.7139.7148.5-108.6163.1000108.8
523D36.8Very low35.8Very low117 Ų117125.4 Ų125.463%0.62678%0.777SS**  trans-114.8140-171.4-94.9-52.9000110.3
524L39.3Very low35.7Very low124 Ų124124.1 Ų124.165%0.64978%0.775SS**  57.7139.6100.4-86.656.7000114
525W39.3Very low35.1Very low225 Ų225123.9 Ų123.985%0.85277%0.768SS**  cis-173.1-171.638.9-120.7-17.5000109.4
526P51.3Low34.6Very low115 Ų115127.4 Ų127.475%0.74778%0.775SS**  cis-130.8167.2-25.636-19.8000114.1
527G25.7Very low33.4Very low82 Ų82125.8 Ų125.885%0.84578%0.779SS**  trans-135.9138.5161.500000110.5
528N33.9Very low33.3Very low171 Ų171129 Ų12991%0.91478%0.777SS**  trans-118144.2-176.2-171.387.9000109.1
529G30.8Very low34.2Very low49 Ų49129.8 Ų129.851%0.50577%0.774SS.*  cis-177.2-170.8-1.100000109.6
530E32.8Very low34Very low207 Ų207134.3 Ų134.397%0.96778%0.776SS**  trans66.8134.6179-52.5-178.195.900116.5
531G31.3Very low33.6Very low71 Ų71132.6 Ų132.673%0.73277%0.769SS**  cis166.5110.8-13.600000114.9
532A29.9Very low34.3Very low100 Ų100130.7 Ų130.783%0.82677%0.766SS**  trans65152.9162.900000118.2
533S30.6Very low33.8Very low98 Ų98129.3 Ų129.369%0.68577%0.765SS**  cis-168145.1-16.2-103.30000111.5
534T27.7Very low34.4Very low118 Ų118129.2 Ų129.272%0.72477%0.771SS**  trans51.1145.9142.864.40000122.1
535L30.1Very low34.8Very low141 Ų141129.1 Ų129.174%0.73878%0.778SS**  cis-170.6158-5.9-108.9170.2000110.2
536Q28.1Very low34.4Very low182 Ų182124.5 Ų124.585%0.8578%0.78SS**  trans61.1152.1154.4-68-177.110.300122.1
537G27Very low33.2Very low79 Ų79122.6 Ų122.681%0.81478%0.781SS**  trans148.336.1133.900000122.7
538E28.9Very low33.4Very low169 Ų169125 Ų12579%0.7978%0.78SS**  trans-71.1169.9163.2-113.6-150.5100.100112
539P49.7Very low33Very low104 Ų104125.6 Ų125.668%0.67578%0.777SS**  cis-138.2177.16.139.8-20.1000117.7
540R28.4Very low32.8Very low231 Ų231129.4 Ų129.487%0.87279%0.79SS**  trans23.4147.3145.9-76.8-175.3160.7139.3-5.2122.2
541A31.6Very low32.6Very low84 Ų84125.6 Ų125.669%0.69478%0.781SS**  cis-158.9-134.7-2.400000112.7
542P47.9Very low32.6Very low110 Ų110129.8 Ų129.871%0.71479%0.786SS**  -126.5168.6-112.440.1-23.2000117.2
543T29.5Very low32.7Very low138 Ų138128.9 Ų128.985%0.84778%0.778SS**  trans149151.9139.744.90000112.8
544P49.4Very low32.6Very low116 Ų116133.4 Ų133.475%0.75379%0.789SS**  trans-99.7167.4-179.443-38.1000112.2
545P47.1Very low32.8Very low122 Ų122133.1 Ų133.179%0.79279%0.787SS**  -150.216384.840.1-22.1000117.4
546S29.8Very low33.6Very low127 Ų127131.9 Ų131.989%0.88879%0.787SS**  trans16.3134.7144.7-161.50000121.5
547G27.4Very low33.8Very low75 Ų75130 Ų13077%0.77378%0.782SS**  trans166.5103.5160.300000116.7
548T30.1Very low34.2Very low133 Ų133132.7 Ų132.782%0.81678%0.777SS**  trans-52.1142.5170.545.10000117.7
549E26Very low34.1Very low184 Ų184131 Ų13186%0.8677%0.773SS**  trans156118131.4-84.8-178.7154.600109.4
550V26.4Very low33.4Very low129 Ų129134.1 Ų134.178%0.78278%0.779SS**  79.495.759179.50000114.2
551T27Very low33.3Very low126 Ų126129.1 Ų129.177%0.77377%0.774SS**  trans163.3133.7142.432.60000108.4
552L31.7Very low33.3Very low160 Ų160128.6 Ų128.684%0.83877%0.769SS**  cis82.3126.544.1-170.9167000111.7
553A32Very low33.2Very low80 Ų80128.9 Ų128.966%0.66177%0.771SS**  cis-174174.7-15.500000108.6
554E30Very low33.1Very low194 Ų194130.6 Ų130.691%0.90777%0.769SS**  trans-149.4147.8148-139.3175.1125.900112.5
555V30.9Very low33Very low112 Ų112129.8 Ų129.868%0.67976%0.764SS**  trans-157.9132.6-163.4162.90000108.8L557V555-L557 HydrophobicContact CG1-CD2 4.49Å; V555-L557 HydrophobicContact CG1-CG 4.43Å
556P47Very low32.5Very low114 Ų114131.9 Ų131.974%0.7477%0.768SS**  -146.8133.8110.928.3-7.1000116.8
557L32.8Very low33.3Very low142 Ų142131.3 Ų131.374%0.74376%0.761SS**  69.2139.891.4-56.5179.7000114.8V555V555-L557 HydrophobicContact CG1-CD2 4.49Å; V555-L557 HydrophobicContact CG1-CG 4.43Å
558L35.5Very low34.4Very low136 Ų136133 Ų13371%0.71276%0.759SS**  cis-156.6176.2-4.9-105.4166000107.1
559D26.3Very low34.4Very low134 Ų134131.9 Ų131.972%0.71776%0.763SS**  cis-159.814538.1-165.639.2000113.4
560E35Very low34.4Very low169 Ų169126.3 Ų126.379%0.7976%0.755SS**  trans-159.1158.6164.2-154-147.7159.300109.3
561V26.4Very low34.6Very low127 Ų127130.2 Ų130.277%0.7777%0.765SS**  trans-135.8113.8177.5177.70000111.4
562A31.2Very low34.6Very low73 Ų73127.8 Ų127.860%0.60377%0.765SS**  trans-90-161.9177.200000112.3
563P45Very low34.4Very low116 Ų116126.7 Ų126.775%0.75377%0.769SS**  -125158.351.211.214.8000114.9
564E28.3Very low34.5Very low173 Ų173127.2 Ų127.281%0.80877%0.773SS**  81.715552.4-129.9-150.2142.900114.1
565P46Very low34.6Very low99 Ų99123.9 Ų123.964%0.64377%0.766SS**  cis-131.8-174.9-13.515.212.1000116.9
566L38.1Very low34.8Very low166 Ų166125.4 Ų125.487%0.86977%0.77SS**  trans-129.5-160.4165.2-63.6177.3000108.4
567P47.1Very low34.4Very low116 Ų116127.2 Ų127.275%0.75377%0.772SS**  cis-129.2-133-5.337.9-12.7000110.3
568P49.8Very low34.3Very low110 Ų110127.5 Ų127.571%0.71478%0.775SS**  cis-137.2158.2-22.135.8-15.2000119.3
569A28.9Very low34.2Very low110 Ų110130.1 Ų130.191%0.90978%0.781SS**  trans35.8138.9140.300000125.5
570G27Very low34.8Very low67 Ų67131.3 Ų131.369%0.69179%0.787SS**  trans167.5119.2152.100000117.2
571E29.3Very low34.8Very low211 Ų211130.9 Ų130.999%0.98679%0.785SS**  trans58.1158.6158.5-59.3174.1135.500118.5
572G27.5Very low35.3Very low75 Ų75132 Ų13277%0.77379%0.786SS**  cis-164.6-175-1.400000111.7
573C28.2Very low36.1Very low136 Ų136133.9 Ų133.992%0.91979%0.792SS**  trans-93.6145.1-170.5-50.80000115.3
574A33.8Very low36Very low91 Ų91137.2 Ų137.275%0.75280%0.797SS**  trans173.3118.713500000116
575T31.8Very low37Very low124 Ų124134.6 Ų134.676%0.76180%0.796SS**  43.1116.4114.8-47.90000122.6
576L36.2Very low37.1Very low144 Ų144135.7 Ų135.775%0.75480%0.803SS**  trans72.1134.2150.6-69.6171.2000121.7
577L37Very low36.8Very low152 Ų152132.7 Ų132.780%0.79680%0.802SS**  trans49.8131145.7-53.3169.9000118
578N31.6Very low36Very low149 Ų149133.5 Ų133.580%0.79781%0.805SS**  cis-162.3175.845.7-162.215.2000112.1
579F32.6Very low35Very low190 Ų190137.6 Ų137.683%0.83381%0.812SS**  trans-79.7137.2163.8-94.2-118.4000111.1
580D39.6Very low35.1Very low159 Ų159136.9 Ų136.985%0.8580%0.799SS**  -177-170.9109.3-150.7-96.1000110.7
581E34.4Very low35.2Very low161 Ų161140.5 Ų140.575%0.75280%0.803SS**  trans94.7114.3153.2-156.1164.3173.100120.9
582L37.2Very low35.9Very low149 Ų149135.9 Ų135.978%0.7879%0.791SS**  trans73.3152.2165.8-100.875.1000120.3
583P49Very low36.4Very low114 Ų114142 Ų14274%0.7480%0.8SS**  cis-130.7163-15.338.8-23.2000115.7
584E42.3Very low36.7Very low185 Ų185144.7 Ų144.786%0.86480%0.798SS**PPolyproline II helixtrans-82.5151.8168.4-64.2-178.5128.300113.1
585P48.6Very low36.6Very low119 Ų119146.8 Ų146.877%0.77380%0.802SS**PPolyproline II helixtrans-84.7151168.634.7-33.7000112.7
586P48.3Very low36.6Very low122 Ų122150.3 Ų150.379%0.79281%0.81SS**PPolyproline II helixtrans-82.1147.2-171.732.6-36.4000114.5
587A31.8Very low36.3Very low103 Ų103147.3 Ų147.385%0.85181%0.813SS**PPolyproline II helixtrans-80.4150.9168.500000112.5
588T31.4Very low35.8Very low132 Ų132148.9 Ų148.981%0.8182%0.816SS**  trans-132.2133.3177480000111.3
589F27.5Very low36.7Very low196 Ų196146 Ų14686%0.8681%0.806SS**  trans-159.8161.7174.4-155.5-103.9000112.3
590C32.7Very low36.5Very low95 Ų95144.8 Ų144.864%0.64281%0.807SS**  trans65.4141.8-171.8-600000114.8
591D27.5Very low36Very low144 Ų144141.9 Ų141.977%0.7781%0.805SS**  cis-158.3157.7-5.6-124.3-4.3000111.4
592P45.4Very low35.8Very low114 Ų114138.7 Ų138.774%0.7481%0.807SS**  trans-113141.2164.436.8-26.3000113.5
593E38.5Very low36.1Very low204 Ų204137 Ų13795%0.95380%0.804SS**  trans-80162.1-179.6-67.5-171.7112.400114.9
594E32.9Very low35.2Very low191 Ų191140.1 Ų140.189%0.89381%0.809SS**  trans-76.4154.6179.8-50.9175.6119.800113.9
595V31.9Very low34.3Very low136 Ų136137.4 Ų137.482%0.82481%0.805SS**  trans-157.5124.1141.6149.50000111.1
596E33Very low34.1Very low198 Ų198136.8 Ų136.893%0.92580%0.801SS**  trans25.3129.8158.7-57-167.116400123.4
597G29.2Very low33Very low80 Ų80137.5 Ų137.583%0.82580%0.804SS**  trans-174.6109.6159.700000114.9
598E27.3Very low33.1Very low185 Ų185140.1 Ų140.186%0.86480%0.802SS**  trans-151.9168.1172.4-119.1-136.2107.800108.5
599P48.5Very low33.8Very low90 Ų90139 Ų13958%0.58480%0.797SS**  cis-135-170.56.137.1-16.3000115.5
600L29.1Very low33.9Very low164 Ų164135 Ų13586%0.85979%0.794SS**  trans82.8136.8164.7-55.4163.5000116.9
601A29.7Very low33.6Very low98 Ų98135 Ų13581%0.8180%0.801SS**  cis-139.5158.76.900000113.8
602A29.8Very low33.7Very low94 Ų94135 Ų13578%0.77780%0.8SS**  trans-89.3-174-175.600000112.5
603P43.4Very low32.9Very low113 Ų113136.5 Ų136.573%0.73480%0.797SS**  cis-134.8-169.5538.5-14.9000113.5
604Q29.6Very low32.4Very low180 Ų180134 Ų13484%0.84179%0.785SS**  cis-146.2167.320.9-57.2177.538.600112.8
605T24Very low32.1Very low127 Ų127131.8 Ų131.878%0.77978%0.779SS**  trans-123.7-178.7165.357.30000107.8
606P45.2Very low31.9Very low107 Ų107132.6 Ų132.670%0.69577%0.774SS**  cis-147.8163.113.344-23.5000120.2
607T25.5Very low31.5Very low137 Ų137130.8 Ų130.884%0.8477%0.765SS**  trans73144.2134.4-640000123.4
608L32.3Very low31.2Very low157 Ų157133.9 Ų133.982%0.82276%0.758SS**  trans-87.1-164176.1-54.2164.6000111.1
609P46.4Very low31.1Very low109 Ų109133.5 Ų133.571%0.70876%0.756SS**  cis-138.9-178.7-8.844.4-26.8000116.7
610S29.4Very low30Very low112 Ų112137.4 Ų137.478%0.78377%0.767SS**  trans67.8128.6144.9-63.50000125
611A26.8Very low30.5Very low95 Ų95134.7 Ų134.779%0.78576%0.759SS**  trans67.4162.514500000119
612L29.3Very low30.6Very low143 Ų143136 Ų13675%0.74975%0.748SS**  cis-158.7-175.2-3.4-136.6164.5000108.8
613E30Very low31.1Very low146 Ų146137.2 Ų137.268%0.68275%0.748SS**  trans67.6144.2162.5-87.2136.39700118.6
614E27.5Very low30.3Very low153 Ų153139.1 Ų139.172%0.71575%0.747SS**  cis-159.3-175-3.3-144.4173.3-168.300112.2
615L26.8Very low30.4Very low143 Ų143137.6 Ų137.675%0.74974%0.744SS**  trans7499.7178.6-62.8157000114.5
616E26.6Very low30.7Very low154 Ų154138.7 Ų138.772%0.7274%0.744SS**  69.1136.263.4-58.1-176135.100112.9
617Q25Very low30Very low160 Ų160138.8 Ų138.875%0.74874%0.743SS**  cis-130.9141.228-67-177.9-97.500112.6
618E23.6Very low30.4Very low144 Ų144140 Ų14067%0.67374%0.744SS**  62.4139.898.4-55-179.1106.200117.1
619Q24.6Very low30.4Very low178 Ų178136.1 Ų136.183%0.83274%0.742SS**  cis-163.3159.3-19.8-167.8168.145.900110
620E25.7Very low29.7Very low172 Ų172140 Ų14080%0.80475%0.751SS**  trans-74.1-177.2169.8-110-163.8132.500113.4
621P39.6Very low30.2Very low107 Ų107139.8 Ų139.870%0.69575%0.745SS**  cis-137-173.1-0.328.9-3.8000116.8
622E31.3Very low30.6Very low125 Ų125140.8 Ų140.858%0.58474%0.741SS**  trans-42.3154155.8-105.5-89.9141.400115.1H624E622-H624 IonicContact OE2-CD2 3.72Å; E622-H624 PolarHBondContact OE2-CD2 2.92Å; E622-H624 IonicContact OE2-CG 2.64Å; E622-H624 PolarHBondContact OE2-N 2.89Å; E622-H624 IonicContact OE2-NE2 2.79Å
623P41.5Very low30.8Very low119 Ų119142.2 Ų142.277%0.77374%0.744SS**  -149.8145.290.638.1-20.2000118.7
624H26.1Very low31.1Very low154 Ų154143.1 Ų143.171%0.71375%0.746SS**  trans-48.3155.2163.2-68-78.5000116.4E622E622-H624 IonicContact OE2-CD2 3.72Å; E622-H624 PolarHBondContact OE2-CD2 2.92Å; E622-H624 IonicContact OE2-CG 2.64Å; E622-H624 PolarHBondContact OE2-N 2.89Å; E622-H624 IonicContact OE2-NE2 2.79Å
625L31.3Very low31.5Very low148 Ų148142.7 Ų142.778%0.77574%0.744SS**  175133.3115.2-94.1171.2000114.8
626L30.1Very low32.3Very low150 Ų150139.2 Ų139.279%0.78574%0.743SS**  trans67.1140.9154-56.3169.1000117.9
627T31.1Very low32.8Very low109 Ų109138.9 Ų138.967%0.66975%0.751SS**  cis-150.7145.916.150.80000114.6
628N32.5Very low33.6Very low162 Ų162139.8 Ų139.887%0.86676%0.755SS**  trans54137136.7-51.9-9.2000123.9
629G32.9Very low34.2Very low75 Ų75137.4 Ų137.477%0.77376%0.76SS**  trans124.483.7167.400000112.9
630E32.2Very low34.9Very low191 Ų191134.6 Ų134.689%0.89376%0.76SS**  57.3119.586.3-131.4-178.397.500112.6
631T38.8Very low35.5Very low108 Ų108135.9 Ų135.966%0.66377%0.766SS**  cis-140.6154.533.550.10000115.3
632T36.8Very low35.3Very low116 Ų116134.1 Ų134.171%0.71277%0.768SS**  trans38.2106.9152.556.40000119.8
633Q33.2Very low35.6Very low172 Ų172138.7 Ų138.780%0.80478%0.781SS**  65.8117.281.8-73.8-171.9-14.900114.3
634K36.4Very low35.3Very low165 Ų165141.8 Ų141.872%0.71778%0.783SS**  71.614578.3-87.6174.3144.9-111.30112.1
635E36.2Very low35.9Very low145 Ų145138.3 Ų138.368%0.67878%0.776SS**  cis-140.7171.114.9-157120.1146.600110.8
636G42.3Very low36.1Very low70 Ų70139.4 Ų139.472%0.72278%0.777SS**  trans-128.4146.1169.800000111.2
637T38Very low36.5Very low146 Ų146136.6 Ų136.690%0.89677%0.77SS**  trans-137.2154.7175.1-54.60000110.2
638Q40.4Very low36.8Very low180 Ų180140.8 Ų140.884%0.84178%0.782SS**  trans-98160.1-167.2-179.4-174.6-2900112.8
639A36.2Very low36.7Very low94 Ų94141 Ų14178%0.77778%0.778SS**  trans65.3129.3159.700000120.5
640S39.5Very low36.8Very low119 Ų119145.9 Ų145.983%0.83278%0.78SS**  -154.7146.2120.762.50000109.8
641E38.9Very low36.9Very low198 Ų198145.8 Ų145.893%0.92578%0.78SS**  trans-77.9165.2175.2-65153.1130.500111.5
642G36.1Very low36.2Very low71 Ų71148 Ų14873%0.73278%0.781SS**  trans-174.378.3-17600000114.5F644G642-F644 PolarHBondContact O-N 3.3Å
643Y36.9Very low36Very low220 Ų220147 Ų14786%0.86378%0.784SS**  trans5.6107.8161.2-78-101.5000117.7
644F35.7Very low35.8Very low185 Ų185146.5 Ų146.581%0.81178%0.782SS**  trans-100.594.3148-173.8-93.4000108G642 Q646G642-F644 PolarHBondContact O-N 3.3Å; F644-Q646 HydrophobicContact CD1-CG 4.31Å; F644-Q646 HydrophobicContact CE1-CG 4.23Å; F644-Q646 PolarHBondContact O-N 2.95Å; F644-Q646 VanDerWaalsContact O-N 3.13Å
645S38.3Very low35.8Very low80 Ų80144.2 Ų144.256%0.55979%0.787SS**  trans-68.9107.6179.9-59.80000110.6S647S645-S647 PolarHBondContact O-N 3.12Å
646Q34.9Very low35.7Very low172 Ų172146.7 Ų146.780%0.80480%0.798SS**  trans-74.285.2156.2-70.8-173.94.200107.9F644 Q648F644-Q646 HydrophobicContact CD1-CG 4.31Å; F644-Q646 HydrophobicContact CE1-CG 4.23Å; F644-Q646 PolarHBondContact O-N 2.95Å; F644-Q646 VanDerWaalsContact O-N 3.13Å; Q646-Q648 VanDerWaalsContact C-N 3.27Å; Q646-Q648 PolarHBondContact O-N 3.46Å
647S38.3Very low35.3Very low91 Ų91152.4 Ų152.464%0.63681%0.806SS**  trans-6793.8160.4-66.60000107.7S645 E649S645-S647 PolarHBondContact O-N 3.12Å; S647-E649 PolarHBondContact O-N 3.32Å
648Q37.8Very low35.2Very low196 Ų196154 Ų15492%0.91681%0.808SS**  trans-76.279.3164.5-178.1171.64600107.3Q646Q646-Q648 VanDerWaalsContact C-N 3.27Å; Q646-Q648 PolarHBondContact O-N 3.46Å
649E31.9Very low34.6Very low168 Ų168151.8 Ų151.879%0.78581%0.811SS**  trans-83.1145.2175.260.9-164.615000111.4S647 E651S647-E649 PolarHBondContact O-N 3.32Å; E649-E651 PolarHBondContact O-N 3.18Å
650E34.4Very low34.6Very low176 Ų176151.6 Ų151.682%0.82281%0.81SS**  trans-68.6117.6-163.2-67.3150.474.500113.1F652E650-F652 PolarHBondContact O-N 3.39Å; E650-F652 VanDerWaalsContact O-N 3.1Å
651E33.4Very low34.6Very low189 Ų189155.7 Ų155.788%0.88381%0.812SS**  trans-7697.1159.2-166.4177.1139.100108.7E649 A653E649-E651 PolarHBondContact O-N 3.18Å; E651-A653 VanDerWaalsContact C-N 3.34Å; E651-A653 PolarHBondContact O-N 3.22Å
652F25.5Very low34.4Very low155 Ų155150.7 Ų150.768%0.6881%0.805SS**  trans-72.184-176.4-166.2-96.6000110.9E650 Q654E650-F652 PolarHBondContact O-N 3.39Å; E650-F652 VanDerWaalsContact O-N 3.1Å; F652-Q654 VanDerWaalsContact C-N 3.34Å; F652-Q654 HydrophobicContact CD1-CG 3.87Å; F652-Q654 HydrophobicContact CE1-CG 3.75Å; F652-Q654 PolarHBondContact O-N 2.9Å
653A31.2Very low34.8Very low94 Ų94152.9 Ų152.978%0.77781%0.806SS**  trans-67.582.7-175.700000113E651 S655E651-A653 VanDerWaalsContact C-N 3.34Å; E651-A653 PolarHBondContact O-N 3.22Å; A653-S655 PolarHBondContact O-N 3.35Å
654Q30.5Very low35Very low163 Ų163147.9 Ų147.976%0.76280%0.801SS**  trans-70.7123.9165.2-81.9-174.8-2100110.7F652F652-Q654 VanDerWaalsContact C-N 3.34Å; F652-Q654 HydrophobicContact CD1-CG 3.87Å; F652-Q654 HydrophobicContact CE1-CG 3.75Å; F652-Q654 PolarHBondContact O-N 2.9Å
655S36Very low35.1Very low117 Ų117144.8 Ų144.882%0.81880%0.799SS**  trans-33.3136.2170.3-46.80000115.6A653A653-S655 PolarHBondContact O-N 3.35Å
656E34.1Very low35.3Very low196 Ų196146.3 Ų146.392%0.91681%0.805SS**  trans-147.8156.8142.1-127.2172.9-139.900113.8
657E33.8Very low35.5Very low190 Ų190147.2 Ų147.289%0.88881%0.806SS**  trans-78.1172.8-145.8-55.3-176110.900118
658L35.2Very low35.9Very low180 Ų180152.3 Ų152.394%0.94281%0.813SS**  trans-69136177-70.1160.4000113
659C29Very low36.3Very low134 Ų134150.3 Ų150.391%0.90581%0.809SS**  trans-131.9160.2162.1-162.20000112.3
660A35.4Very low37.1Very low90 Ų90150.7 Ų150.774%0.74481%0.808SS**  trans-81129.7-151.500000117
661K39.7Very low37.9Very low204 Ų204147.8 Ų147.889%0.88780%0.804SS**  40.785.7129.7-16293.6173.9-168.70117.7
662A34.7Very low38.6Very low94 Ų94144 Ų14478%0.77780%0.796SS**PPolyproline II helixtrans-93.2148163.800000112.9
663P43.8Very low39.7Very low117 Ų117146.1 Ų146.176%0.7681%0.808SS**PPolyproline II helixtrans-80161.5171.633.6-34.9000112.6
664P41.8Very low40.8Very low115 Ų115148.6 Ų148.675%0.74781%0.807SS**PPolyproline II helixtrans-70.7152.6-175.829-35.9000113.9
665P37.5Very low41.3Very low120 Ų120147.4 Ų147.478%0.77981%0.806SS**PPolyproline II helixtrans-75142.3-172.229.9-36000113.9
666V43.4Very low41.8Very low112 Ų112149 Ų14968%0.67980%0.804SS**PPolyproline II helixtrans-97.6123.9174.1177.60000110.1Y668V666-Y668 HydrophobicContact CB-CD2 4.43Å; V666-Y668 HydrophobicContact CB-CE2 4.11Å; V666-Y668 HydrophobicContact CG1-CD2 4.14Å; V666-Y668 HydrophobicContact CG1-CE2 3.87Å; V666-Y668 PolarHBondContact O-N 3.27Å
667F38.1Very low42.5Very low190 Ų190145.2 Ų145.283%0.83379%0.794SS**  trans-74.2102175.1-94.8-93.3000111.9N669F667-N669 PolarHBondContact O-N 3.44Å
668Y46.8Very low43.3Very low198 Ų198141.2 Ų141.278%0.77679%0.786SS**  trans-82106.5172.5-82.4-90.8000111.9V666 K670V666-Y668 HydrophobicContact CB-CD2 4.43Å; V666-Y668 HydrophobicContact CB-CE2 4.11Å; V666-Y668 HydrophobicContact CG1-CD2 4.14Å; V666-Y668 HydrophobicContact CG1-CE2 3.87Å; V666-Y668 PolarHBondContact O-N 3.27Å; Y668-K670 PolarHBondContact O-N 3.27Å
669N46.1Very low43.6Very low154 Ų154144.8 Ų144.882%0.82479%0.787SS**SBendtrans-80.150.8174.1-85.1-75.7000113.1F667F667-N669 PolarHBondContact O-N 3.44Å
670K49.8Very low44.4Very low176 Ų176146.5 Ų146.577%0.76579%0.787SS**SBendtrans176.3142.9159.4-104.5164.7-179.2-174.60110.1Y668Y668-K670 PolarHBondContact O-N 3.27Å
671P50.6Low44.7Very low115 Ų115147 Ų14775%0.74779%0.791SS**PPolyproline II helixtrans-71.9148.4166.132.1-33.9000110.6
672P48Very low44.8Very low111 Ų111144.8 Ų144.872%0.72179%0.789SS**PPolyproline II helixtrans-74.6150.9168.132.4-33.9000111
673E48.8Very low45.5Very low199 Ų199145.7 Ų145.793%0.9379%0.787SS**PPolyproline II helixtrans-76.6132.6165.7-68.8172.8135.500108.7
674I52.8Low45.3Very low146 Ų146146.1 Ų146.175%0.74979%0.787SS**PPolyproline II helixtrans-97.2119.5178.646.1170.1000110
675D41.3Very low45.6Very low138 Ų138145.9 Ų145.974%0.73879%0.786SS**PPolyproline II helixtrans-90.2125.9176.7-154-22.2000109.7
676I48Very low46.1Very low151 Ų151149.4 Ų149.477%0.77479%0.792SS**  trans-114.571.1-165.338.3171.2000111.2
677T48.4Very low46.3Very low115 Ų115153.1 Ų153.171%0.70680%0.802SS**  trans-137.26.3-179.549.50000114.8
678C49.9Very low46.8Very low107 Ų107153.2 Ų153.272%0.72381%0.805SS**  trans-114.322.6-164-560000116.5
679W42.3Very low46.7Very low254 Ų254153 Ų15396%0.96281%0.811SS**  trans-127.572.6179.5-77.686.2000112
680D45.8Very low46.4Very low171 Ų171148.9 Ų148.991%0.91480%0.804SS**  trans-159.985.7163.6-115.9-32000109.4
681A41.3Very low45.6Very low99 Ų99149.6 Ų149.682%0.81881%0.808SS**  trans-163.286.2175.800000110.3
682D41.1Very low45.2Very low158 Ų158152.1 Ų152.185%0.84581%0.81SS**PPolyproline II helixtrans-89.8125.3179.2-154.218.2000109.9V684D682-V684 PolarHBondContact O-N 2.68Å
683P49.6Very low44.7Very low114 Ų114150.6 Ų150.674%0.7481%0.814SS**PPolyproline II helixtrans-80.7117.2-173.530.3-33.3000112.4
684V39.7Very low44.5Very low126 Ų126145.1 Ų145.176%0.76481%0.811SS**PPolyproline II helixtrans-71.3135.9170.5179.20000109.7D682D682-V684 PolarHBondContact O-N 2.68Å
685P49Very low43.9Very low110 Ų110149.7 Ų149.771%0.71484%0.837SS**PPolyproline II helixtrans-73.2128.3170.830.1-33.4000110.6
686E46.3Very low44Very low194 Ų194150.3 Ų150.391%0.90784%0.842SS**PPolyproline II helixtrans-89.3124.2170.1-69.2-173.2140.200110.3
687E49.5Very low43.8Very low190 Ų190150.3 Ų150.389%0.88885%0.846SS**  trans-92.3109.4171.2-63.3174-156.600108.3
688E46.8Very low43.5Very low191 Ų191152.2 Ų152.289%0.89385%0.853SS**  trans-103.292.5174.4-164.5168.2-147.300111.7G690E688-G690 PolarHBondContact O-N 2.7Å
689E45.4Very low43.2Very low195 Ų195154.9 Ų154.991%0.91186%0.861SS**  trans-72.2113.6165-177175.9-144.600109.2
690G40.3Very low43.2Very low66 Ų66148.7 Ų148.768%0.6886%0.855SS**  trans-77.5146.5-171.200000114.9E688E688-G690 PolarHBondContact O-N 2.7Å
691F32.5Very low43Very low191 Ų191147.2 Ų147.284%0.83885%0.851SS**  trans-144.8159.8166.3-151.4-97.4000114.1
692E42.4Very low43.2Very low169 Ų169150.6 Ų150.679%0.7985%0.853SS**  trans-75.7155.6-174.5-58.4170.69100114.6
693G37Very low43.3Very low78 Ų78150.1 Ų150.180%0.80485%0.854SS**  trans-178.7126.8163.700000114.8
694G44.5Very low42.8Very low85 Ų85153.1 Ų153.188%0.87686%0.863SS**  trans-78.5-176165.300000112.7
695D40.3Very low43.1Very low242 Ų242155.5 Ų155.5100%1.29487%0.872SS**  cis-135.4022.3-160.5-84.7000110.8

Retrieved 695 of 695 residues in 765.3 ms (Link to these results)

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