A0A087YAQ5_POEFO Loading...

Glucose-6-phosphate isomerase

In the cytoplasm, catalyzes the conversion of glucose-6-phosphate to fructose-6-phosphate, the second step in glycolysis, and the reverse reaction during gluconeogenesis. Besides it's role as a glycolytic enzyme, also acts as a secreted cytokine: acts as an angiogenic factor (AMF) that stimulates endothelial cell motility. Acts as a neurotrophic factor, neuroleukin, for spinal and sensory neurons. It is secreted by lectin-stimulated T-cells and induces immunoglobulin secretion.

AlphaFold DB , UniProt , Accession A0A087YAQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 553 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
1M67Low93.8Very high140 Ų14059.6 Ų59.669%0.6931%0.309SS*.  0118.60178.8-178.4-80.400105.6Q5 R74 E505M1-Q5 HydrophobicContact CG-CB 3.38Å; M1-Q5 HydrophobicContact SD-CB 4.34Å; M1-R74 PolarHBondContact O-NH1 3.17Å; M1-E505 VanDerWaalsContact O-OE1 3.12Å
2G85.6Confident94.2Very high18 Ų1854.7 Ų54.719%0.18628%0.283CS..  trans-68.9165.9-173.500000112.9T4 Q5 D6 E505G2-T4 VanDerWaalsContact C-N 3.31Å; G2-T4 PolarHBondContact O-N 3.34Å; G2-Q5 WeakPolarHBondContact O-CA 3.11Å; G2-Q5 WeakPolarHBondContact O-CB 3.24Å; G2-Q5 PolarHBondContact O-N 3.17Å; G2-D6 PolarHBondContact O-N 3.2Å; G2-D6 VanDerWaalsContact O-N 3.16Å; G2-E505 VanDerWaalsContact CA-OE2 3.28Å; G2-E505 WeakPolarHBondContact CA-OE2 3.44Å
3L95.8Very high94.6Very high0 Ų054.8 Ų54.80%028%0.282CS..G310 helixtrans-50.2-46.8-177.7178.361.4000113.4Q5 D6 F9 L70 R74 Y372L3-Q5 PolarHBondContact O-N 2.84Å; L3-D6 VanDerWaalsContact O-CB 3.3Å; L3-D6 WeakPolarHBondContact O-CB 3.24Å; L3-D6 PolarHBondContact O-N 2.7Å; L3-D6 VanDerWaalsContact O-N 3.15Å; L3-F9 HydrophobicContact CD1-CB 4.34Å; L3-F9 HydrophobicContact CD1-CD2 3.61Å; L3-F9 HydrophobicContact CD1-CE2 4.28Å; L3-F9 HydrophobicContact CD1-CG 4.2Å; L3-F9 HydrophobicContact CD2-CD2 4.21Å; L3-F9 HydrophobicContact CD2-CE2 4.03Å; L3-F9 HydrophobicContact CG-CD2 3.67Å; L3-F9 HydrophobicContact CG-CE2 3.93Å; L3-F9 HydrophobicContact CG-CG 4.23Å; L3-F9 WeakPolarHBondContact O-CB 3.42Å; L3-F9 WeakPolarHBondContact O-CG 3.26Å; L3-L70 HydrophobicContact CD1-CD1 4.15Å; L3-L70 HydrophobicContact CD1-CD2 4.44Å; L3-R74 HydrophobicContact CD1-CG 4.46Å; L3-Y372 HydrophobicContact CB-CD1 4.23Å; L3-Y372 HydrophobicContact CB-CE1 3.74Å; L3-Y372 HydrophobicContact CB-CE2 4.41Å; L3-Y372 HydrophobicContact CD2-CD2 4.07Å; L3-Y372 HydrophobicContact CD2-CE2 4.1Å; L3-Y372 HydrophobicContact CD2-CG 4.29Å
4T96.8Very high94.8Very high36 Ų3658.8 Ų58.822%0.22130%0.304CS..G310 helixtrans-71.3-12.9-179.847.10000114.3G2 F9 Q10 N371 Y372G2-T4 VanDerWaalsContact C-N 3.31Å; G2-T4 PolarHBondContact O-N 3.34Å; T4-F9 HydrophobicContact CG2-CD1 4.46Å; T4-F9 HydrophobicContact CG2-CE1 3.94Å; T4-F9 HydrophobicContact CG2-CZ 4.4Å; T4-Q10 PolarHBondContact O-NE2 3.38Å; T4-Q10 VanDerWaalsContact O-NE2 3.17Å; T4-N371 WeakPolarHBondContact CG2-OD1 3.36Å; T4-N371 PolarHBondContact OG1-ND2 2.84Å; T4-N371 PolarHBondContact OG1-OD1 3.48Å; T4-Y372 HydrophobicContact CG2-CD1 3.69Å; T4-Y372 HydrophobicContact CG2-CG 4.4Å
5Q96.2Very high95.1Very high114 Ų11456.3 Ų56.353%0.53329%0.289SS..G310 helixtrans-95.5-12.1174.8-63.4173.2-600112.2M1 G2 L3M1-Q5 HydrophobicContact CG-CB 3.38Å; M1-Q5 HydrophobicContact SD-CB 4.34Å; G2-Q5 WeakPolarHBondContact O-CA 3.11Å; G2-Q5 WeakPolarHBondContact O-CB 3.24Å; G2-Q5 PolarHBondContact O-N 3.17Å; L3-Q5 PolarHBondContact O-N 2.84Å
6D97.9Very high95.3Very high8 Ų856 Ų564%0.04328%0.283CS..  trans-63.9124.9177-172.2-44.9000110G2 L3 N8 F9 Q10 L70 S73 R74G2-D6 PolarHBondContact O-N 3.2Å; G2-D6 VanDerWaalsContact O-N 3.16Å; L3-D6 VanDerWaalsContact O-CB 3.3Å; L3-D6 WeakPolarHBondContact O-CB 3.24Å; L3-D6 PolarHBondContact O-N 2.7Å; L3-D6 VanDerWaalsContact O-N 3.15Å; D6-N8 PolarHBondContact O-N 3.49Å; D6-N8 WeakPolarHBondContact OD1-CB 3.35Å; D6-N8 PolarHBondContact OD1-N 2.98Å; D6-F9 HydrophobicContact CB-CB 4.05Å; D6-F9 WeakPolarHBondContact O-CB 3.45Å; D6-F9 PolarHBondContact O-N 2.79Å; D6-Q10 PolarHBondContact O-N 3.49Å; D6-L70 HydrophobicContact CB-CD1 4.3Å; D6-S73 VanDerWaalsContact CG-OG 3.3Å; D6-S73 PolarHBondContact OD1-OG 2.87Å; D6-S73 WeakPolarHBondContact OD2-CB 3.25Å; D6-S73 PolarHBondContact OD2-OG 3.16Å; D6-R74 VanDerWaalsContact OD2-CD 3.25Å; D6-R74 WeakPolarHBondContact OD2-CD 3.32Å
7P98.4Very high95.5Very high79 Ų7958.7 Ų58.751%0.51330%0.304SS..Hα-helixtrans-57.6-32.1179.4-2634.8000114Q10 K11P7-Q10 PolarHBondContact O-N 3.47Å; P7-K11 VanDerWaalsContact O-CB 3.3Å; P7-K11 WeakPolarHBondContact O-CB 3.49Å; P7-K11 PolarHBondContact O-N 3.48Å
8N98.5Very high95.7Very high46 Ų4659.1 Ų59.125%0.24632%0.316CS..Hα-helixtrans-71.1-33.8176.5-68.4-42.7000111.6D6 L12 D69 L70 S73D6-N8 PolarHBondContact O-N 3.49Å; D6-N8 WeakPolarHBondContact OD1-CB 3.35Å; D6-N8 PolarHBondContact OD1-N 2.98Å; N8-L12 WeakPolarHBondContact O-CB 3.12Å; N8-L12 PolarHBondContact O-N 2.73Å; N8-D69 PolarHBondContact ND2-O 2.71Å; N8-L70 HydrophobicContact CB-CB 4.02Å; N8-L70 HydrophobicContact CB-CD1 4.02Å; N8-S73 WeakPolarHBondContact ND2-CB 3.48Å; N8-S73 PolarHBondContact ND2-OG 3.3Å
9F98.6Very high95.8Very high13 Ų1360.4 Ų60.46%0.05732%0.32CS..Hα-helixtrans-68.3-45.3173.9-175.5-86.3000110.7L3 T4 D6 K11 L12 Q13 L70 N328 F329L3-F9 HydrophobicContact CD1-CB 4.34Å; L3-F9 HydrophobicContact CD1-CD2 3.61Å; L3-F9 HydrophobicContact CD1-CE2 4.28Å; L3-F9 HydrophobicContact CD1-CG 4.2Å; L3-F9 HydrophobicContact CD2-CD2 4.21Å; L3-F9 HydrophobicContact CD2-CE2 4.03Å; L3-F9 HydrophobicContact CG-CD2 3.67Å; L3-F9 HydrophobicContact CG-CE2 3.93Å; L3-F9 HydrophobicContact CG-CG 4.23Å; L3-F9 WeakPolarHBondContact O-CB 3.42Å; L3-F9 WeakPolarHBondContact O-CG 3.26Å; T4-F9 HydrophobicContact CG2-CD1 4.46Å; T4-F9 HydrophobicContact CG2-CE1 3.94Å; T4-F9 HydrophobicContact CG2-CZ 4.4Å; D6-F9 HydrophobicContact CB-CB 4.05Å; D6-F9 WeakPolarHBondContact O-CB 3.45Å; D6-F9 PolarHBondContact O-N 2.79Å; F9-K11 PolarHBondContact O-N 3.3Å; F9-L12 PolarHBondContact O-N 3.41Å; F9-Q13 WeakPolarHBondContact O-CB 3.41Å; F9-Q13 PolarHBondContact O-N 2.99Å; F9-L70 HydrophobicContact CB-CD1 3.94Å; F9-L70 HydrophobicContact CB-CD2 4.46Å; F9-L70 HydrophobicContact CD2-CD2 4.06Å; F9-N328 HydrophobicContact CE2-CB 4.02Å; F9-N328 HydrophobicContact CZ-CB 4.23Å; F9-F329 HydrophobicContact CD2-CE2 4.44Å; F9-F329 AromaticContact CD2-CZ 3.77Å; F9-F329 HydrophobicContact CD2-CZ 3.77Å; F9-F329 HydrophobicContact CE1-CE1 4.45Å; F9-F329 HydrophobicContact CE1-CZ 4.46Å; F9-F329 HydrophobicContact CE2-CE1 4.19Å; F9-F329 AromaticContact CE2-CE2 3.95Å; F9-F329 HydrophobicContact CE2-CE2 3.95Å; F9-F329 AromaticContact CE2-CZ 3.47Å; F9-F329 HydrophobicContact CE2-CZ 3.47Å; F9-F329 VanDerWaalsContact CE2-CZ 3.47Å; F9-F329 HydrophobicContact CG-CZ 4.39Å; F9-F329 HydrophobicContact CZ-CE1 4.1Å; F9-F329 AromaticContact CZ-CZ 3.86Å; F9-F329 HydrophobicContact CZ-CZ 3.86Å
10Q98.6Very high95.7Very high93 Ų9357.9 Ų57.944%0.43531%0.309SS..Hα-helixtrans-60.8-44.4176.5-68.6175.7-200111.5T4 D6 P7 L12 Q13 D14T4-Q10 PolarHBondContact O-NE2 3.38Å; T4-Q10 VanDerWaalsContact O-NE2 3.17Å; D6-Q10 PolarHBondContact O-N 3.49Å; P7-Q10 PolarHBondContact O-N 3.47Å; Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 3.25Å; Q10-Q13 WeakPolarHBondContact O-CB 3.46Å; Q10-Q13 PolarHBondContact O-N 2.84Å; Q10-Q13 VanDerWaalsContact O-N 3.1Å; Q10-D14 VanDerWaalsContact O-CG 3.32Å; Q10-D14 PolarHBondContact O-N 2.87Å
11K98.6Very high95.7Very high109 Ų10963.3 Ų63.347%0.47434%0.337SS..Hα-helixtrans-58-43.1174-177.2-178177-175.70112.3P7 F9 Q13 D14 W15 M66P7-K11 VanDerWaalsContact O-CB 3.3Å; P7-K11 WeakPolarHBondContact O-CB 3.49Å; P7-K11 PolarHBondContact O-N 3.48Å; F9-K11 PolarHBondContact O-N 3.3Å; K11-Q13 VanDerWaalsContact C-N 3.33Å; K11-D14 PolarHBondContact O-N 2.86Å; K11-W15 WeakPolarHBondContact O-CB 3.41Å; K11-W15 PolarHBondContact O-N 2.93Å; K11-M66 HydrophobicContact CD-SD 4.3Å; K11-M66 HydrophobicContact CG-SD 4.1Å
12L98.5Very high97Very high0 Ų062.9 Ų62.90%034%0.338CS..Hα-helixtrans-67.1-35.6177.2-171.460000111.6N8 F9 Q10 W15 Y16 M66 L67 L70 W325 F329N8-L12 WeakPolarHBondContact O-CB 3.12Å; N8-L12 PolarHBondContact O-N 2.73Å; F9-L12 PolarHBondContact O-N 3.41Å; Q10-L12 VanDerWaalsContact C-N 3.31Å; Q10-L12 PolarHBondContact O-N 3.25Å; L12-W15 PolarHBondContact O-N 3.23Å; L12-Y16 VanDerWaalsContact O-CB 3.31Å; L12-Y16 WeakPolarHBondContact O-CB 3.49Å; L12-Y16 PolarHBondContact O-N 3.45Å; L12-M66 HydrophobicContact CD1-CB 3.93Å; L12-M66 HydrophobicContact CD1-CE 3.82Å; L12-M66 HydrophobicContact CD1-SD 4.35Å; L12-L67 HydrophobicContact CD2-CD2 3.48Å; L12-L67 VanDerWaalsContact CD2-CD2 3.48Å; L12-L67 HydrophobicContact CD2-CG 4.03Å; L12-L70 HydrophobicContact CD2-CD2 4.47Å; L12-W325 HydrophobicContact CD1-CE3 4.16Å; L12-W325 HydrophobicContact CD1-CH2 4.44Å; L12-W325 HydrophobicContact CD1-CZ3 3.7Å; L12-W325 HydrophobicContact CD2-CE3 4.18Å; L12-W325 HydrophobicContact CD2-CZ3 4.36Å; L12-W325 HydrophobicContact CG-CE3 4.18Å; L12-W325 HydrophobicContact CG-CZ3 3.85Å; L12-F329 HydrophobicContact CB-CE1 3.97Å; L12-F329 HydrophobicContact CB-CZ 3.82Å; L12-F329 HydrophobicContact CD2-CD2 4.31Å; L12-F329 HydrophobicContact CD2-CE1 4.16Å; L12-F329 HydrophobicContact CD2-CE2 3.45Å; L12-F329 VanDerWaalsContact CD2-CE2 3.45Å; L12-F329 HydrophobicContact CD2-CZ 3.37Å; L12-F329 HydrophobicContact CG-CD1 4.44Å; L12-F329 HydrophobicContact CG-CE1 3.79Å; L12-F329 HydrophobicContact CG-CE2 3.97Å; L12-F329 HydrophobicContact CG-CZ 3.52Å
13Q98.6Very high97.6Very high57 Ų5762.7 Ų62.727%0.26633%0.332SS..Hα-helixtrans-67-42.4175.1-176.562.766.100112.2F9 Q10 K11 Y16 T17 F329F9-Q13 WeakPolarHBondContact O-CB 3.41Å; F9-Q13 PolarHBondContact O-N 2.99Å; Q10-Q13 WeakPolarHBondContact O-CB 3.46Å; Q10-Q13 PolarHBondContact O-N 2.84Å; Q10-Q13 VanDerWaalsContact O-N 3.1Å; K11-Q13 VanDerWaalsContact C-N 3.33Å; Q13-Y16 PolarHBondContact O-N 3.22Å; Q13-T17 PolarHBondContact NE2-OG1 3.42Å; Q13-T17 WeakPolarHBondContact O-CB 3.43Å; Q13-T17 PolarHBondContact O-N 2.96Å; Q13-T17 PolarHBondContact O-OG1 3.18Å; Q13-F329 HydrophobicContact CB-CD1 4.47Å; Q13-F329 HydrophobicContact CB-CE1 3.97Å
14D98.6Very high97.7Very high110 Ų11064.8 Ų64.859%0.58834%0.343SS*.Hα-helixtrans-64.2-44.9175.9-68.8-20.8000110.3Q10 K11 Y16 T17 A18Q10-D14 VanDerWaalsContact O-CG 3.32Å; Q10-D14 PolarHBondContact O-N 2.87Å; K11-D14 PolarHBondContact O-N 2.86Å; D14-Y16 PolarHBondContact O-N 3.02Å; D14-T17 PolarHBondContact O-N 2.73Å; D14-A18 WeakPolarHBondContact O-CB 2.94Å; D14-A18 PolarHBondContact O-N 2.73Å
15W98.8Very high97.7Very high22 Ų2263.1 Ų63.18%0.08333%0.333CS..Hα-helixtrans-62-44.6175.8-170.9101.6000111.7K11 L12 A18 H19 L23 E62 V63 M66 W325K11-W15 WeakPolarHBondContact O-CB 3.41Å; K11-W15 PolarHBondContact O-N 2.93Å; L12-W15 PolarHBondContact O-N 3.23Å; W15-A18 PolarHBondContact O-N 2.92Å; W15-H19 AromaticContact CD1-CE1 3.97Å; W15-H19 AromaticContact CD1-ND1 3.58Å; W15-H19 HydrophobicContact CD2-CB 4.13Å; W15-H19 AromaticContact CD2-ND1 3.82Å; W15-H19 AromaticContact CE2-ND1 3.83Å; W15-H19 HydrophobicContact CE3-CB 4.25Å; W15-H19 AromaticContact CG-ND1 3.67Å; W15-H19 HydrophobicContact CH2-CB 4.06Å; W15-H19 HydrophobicContact CZ2-CB 3.94Å; W15-H19 HydrophobicContact CZ3-CB 4.2Å; W15-H19 AromaticContact NE1-ND1 3.69Å; W15-H19 WeakPolarHBondContact O-CB 3.43Å; W15-H19 PolarHBondContact O-N 3.31Å; W15-H19 PolarHBondContact O-ND1 2.91Å; W15-L23 HydrophobicContact CH2-CD1 4.13Å; W15-L23 HydrophobicContact CH2-CD2 3.78Å; W15-L23 HydrophobicContact CH2-CG 4.41Å; W15-L23 HydrophobicContact CZ3-CD1 4.09Å; W15-E62 VanDerWaalsContact NE1-CD 3.26Å; W15-E62 PolarHBondContact NE1-OE2 3.32Å; W15-V63 HydrophobicContact CD2-CG2 4.19Å; W15-V63 HydrophobicContact CE3-CG2 3.79Å; W15-V63 HydrophobicContact CH2-CG2 3.16Å; W15-V63 HydrophobicContact CZ2-CG2 3.59Å; W15-V63 HydrophobicContact CZ3-CG2 3.28Å; W15-M66 HydrophobicContact CB-CE 3.88Å; W15-M66 HydrophobicContact CB-SD 4.19Å; W15-M66 HydrophobicContact CD2-CE 3.83Å; W15-M66 HydrophobicContact CE3-CE 4.47Å; W15-M66 HydrophobicContact CG-CE 3.52Å; W15-M66 HydrophobicContact CG-SD 4.31Å; W15-W325 AromaticContact CE3-CH2 3.97Å; W15-W325 HydrophobicContact CE3-CH2 3.97Å; W15-W325 AromaticContact CZ3-CH2 3.86Å; W15-W325 HydrophobicContact CZ3-CH2 3.86Å; W15-W325 HydrophobicContact CZ3-CZ2 4.05Å
16Y98.6Very high97.7Very high51 Ų5160.8 Ų60.820%0.232%0.319CS..Hα-helixtrans-57.7-51.1176.5171.6-95.5000110.9L12 Q13 D14 A18 H19 A20 W325 F329 F330L12-Y16 VanDerWaalsContact O-CB 3.31Å; L12-Y16 WeakPolarHBondContact O-CB 3.49Å; L12-Y16 PolarHBondContact O-N 3.45Å; Q13-Y16 PolarHBondContact O-N 3.22Å; D14-Y16 PolarHBondContact O-N 3.02Å; Y16-A18 VanDerWaalsContact C-N 3.25Å; Y16-A18 PolarHBondContact O-N 3.15Å; Y16-H19 PolarHBondContact O-N 2.81Å; Y16-A20 HydrophobicContact CD2-CB 3.27Å; Y16-A20 HydrophobicContact CE2-CB 3.39Å; Y16-A20 HydrophobicContact CG-CB 3.9Å; Y16-A20 WeakPolarHBondContact O-CB 3.32Å; Y16-A20 PolarHBondContact O-N 3.32Å; Y16-W325 AromaticContact CD2-CH2 3.6Å; Y16-W325 HydrophobicContact CD2-CH2 3.6Å; Y16-W325 HydrophobicContact CD2-CZ2 4.16Å; Y16-W325 HydrophobicContact CD2-CZ3 4.05Å; Y16-W325 HydrophobicContact CG-CH2 4.22Å; Y16-W325 HydrophobicContact CG-CZ3 4.46Å; Y16-F329 HydrophobicContact CD1-CB 4.34Å; Y16-F329 HydrophobicContact CD2-CB 3.67Å; Y16-F329 WeakPolarHBondContact CE1-O 3.48Å; Y16-F329 HydrophobicContact CE2-CB 3.98Å; Y16-F329 HydrophobicContact CG-CB 3.89Å; Y16-F329 HydrophobicContact CG-CD1 4.3Å; Y16-F329 PolarHBondContact OH-O 2.76Å; Y16-F330 HydrophobicContact CD2-CD2 4.46Å; Y16-F330 HydrophobicContact CD2-CE2 4.19Å; Y16-F330 HydrophobicContact CE2-CD1 4.14Å; Y16-F330 AromaticContact CE2-CD2 3.85Å; Y16-F330 HydrophobicContact CE2-CD2 3.85Å; Y16-F330 HydrophobicContact CE2-CE1 4.1Å; Y16-F330 AromaticContact CE2-CE2 3.78Å; Y16-F330 HydrophobicContact CE2-CE2 3.78Å; Y16-F330 HydrophobicContact CE2-CG 4.04Å; Y16-F330 AromaticContact CE2-CZ 3.92Å; Y16-F330 HydrophobicContact CE2-CZ 3.92Å
17T98.4Very high97.7Very high102 Ų10265.8 Ų65.863%0.62634%0.342SS*.Hα-helixtrans-57.9-39.5179.9-54.30000111.8Q13 D14Q13-T17 PolarHBondContact NE2-OG1 3.42Å; Q13-T17 WeakPolarHBondContact O-CB 3.43Å; Q13-T17 PolarHBondContact O-N 2.96Å; Q13-T17 PolarHBondContact O-OG1 3.18Å; D14-T17 PolarHBondContact O-N 2.73Å
18A98.2Very high97.6Very high65 Ų6563.4 Ų63.454%0.53732%0.324SS..Hα-helixtrans-80.7-31.5-177.600000114.3D14 W15 Y16D14-A18 WeakPolarHBondContact O-CB 2.94Å; D14-A18 PolarHBondContact O-N 2.73Å; W15-A18 PolarHBondContact O-N 2.92Å; Y16-A18 VanDerWaalsContact C-N 3.25Å; Y16-A18 PolarHBondContact O-N 3.15Å
19H98Very high97.6Very high84 Ų8463.6 Ų63.639%0.38932%0.323SS..Hα-helixtrans-127.2-18-165.2-52.697.9000115.6W15 Y16 L21 N22W15-H19 AromaticContact CD1-CE1 3.97Å; W15-H19 AromaticContact CD1-ND1 3.58Å; W15-H19 HydrophobicContact CD2-CB 4.13Å; W15-H19 AromaticContact CD2-ND1 3.82Å; W15-H19 AromaticContact CE2-ND1 3.83Å; W15-H19 HydrophobicContact CE3-CB 4.25Å; W15-H19 AromaticContact CG-ND1 3.67Å; W15-H19 HydrophobicContact CH2-CB 4.06Å; W15-H19 HydrophobicContact CZ2-CB 3.94Å; W15-H19 HydrophobicContact CZ3-CB 4.2Å; W15-H19 AromaticContact NE1-ND1 3.69Å; W15-H19 WeakPolarHBondContact O-CB 3.43Å; W15-H19 PolarHBondContact O-N 3.31Å; W15-H19 PolarHBondContact O-ND1 2.91Å; Y16-H19 PolarHBondContact O-N 2.81Å; H19-L21 VanDerWaalsContact C-N 3.27Å; H19-L21 PolarHBondContact O-N 3.17Å; H19-N22 WeakPolarHBondContact O-CB 3.26Å; H19-N22 PolarHBondContact O-N 3.49Å
20A94.9Very high97.5Very high11 Ų1167.8 Ų67.89%0.09134%0.343CS..G310 helixtrans-61.6-33-168.900000113.9Y16 N22 L23 F330Y16-A20 HydrophobicContact CD2-CB 3.27Å; Y16-A20 HydrophobicContact CE2-CB 3.39Å; Y16-A20 HydrophobicContact CG-CB 3.9Å; Y16-A20 WeakPolarHBondContact O-CB 3.32Å; Y16-A20 PolarHBondContact O-N 3.32Å; A20-N22 PolarHBondContact O-N 3.42Å; A20-L23 HydrophobicContact CB-CD1 4.5Å; A20-L23 WeakPolarHBondContact O-CB 3.25Å; A20-L23 WeakPolarHBondContact O-CG 3.49Å; A20-L23 PolarHBondContact O-N 3.26Å; A20-L23 VanDerWaalsContact O-N 3.11Å; A20-F330 HydrophobicContact CB-CZ 4.32Å
21L94.4Very high97.5Very high172 Ų17267.8 Ų67.890%0.90136%0.359SS*.G310 helixtrans-65.7-21.2177.2-64.3179.5000113.3H19 L23H19-L21 VanDerWaalsContact C-N 3.27Å; H19-L21 PolarHBondContact O-N 3.17Å; L21-L23 VanDerWaalsContact C-N 3.31Å
22N95.6Very high97.5Very high131 Ų13164.4 Ų64.470%0.70135%0.346SS*.G310 helixtrans-86.3-5.2177.7-60.3-36.3000112.4H19 A20 N24H19-N22 WeakPolarHBondContact O-CB 3.26Å; H19-N22 PolarHBondContact O-N 3.49Å; A20-N22 PolarHBondContact O-N 3.42Å; N22-N24 PolarHBondContact O-N 3.43Å
23L97.8Very high97.4Very high14 Ų1472 Ų727%0.07338%0.379CS..  trans-75.3113.9-179-58.3179.2000110.7W15 A20 L21 M28 L58 T60 W325 F330 N470W15-L23 HydrophobicContact CH2-CD1 4.13Å; W15-L23 HydrophobicContact CH2-CD2 3.78Å; W15-L23 HydrophobicContact CH2-CG 4.41Å; W15-L23 HydrophobicContact CZ3-CD1 4.09Å; A20-L23 HydrophobicContact CB-CD1 4.5Å; A20-L23 WeakPolarHBondContact O-CB 3.25Å; A20-L23 WeakPolarHBondContact O-CG 3.49Å; A20-L23 PolarHBondContact O-N 3.26Å; A20-L23 VanDerWaalsContact O-N 3.11Å; L21-L23 VanDerWaalsContact C-N 3.31Å; L23-M28 HydrophobicContact CB-CE 3.63Å; L23-M28 HydrophobicContact CD2-CE 3.21Å; L23-M28 HydrophobicContact CG-CE 3.94Å; L23-L58 HydrophobicContact CB-CD2 3.77Å; L23-L58 HydrophobicContact CD1-CB 4.3Å; L23-T60 HydrophobicContact CD2-CG2 4.25Å; L23-W325 HydrophobicContact CD1-CZ2 4.18Å; L23-F330 HydrophobicContact CD1-CZ 4.4Å; L23-N470 PolarHBondContact O-ND2 3.35Å
24N98.1Very high97.4Very high44 Ų4474 Ų7424%0.23539%0.389CS..  trans-131.6111.4173.3-173.5-71.9000110N22 R26 H27 M28 N470N22-N24 PolarHBondContact O-N 3.43Å; N24-R26 VanDerWaalsContact C-N 3.28Å; N24-R26 PolarHBondContact O-N 2.95Å; N24-R26 VanDerWaalsContact OD1-CB 3.32Å; N24-R26 WeakPolarHBondContact OD1-CB 3.3Å; N24-R26 PolarHBondContact OD1-N 3.32Å; N24-R26 VanDerWaalsContact OD1-N 3.14Å; N24-H27 HydrophobicContact CB-CB 4.28Å; N24-H27 PolarHBondContact O-N 3.02Å; N24-H27 PolarHBondContact OD1-N 2.99Å; N24-H27 VanDerWaalsContact OD1-N 3.1Å; N24-M28 VanDerWaalsContact O-CG 3.27Å; N24-M28 WeakPolarHBondContact O-CG 3.2Å; N24-M28 PolarHBondContact O-N 3.4Å; N24-N470 WeakPolarHBondContact CA-OD1 3.4Å
25V96.7Very high97.4Very high0 Ų069.1 Ų69.10%036%0.362CS..Hα-helixtrans-61.8-37.1-173.8-1760000111.3H27 M28 F29 L58 M436 N470V25-H27 PolarHBondContact O-N 3.36Å; V25-M28 WeakPolarHBondContact O-CB 3.32Å; V25-M28 PolarHBondContact O-N 3.22Å; V25-F29 HydrophobicContact CG1-CD2 3.77Å; V25-F29 HydrophobicContact CG1-CE2 3.63Å; V25-F29 WeakPolarHBondContact O-CD2 3.4Å; V25-F29 PolarHBondContact O-N 3.31Å; V25-F29 VanDerWaalsContact O-N 3.08Å; V25-L58 HydrophobicContact CG2-CD2 3.69Å; V25-L58 HydrophobicContact CG2-CG 4.01Å; V25-M436 HydrophobicContact CB-CG 4.02Å; V25-M436 HydrophobicContact CG1-CG 3.61Å; V25-M436 HydrophobicContact CG1-SD 3.89Å; V25-N470 PolarHBondContact N-OD1 2.9Å
26R95.6Very high97.4Very high65 Ų6572.1 Ų72.125%0.24538%0.376CS..Hα-helixtrans-58.3-51.3176.3179.1-179.8179.8158.7-0.1111N24 M28 F29 E30 K437 E443N24-R26 VanDerWaalsContact C-N 3.28Å; N24-R26 PolarHBondContact O-N 2.95Å; N24-R26 VanDerWaalsContact OD1-CB 3.32Å; N24-R26 WeakPolarHBondContact OD1-CB 3.3Å; N24-R26 PolarHBondContact OD1-N 3.32Å; N24-R26 VanDerWaalsContact OD1-N 3.14Å; R26-M28 VanDerWaalsContact C-N 3.31Å; R26-M28 PolarHBondContact O-N 2.84Å; R26-F29 PolarHBondContact O-N 3.03Å; R26-E30 IonicContact NE-OE1 3.01Å; R26-E30 WeakPolarHBondContact O-CG 3.34Å; R26-E30 PolarHBondContact O-N 3.38Å; R26-E30 VanDerWaalsContact O-N 3.12Å; R26-K437 PolarHBondContact NH1-O 2.88Å; R26-E443 IonicContact NH1-OE1 3.89Å; R26-E443 IonicContact NH1-OE2 3.54Å; R26-E443 IonicContact NH2-OE1 2.66Å; R26-E443 PolarHBondContact NH2-OE1 3.41Å
27H97.3Very high97.4Very high114 Ų11474.2 Ų74.253%0.52839%0.39SS..Hα-helixtrans-64.7-34.3177.5-62.1164.6000112.6N24 V25 F29 E30 A31N24-H27 HydrophobicContact CB-CB 4.28Å; N24-H27 PolarHBondContact O-N 3.02Å; N24-H27 PolarHBondContact OD1-N 2.99Å; N24-H27 VanDerWaalsContact OD1-N 3.1Å; V25-H27 PolarHBondContact O-N 3.36Å; H27-F29 PolarHBondContact O-N 2.8Å; H27-E30 IonicContact CD2-OE2 3.89Å; H27-E30 PolarHBondContact O-N 2.82Å; H27-A31 WeakPolarHBondContact O-CB 3.19Å; H27-A31 PolarHBondContact O-N 3.14Å
28M98Very high97.4Very high28 Ų2873.2 Ų73.214%0.13838%0.377CS..Hα-helixtrans-63.8-39.6177.3-69.7169.7-177.700112.8L23 N24 V25 R26 D32 T60L23-M28 HydrophobicContact CB-CE 3.63Å; L23-M28 HydrophobicContact CD2-CE 3.21Å; L23-M28 HydrophobicContact CG-CE 3.94Å; N24-M28 VanDerWaalsContact O-CG 3.27Å; N24-M28 WeakPolarHBondContact O-CG 3.2Å; N24-M28 PolarHBondContact O-N 3.4Å; V25-M28 WeakPolarHBondContact O-CB 3.32Å; V25-M28 PolarHBondContact O-N 3.22Å; R26-M28 VanDerWaalsContact C-N 3.31Å; R26-M28 PolarHBondContact O-N 2.84Å; M28-D32 PolarHBondContact O-N 2.88Å; M28-T60 HydrophobicContact CE-CG2 4.37Å
29F98.4Very high97.4Very high51 Ų5170.5 Ų70.522%0.22435%0.354CS..Hα-helixtrans-71.1-32.1172.8-85.8-84.6000112.7V25 R26 H27 R35 S55 K56 M436V25-F29 HydrophobicContact CG1-CD2 3.77Å; V25-F29 HydrophobicContact CG1-CE2 3.63Å; V25-F29 WeakPolarHBondContact O-CD2 3.4Å; V25-F29 PolarHBondContact O-N 3.31Å; V25-F29 VanDerWaalsContact O-N 3.08Å; R26-F29 PolarHBondContact O-N 3.03Å; H27-F29 PolarHBondContact O-N 2.8Å; F29-R35 HydrophobicContact CD1-CB 4.09Å; F29-R35 HydrophobicContact CD1-CG 4.41Å; F29-R35 HydrophobicContact CE1-CB 4.17Å; F29-R35 HydrophobicContact CE1-CG 4.26Å; F29-R35 HydrophobicContact CZ-CG 4.42Å; F29-S55 WeakPolarHBondContact CE2-O 3.34Å; F29-S55 VanDerWaalsContact CZ-OG 3.27Å; F29-S55 WeakPolarHBondContact CZ-OG 3.39Å; F29-K56 HydrophobicContact CE2-CG 4.06Å; F29-K56 HydrophobicContact CZ-CG 4.03Å; F29-M436 HydrophobicContact CD2-SD 3.49Å; F29-M436 WeakPolarHBondContact CD2-SD 3.33Å; F29-M436 HydrophobicContact CE2-SD 3.49Å; F29-M436 WeakPolarHBondContact CE2-SD 3.25Å; F29-M436 HydrophobicContact CG-SD 4.35Å; F29-M436 HydrophobicContact CZ-SD 4.33Å
30E96.9Very high97.5Very high100 Ų10067.3 Ų67.347%0.46734%0.341SS..Hα-helixtrans-65.5-43.2175.4-74169.2-175.300111R26 H27 K33R26-E30 IonicContact NE-OE1 3.01Å; R26-E30 WeakPolarHBondContact O-CG 3.34Å; R26-E30 PolarHBondContact O-N 3.38Å; R26-E30 VanDerWaalsContact O-N 3.12Å; H27-E30 IonicContact CD2-OE2 3.89Å; H27-E30 PolarHBondContact O-N 2.82Å; E30-K33 WeakPolarHBondContact O-CE 3.12Å; E30-K33 PolarHBondContact O-NZ 2.98Å
31A97.6Very high97.7Very high94 Ų9468 Ų6878%0.77734%0.342SS*.Hα-helixtrans-76-30.6-178.900000114.5H27H27-A31 WeakPolarHBondContact O-CB 3.19Å; H27-A31 PolarHBondContact O-N 3.14Å
32D97.9Very high97.9Very high37 Ų3763.1 Ų63.120%0.19832%0.32CS..  trans-125.2101.9179.9-174.31.1000111.5M28 E34 R35 K38M28-D32 PolarHBondContact O-N 2.88Å; D32-E34 PolarHBondContact O-N 2.74Å; D32-E34 PolarHBondContact OD1-N 2.87Å; D32-R35 HydrophobicContact CB-CB 4.22Å; D32-R35 VanDerWaalsContact O-CB 3.28Å; D32-R35 WeakPolarHBondContact O-CB 3.43Å; D32-R35 PolarHBondContact O-N 3.06Å; D32-R35 PolarHBondContact OD1-N 2.6Å; D32-K38 IonicContact OD1-NZ 3.28Å; D32-K38 WeakPolarHBondContact OD2-CD 3.45Å; D32-K38 WeakPolarHBondContact OD2-CE 3.48Å; D32-K38 IonicContact OD2-NZ 2.73Å; D32-K38 PolarHBondContact OD2-NZ 3.22Å
33K97.6Very high98Very high159 Ų15957.1 Ų57.169%0.69129%0.288SS*.THydrogen-bonded Turntrans-68.4-19.5178.5-58-52.8-178.5-155.50113.3E30E30-K33 WeakPolarHBondContact O-CE 3.12Å; E30-K33 PolarHBondContact O-NZ 2.98Å
34E98.2Very high98Very high100 Ų10061.9 Ų61.947%0.46731%0.313SS..THydrogen-bonded Turntrans-94.86.2178.8-64.4-57.612600112.6D32 F36 N37 K38D32-E34 PolarHBondContact O-N 2.74Å; D32-E34 PolarHBondContact OD1-N 2.87Å; E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.46Å; E34-N37 WeakPolarHBondContact O-CB 3.48Å; E34-N37 PolarHBondContact O-N 2.66Å; E34-N37 PolarHBondContact OE2-ND2 2.94Å; E34-K38 WeakPolarHBondContact O-CG 3.41Å; E34-K38 PolarHBondContact O-N 2.83Å
35R98.6Very high98Very high8 Ų860.5 Ų60.53%0.0331%0.306CS..Hα-helixtrans-53.1-43.8-175.3-171.4-179.8176.877.10.1112.8F29 D32 N37 K38 F39 S55 N57 I59F29-R35 HydrophobicContact CD1-CB 4.09Å; F29-R35 HydrophobicContact CD1-CG 4.41Å; F29-R35 HydrophobicContact CE1-CB 4.17Å; F29-R35 HydrophobicContact CE1-CG 4.26Å; F29-R35 HydrophobicContact CZ-CG 4.42Å; D32-R35 HydrophobicContact CB-CB 4.22Å; D32-R35 VanDerWaalsContact O-CB 3.28Å; D32-R35 WeakPolarHBondContact O-CB 3.43Å; D32-R35 PolarHBondContact O-N 3.06Å; D32-R35 PolarHBondContact OD1-N 2.6Å; R35-N37 PolarHBondContact O-N 3.38Å; R35-K38 PolarHBondContact O-N 3.26Å; R35-F39 HydrophobicContact CG-CD2 3.59Å; R35-F39 HydrophobicContact CG-CE2 4.04Å; R35-F39 WeakPolarHBondContact O-CB 3.47Å; R35-F39 VanDerWaalsContact O-CD2 3.26Å; R35-F39 WeakPolarHBondContact O-CD2 3.47Å; R35-F39 PolarHBondContact O-N 3.34Å; R35-S55 PolarHBondContact NE-O 2.98Å; R35-S55 PolarHBondContact NH2-O 3.37Å; R35-N57 PolarHBondContact NH2-O 3.44Å; R35-I59 PolarHBondContact NH1-O 3.29Å; R35-I59 PolarHBondContact NH2-O 3.28Å
36F98.8Very high97.8Very high84 Ų8468.3 Ų68.337%0.36834%0.343SS..Hα-helixtrans-58.5-48.1176.1171.7-97.4000111.5E34 K38 F39 S40 L51 D53E34-F36 VanDerWaalsContact C-N 3.29Å; E34-F36 PolarHBondContact O-N 3.46Å; F36-K38 VanDerWaalsContact C-N 3.29Å; F36-K38 PolarHBondContact O-N 2.96Å; F36-F39 CarbonylContact O-C 3.51Å; F36-F39 PolarHBondContact O-N 2.85Å; F36-S40 WeakPolarHBondContact O-CB 3.4Å; F36-S40 PolarHBondContact O-N 3.21Å; F36-S40 VanDerWaalsContact O-N 3.1Å; F36-S40 PolarHBondContact O-OG 3.06Å; F36-L51 HydrophobicContact CE2-CD2 4.3Å; F36-L51 HydrophobicContact CZ-CD1 4.15Å; F36-L51 HydrophobicContact CZ-CD2 4.02Å; F36-D53 HydrophobicContact CE2-CB 3.99Å
37N98.4Very high97.7Very high96 Ų9668.2 Ų68.251%0.51335%0.347SS..Hα-helixtrans-64.6-34-178.8-67.6-27.3000112.3E34 R35E34-N37 WeakPolarHBondContact O-CB 3.48Å; E34-N37 PolarHBondContact O-N 2.66Å; E34-N37 PolarHBondContact OE2-ND2 2.94Å; R35-N37 PolarHBondContact O-N 3.38Å
38K98.5Very high97.6Very high81 Ų8163.2 Ų63.235%0.35233%0.327SS..Hα-helixtrans-76.4-35.9177.9-66.8176.7-179.8-179.30113.6D32 E34 R35 F36 E61D32-K38 IonicContact OD1-NZ 3.28Å; D32-K38 WeakPolarHBondContact OD2-CD 3.45Å; D32-K38 WeakPolarHBondContact OD2-CE 3.48Å; D32-K38 IonicContact OD2-NZ 2.73Å; D32-K38 PolarHBondContact OD2-NZ 3.22Å; E34-K38 WeakPolarHBondContact O-CG 3.41Å; E34-K38 PolarHBondContact O-N 2.83Å; R35-K38 PolarHBondContact O-N 3.26Å; F36-K38 VanDerWaalsContact C-N 3.29Å; F36-K38 PolarHBondContact O-N 2.96Å; K38-E61 WeakPolarHBondContact CD-OE1 3.4Å; K38-E61 WeakPolarHBondContact CE-OE1 3.45Å; K38-E61 IonicContact NZ-OE1 3.47Å; K38-E61 PolarHBondContact NZ-OE1 3.08Å
39F98.8Very high97.6Very high8 Ų865.9 Ų65.94%0.03534%0.342CS..THydrogen-bonded Turntrans-115.341-174.2-58.1-77.3000112R35 F36 Y54 S55 I59 E61 M64R35-F39 HydrophobicContact CG-CD2 3.59Å; R35-F39 HydrophobicContact CG-CE2 4.04Å; R35-F39 WeakPolarHBondContact O-CB 3.47Å; R35-F39 VanDerWaalsContact O-CD2 3.26Å; R35-F39 WeakPolarHBondContact O-CD2 3.47Å; R35-F39 PolarHBondContact O-N 3.34Å; F36-F39 CarbonylContact O-C 3.51Å; F36-F39 PolarHBondContact O-N 2.85Å; F39-Y54 HydrophobicContact CB-CD2 4.05Å; F39-Y54 HydrophobicContact CB-CE2 3.85Å; F39-Y54 HydrophobicContact CD1-CD2 4.39Å; F39-Y54 AromaticContact CD1-CE2 3.76Å; F39-Y54 HydrophobicContact CD1-CE2 3.76Å; F39-Y54 HydrophobicContact CG-CE2 4.31Å; F39-Y54 CarbonylContact O-C 3.57Å; F39-Y54 WeakPolarHBondContact O-CD1 3.34Å; F39-Y54 WeakPolarHBondContact O-CE1 3.41Å; F39-Y54 PolarHBondContact O-N 3.41Å; F39-S55 PolarHBondContact O-N 3.43Å; F39-I59 HydrophobicContact CD1-CD1 3.55Å; F39-I59 HydrophobicContact CD1-CG1 4.42Å; F39-I59 HydrophobicContact CE1-CD1 3.91Å; F39-I59 HydrophobicContact CE1-CG1 4.47Å; F39-I59 HydrophobicContact CG-CD1 4.26Å; F39-E61 HydrophobicContact CE1-CG 4.36Å; F39-E61 HydrophobicContact CE2-CG 4.32Å; F39-E61 HydrophobicContact CZ-CB 4.4Å; F39-E61 HydrophobicContact CZ-CG 3.6Å; F39-M64 HydrophobicContact CD1-CG 4.16Å; F39-M64 HydrophobicContact CE1-CG 3.79Å
40S98.9Very high97.6Very high17 Ų1763.5 Ų63.512%0.11933%0.331CS..EExtended strand (participates in β ladder)trans-139.3160.6167.164.30000110.7F36 L52F36-S40 WeakPolarHBondContact O-CB 3.4Å; F36-S40 PolarHBondContact O-N 3.21Å; F36-S40 VanDerWaalsContact O-N 3.1Å; F36-S40 PolarHBondContact O-OG 3.06Å; S40-L52 CarbonylContact C-O 3.55Å; S40-L52 WeakPolarHBondContact CA-O 3.3Å
41L98.8Very high97.7Very high24 Ų2460.3 Ų60.313%0.12632%0.317CS..EExtended strand (participates in β ladder)trans-138121.1176.7-177.965.3000109.2L43 L52 K313 A315 L318L41-L43 HydrophobicContact CD2-CD2 3.67Å; L41-L43 HydrophobicContact CG-CD2 3.77Å; L41-L43 HydrophobicContact CG-CG 4.44Å; L41-L52 PolarHBondContact N-O 3.12Å; L41-L52 PolarHBondContact O-N 3.29Å; L41-K313 WeakPolarHBondContact CD2-O 3.48Å; L41-A315 HydrophobicContact CD2-CB 3.97Å; L41-L318 HydrophobicContact CD2-CD1 4.4Å
42T98.8Very high97.8Very high70 Ų7055.9 Ų55.943%0.42928%0.281SS..EExtended strand (participates in β ladder)trans-96.4118.7170.8-54.50000109.4D49T42-D49 HydrophobicContact CG2-CB 4Å
43L98.7Very high97.8Very high6 Ų654.6 Ų54.63%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-96.5107.5176.7-59.8-176.8000109L41 T45 D49 I50 W301 M302 H305 A315L41-L43 HydrophobicContact CD2-CD2 3.67Å; L41-L43 HydrophobicContact CG-CD2 3.77Å; L41-L43 HydrophobicContact CG-CG 4.44Å; L43-T45 PolarHBondContact O-N 3.34Å; L43-D49 WeakPolarHBondContact O-CA 3.47Å; L43-I50 HydrophobicContact CB-CB 4.15Å; L43-I50 WeakPolarHBondContact CB-O 3.42Å; L43-I50 HydrophobicContact CD1-CB 4.48Å; L43-I50 PolarHBondContact N-O 3.23Å; L43-I50 PolarHBondContact O-N 3.36Å; L43-W301 HydrophobicContact CB-CH2 3.66Å; L43-W301 HydrophobicContact CB-CZ3 4.23Å; L43-W301 HydrophobicContact CD1-CH2 4.22Å; L43-W301 HydrophobicContact CD1-CZ3 4.12Å; L43-W301 HydrophobicContact CD2-CH2 4.2Å; L43-W301 HydrophobicContact CG-CH2 4.24Å; L43-M302 HydrophobicContact CD1-CE 3.85Å; L43-H305 WeakPolarHBondContact CD2-CE1 3.42Å; L43-H305 WeakPolarHBondContact CD2-NE2 3.48Å; L43-A315 HydrophobicContact CD1-CB 3.85Å; L43-A315 HydrophobicContact CD2-CB 4.48Å
44N97.9Very high97.9Very high113 Ų11347.4 Ų47.460%0.60424%0.242SC*.EExtended strand (participates in β ladder)trans-84.2103.2178.8-55.6-43.7000109.2D49 W301N44-D49 PolarHBondContact OD1-OD1 3.45Å; N44-W301 WeakPolarHBondContact O-CZ2 3.31Å
45T96.9Very high97.9Very high15 Ų1542.7 Ų42.79%0.09222%0.22CC..EExtended strand (participates in β ladder)trans-101.9165.2177.690.30000111.1L43 D47 G48 I50 W301 Y484L43-T45 PolarHBondContact O-N 3.34Å; T45-D47 PolarHBondContact O-N 2.85Å; T45-D47 PolarHBondContact OG1-N 3.32Å; T45-G48 WeakPolarHBondContact CB-O 3.31Å; T45-G48 PolarHBondContact N-O 3.39Å; T45-G48 PolarHBondContact O-N 3.49Å; T45-G48 PolarHBondContact OG1-N 3.07Å; T45-G48 PolarHBondContact OG1-O 3.03Å; T45-I50 HydrophobicContact CG2-CD1 4.1Å; T45-I50 HydrophobicContact CG2-CG1 4.25Å; T45-W301 HydrophobicContact CG2-CD2 3.87Å; T45-W301 HydrophobicContact CG2-CE3 3.87Å; T45-W301 HydrophobicContact CG2-CH2 3.91Å; T45-W301 HydrophobicContact CG2-CZ2 3.79Å; T45-W301 HydrophobicContact CG2-CZ3 3.91Å; T45-Y484 HydrophobicContact CG2-CE1 4.47Å; T45-Y484 WeakPolarHBondContact OG1-CE1 3.4Å
46E92.5Very high97.9Very high165 Ų16543.7 Ų43.777%0.77123%0.225SC*.THydrogen-bonded Turntrans-62.4-25.4177.8-64.8175.4-165.300113.1
47D93.7Very high98Very high62 Ų6239.8 Ų39.833%0.33221%0.208SC..THydrogen-bonded Turntrans-103.67.9-177.9-150.927.4000113.1T45 T482 Y484T45-D47 PolarHBondContact O-N 2.85Å; T45-D47 PolarHBondContact OG1-N 3.32Å; D47-T482 WeakPolarHBondContact OD2-CB 3.37Å; D47-T482 VanDerWaalsContact OD2-CG2 3.28Å; D47-T482 WeakPolarHBondContact OD2-CG2 3.26Å; D47-T482 PolarHBondContact OD2-OG1 3.14Å; D47-Y484 HydrophobicContact CB-CD1 3.62Å; D47-Y484 HydrophobicContact CB-CE1 4.21Å; D47-Y484 HydrophobicContact CB-CG 3.88Å
48G95.9Very high98Very high10 Ų1035.4 Ų35.410%0.10319%0.185CC..EExtended strand (participates in β ladder)trans120.7170.9177.600000114.1T45T45-G48 WeakPolarHBondContact CB-O 3.31Å; T45-G48 PolarHBondContact N-O 3.39Å; T45-G48 PolarHBondContact O-N 3.49Å; T45-G48 PolarHBondContact OG1-N 3.07Å; T45-G48 PolarHBondContact OG1-O 3.03Å
49D97.9Very high98Very high83 Ų8331.6 Ų31.644%0.44417%0.168SC..EExtended strand (participates in β ladder)trans-77.3145.7-171.2-54.1-14.5000111.9T42 L43 N44 F478 K479T42-D49 HydrophobicContact CG2-CB 4Å; L43-D49 WeakPolarHBondContact O-CA 3.47Å; N44-D49 PolarHBondContact OD1-OD1 3.45Å; D49-F478 WeakPolarHBondContact O-CA 3.36Å; D49-K479 PolarHBondContact O-N 3.04Å; D49-K479 VanDerWaalsContact O-N 3.08Å
50I98.9Very high98Very high1 Ų133 Ų331%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-117.1113.4165.9-53.2173.9000107.3L43 T45 I476 I477 F478 T485 A488 L489L43-I50 HydrophobicContact CB-CB 4.15Å; L43-I50 WeakPolarHBondContact CB-O 3.42Å; L43-I50 HydrophobicContact CD1-CB 4.48Å; L43-I50 PolarHBondContact N-O 3.23Å; L43-I50 PolarHBondContact O-N 3.36Å; T45-I50 HydrophobicContact CG2-CD1 4.1Å; T45-I50 HydrophobicContact CG2-CG1 4.25Å; I50-I476 HydrophobicContact CG2-CG2 4.18Å; I50-I477 CarbonylContact C-O 3.59Å; I50-F478 HydrophobicContact CB-CB 4.49Å; I50-F478 HydrophobicContact CG1-CB 4.03Å; I50-F478 HydrophobicContact CG2-CB 4.41Å; I50-T485 HydrophobicContact CD1-CG2 4.49Å; I50-A488 HydrophobicContact CD1-CB 3.96Å; I50-L489 HydrophobicContact CG2-CD2 4.3Å
51L98.9Very high97.9Very high34 Ų3437.6 Ų37.618%0.17820%0.197CC..EExtended strand (participates in β ladder)trans-90.6122.3172.5173.964.3000109.4F36 I476 I477F36-L51 HydrophobicContact CE2-CD2 4.3Å; F36-L51 HydrophobicContact CZ-CD1 4.15Å; F36-L51 HydrophobicContact CZ-CD2 4.02Å; L51-I476 CarbonylContact O-C 3.42Å; L51-I476 VanDerWaalsContact O-CA 3.31Å; L51-I476 WeakPolarHBondContact O-CA 3.43Å; L51-I477 HydrophobicContact CB-CB 4.38Å; L51-I477 HydrophobicContact CD2-CD1 4.37Å; L51-I477 PolarHBondContact N-O 3.22Å; L51-I477 PolarHBondContact O-N 3.4Å
52L98.9Very high97.9Very high1 Ų141.5 Ų41.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-100.8101.9162.317260.6000108.4S40 L41 Y54 A315 L319 I476S40-L52 CarbonylContact C-O 3.55Å; S40-L52 WeakPolarHBondContact CA-O 3.3Å; L41-L52 PolarHBondContact N-O 3.12Å; L41-L52 PolarHBondContact O-N 3.29Å; L52-Y54 HydrophobicContact CD2-CD1 4.46Å; L52-Y54 HydrophobicContact CG-CD1 4.14Å; L52-A315 HydrophobicContact CD2-CB 3.91Å; L52-L319 HydrophobicContact CD1-CD2 3.72Å; L52-L319 HydrophobicContact CD1-CG 4.23Å; L52-L319 HydrophobicContact CD2-CD1 4.48Å; L52-L319 HydrophobicContact CD2-CD2 4.35Å; L52-L319 HydrophobicContact CD2-CG 4.01Å; L52-I476 HydrophobicContact CD1-CD1 4.46Å; L52-I476 HydrophobicContact CD1-CG1 3.9Å
53D98.9Very high97.9Very high10 Ų1038.1 Ų38.15%0.05319%0.194CC..EExtended strand (participates in β ladder)trans-92.3111.1168.2171.824000109.4F36 S55 K56 N474 S475F36-D53 HydrophobicContact CE2-CB 3.99Å; D53-S55 WeakPolarHBondContact OD1-CB 3.38Å; D53-S55 PolarHBondContact OD1-N 3.41Å; D53-S55 PolarHBondContact OD1-OG 3.37Å; D53-K56 IonicContact OD2-NZ 3.91Å; D53-K56 PolarHBondContact OD2-NZ 2.7Å; D53-N474 WeakPolarHBondContact O-CA 3.34Å; D53-S475 PolarHBondContact N-O 2.67Å; D53-S475 PolarHBondContact O-N 2.95Å
54Y98.9Very high97.9Very high7 Ų738.6 Ų38.63%0.02720%0.196CC..  trans-114.317.9175.563.2-81.3000111.9F39 L52 K56 N57 I59 M64 L318 L322 N474F39-Y54 HydrophobicContact CB-CD2 4.05Å; F39-Y54 HydrophobicContact CB-CE2 3.85Å; F39-Y54 HydrophobicContact CD1-CD2 4.39Å; F39-Y54 AromaticContact CD1-CE2 3.76Å; F39-Y54 HydrophobicContact CD1-CE2 3.76Å; F39-Y54 HydrophobicContact CG-CE2 4.31Å; F39-Y54 CarbonylContact O-C 3.57Å; F39-Y54 WeakPolarHBondContact O-CD1 3.34Å; F39-Y54 WeakPolarHBondContact O-CE1 3.41Å; F39-Y54 PolarHBondContact O-N 3.41Å; L52-Y54 HydrophobicContact CD2-CD1 4.46Å; L52-Y54 HydrophobicContact CG-CD1 4.14Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 2.8Å; Y54-N57 WeakPolarHBondContact CA-ND2 3.34Å; Y54-N57 WeakPolarHBondContact O-CB 3.35Å; Y54-N57 PolarHBondContact O-N 3.06Å; Y54-N57 PolarHBondContact O-ND2 2.83Å; Y54-I59 HydrophobicContact CD2-CD1 3.81Å; Y54-I59 HydrophobicContact CE2-CD1 4.1Å; Y54-M64 HydrophobicContact CE2-CE 4.2Å; Y54-M64 HydrophobicContact CE2-SD 4.44Å; Y54-L318 HydrophobicContact CE1-CD1 3.91Å; Y54-L322 HydrophobicContact CD2-CD1 4.23Å; Y54-L322 HydrophobicContact CG-CD1 4.23Å; Y54-N474 WeakPolarHBondContact CB-OD1 3.44Å
55S98.9Very high98Very high1 Ų140 Ų401%0.00720%0.197CC..THydrogen-bonded Turntrans-73.1-21.7-176.166.10000113.7F29 R35 F39 D53 N57F29-S55 WeakPolarHBondContact CE2-O 3.34Å; F29-S55 VanDerWaalsContact CZ-OG 3.27Å; F29-S55 WeakPolarHBondContact CZ-OG 3.39Å; R35-S55 PolarHBondContact NE-O 2.98Å; R35-S55 PolarHBondContact NH2-O 3.37Å; F39-S55 PolarHBondContact O-N 3.43Å; D53-S55 WeakPolarHBondContact OD1-CB 3.38Å; D53-S55 PolarHBondContact OD1-N 3.41Å; D53-S55 PolarHBondContact OD1-OG 3.37Å; S55-N57 PolarHBondContact O-N 3.05Å
56K98.9Very high98.1Very high30 Ų3039.6 Ų39.613%0.1319%0.194CC..THydrogen-bonded Turntrans-8419175.9-57.2-172.6-167.6740113.8F29 D53 Y54 M436 P472 T473F29-K56 HydrophobicContact CE2-CG 4.06Å; F29-K56 HydrophobicContact CZ-CG 4.03Å; D53-K56 IonicContact OD2-NZ 3.91Å; D53-K56 PolarHBondContact OD2-NZ 2.7Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 2.8Å; K56-M436 HydrophobicContact CD-CB 4.45Å; K56-M436 HydrophobicContact CD-SD 4.31Å; K56-M436 HydrophobicContact CG-SD 4.15Å; K56-P472 WeakPolarHBondContact O-CA 3.38Å; K56-T473 PolarHBondContact O-N 2.71Å
57N98.9Very high98.4Very high2 Ų231.8 Ų31.81%0.01116%0.157CC..SBendtrans-93.4155.7172.6-71-78.3000111.9R35 Y54 S55 I59 L322 Y326 T473 N474R35-N57 PolarHBondContact NH2-O 3.44Å; Y54-N57 WeakPolarHBondContact CA-ND2 3.34Å; Y54-N57 WeakPolarHBondContact O-CB 3.35Å; Y54-N57 PolarHBondContact O-N 3.06Å; Y54-N57 PolarHBondContact O-ND2 2.83Å; S55-N57 PolarHBondContact O-N 3.05Å; N57-I59 HydrophobicContact CB-CD1 4.27Å; N57-I59 HydrophobicContact CB-CG1 3.94Å; N57-I59 HydrophobicContact CB-CG2 4.31Å; N57-I59 PolarHBondContact O-N 3.01Å; N57-L322 HydrophobicContact CB-CD2 3.89Å; N57-Y326 WeakPolarHBondContact CA-OH 3.22Å; N57-Y326 VanDerWaalsContact CB-OH 3.28Å; N57-Y326 WeakPolarHBondContact CB-OH 3.28Å; N57-Y326 VanDerWaalsContact OD1-CE2 3.28Å; N57-Y326 WeakPolarHBondContact OD1-CE2 3.49Å; N57-Y326 PolarHBondContact OD1-OH 2.7Å; N57-Y326 VanDerWaalsContact OD1-OH 3.08Å; N57-T473 PolarHBondContact ND2-O 2.8Å; N57-N474 PolarHBondContact ND2-OD1 2.85Å
58L98.8Very high98.6Very high4 Ų429.3 Ų29.32%0.02114%0.144CC..SBendtrans-74.464.4175.1-70.4162.6000110.7L23 V25 W325 Y326 F330 M400 N470 P472L23-L58 HydrophobicContact CB-CD2 3.77Å; L23-L58 HydrophobicContact CD1-CB 4.3Å; V25-L58 HydrophobicContact CG2-CD2 3.69Å; V25-L58 HydrophobicContact CG2-CG 4.01Å; L58-W325 PolarHBondContact O-NE1 2.98Å; L58-Y326 HydrophobicContact CB-CE1 4.38Å; L58-Y326 HydrophobicContact CD1-CE1 4.32Å; L58-Y326 PolarHBondContact N-OH 3.47Å; L58-F330 HydrophobicContact CB-CZ 4.23Å; L58-F330 HydrophobicContact CD1-CE1 3.99Å; L58-F330 HydrophobicContact CD1-CZ 3.95Å; L58-M400 HydrophobicContact CD1-CE 3.93Å; L58-M400 HydrophobicContact CD1-SD 4.48Å; L58-N470 WeakPolarHBondContact CD2-OD1 3.08Å; L58-P472 HydrophobicContact CD1-CG 4.46Å
59I98.6Very high98.7Very high0 Ų031 Ų310%015%0.151CC..  trans-137.3156-174.957.7163.6000111.9R35 F39 Y54 N57 V63 M64 L322R35-I59 PolarHBondContact NH1-O 3.29Å; R35-I59 PolarHBondContact NH2-O 3.28Å; F39-I59 HydrophobicContact CD1-CD1 3.55Å; F39-I59 HydrophobicContact CD1-CG1 4.42Å; F39-I59 HydrophobicContact CE1-CD1 3.91Å; F39-I59 HydrophobicContact CE1-CG1 4.47Å; F39-I59 HydrophobicContact CG-CD1 4.26Å; Y54-I59 HydrophobicContact CD2-CD1 3.81Å; Y54-I59 HydrophobicContact CE2-CD1 4.1Å; N57-I59 HydrophobicContact CB-CD1 4.27Å; N57-I59 HydrophobicContact CB-CG1 3.94Å; N57-I59 HydrophobicContact CB-CG2 4.31Å; N57-I59 PolarHBondContact O-N 3.01Å; I59-V63 HydrophobicContact CB-CG1 4.36Å; I59-V63 HydrophobicContact CG2-CG1 4.03Å; I59-M64 HydrophobicContact CB-CG 4.41Å; I59-M64 HydrophobicContact CB-SD 4.37Å; I59-M64 HydrophobicContact CD1-CG 3.7Å; I59-M64 HydrophobicContact CD1-SD 3.56Å; I59-M64 VanDerWaalsContact CD1-SD 3.56Å; I59-M64 HydrophobicContact CG2-SD 4.26Å; I59-L322 HydrophobicContact CD1-CD2 4.23Å; I59-L322 HydrophobicContact CG2-CD2 3.88Å
60T98.6Very high98.8Very high38 Ų3827 Ų2723%0.23313%0.13CC..  trans-121.7173167.766.70000109.7L23 M28 E62 V63 M64L23-T60 HydrophobicContact CD2-CG2 4.25Å; M28-T60 HydrophobicContact CE-CG2 4.37Å; T60-E62 PolarHBondContact O-N 3.43Å; T60-E62 PolarHBondContact OG1-N 2.89Å; T60-V63 PolarHBondContact O-N 3.25Å; T60-V63 WeakPolarHBondContact OG1-CG2 3.46Å; T60-V63 PolarHBondContact OG1-N 3.29Å; T60-M64 PolarHBondContact O-N 3.15Å
61E98.4Very high98.8Very high113 Ų11327 Ų2753%0.52813%0.13SC..Hα-helixtrans-60.2-36.7173.8-64.3-175.4-13800111K38 F39 M64 K65K38-E61 WeakPolarHBondContact CD-OE1 3.4Å; K38-E61 WeakPolarHBondContact CE-OE1 3.45Å; K38-E61 IonicContact NZ-OE1 3.47Å; K38-E61 PolarHBondContact NZ-OE1 3.08Å; F39-E61 HydrophobicContact CE1-CG 4.36Å; F39-E61 HydrophobicContact CE2-CG 4.32Å; F39-E61 HydrophobicContact CZ-CB 4.4Å; F39-E61 HydrophobicContact CZ-CG 3.6Å; E61-M64 PolarHBondContact O-N 2.89Å; E61-K65 WeakPolarHBondContact O-CB 3.33Å; E61-K65 PolarHBondContact O-N 2.99Å
62E98.4Very high98.8Very high106 Ų10630.6 Ų30.650%0.49514%0.144SC..Hα-helixtrans-63-46.9175.5-172.4-176.1-16500111.9W15 T60 M64 K65 M66W15-E62 VanDerWaalsContact NE1-CD 3.26Å; W15-E62 PolarHBondContact NE1-OE2 3.32Å; T60-E62 PolarHBondContact O-N 3.43Å; T60-E62 PolarHBondContact OG1-N 2.89Å; E62-M64 PolarHBondContact O-N 2.9Å; E62-K65 WeakPolarHBondContact O-CB 3.3Å; E62-K65 PolarHBondContact O-N 3.31Å; E62-M66 HydrophobicContact CG-CE 4Å; E62-M66 WeakPolarHBondContact O-CG 3.34Å; E62-M66 PolarHBondContact O-N 3.27Å
63V98.6Very high98.7Very high0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-60.3-46.2176.8173.20000110.9W15 I59 T60 K65 M66 L67 W325W15-V63 HydrophobicContact CD2-CG2 4.19Å; W15-V63 HydrophobicContact CE3-CG2 3.79Å; W15-V63 HydrophobicContact CH2-CG2 3.16Å; W15-V63 HydrophobicContact CZ2-CG2 3.59Å; W15-V63 HydrophobicContact CZ3-CG2 3.28Å; I59-V63 HydrophobicContact CB-CG1 4.36Å; I59-V63 HydrophobicContact CG2-CG1 4.03Å; T60-V63 PolarHBondContact O-N 3.25Å; T60-V63 WeakPolarHBondContact OG1-CG2 3.46Å; T60-V63 PolarHBondContact OG1-N 3.29Å; V63-K65 VanDerWaalsContact C-N 3.31Å; V63-K65 PolarHBondContact O-N 2.89Å; V63-M66 HydrophobicContact CG2-CE 4.3Å; V63-M66 PolarHBondContact O-N 2.94Å; V63-L67 HydrophobicContact CG1-CD1 3.82Å; V63-L67 HydrophobicContact CG1-CG 4.35Å; V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 WeakPolarHBondContact O-CG 3.4Å; V63-L67 PolarHBondContact O-N 2.82Å; V63-W325 HydrophobicContact CG1-CD2 4.25Å; V63-W325 HydrophobicContact CG1-CH2 4.48Å; V63-W325 HydrophobicContact CG1-CZ2 4.2Å
64M98.8Very high98.7Very high16 Ų1633.7 Ų33.78%0.07916%0.162CC..Hα-helixtrans-62.2-40178.3-72.3-53.8-55.800112F39 Y54 I59 T60 E61 E62 L67 V68 L318 L322F39-M64 HydrophobicContact CD1-CG 4.16Å; F39-M64 HydrophobicContact CE1-CG 3.79Å; Y54-M64 HydrophobicContact CE2-CE 4.2Å; Y54-M64 HydrophobicContact CE2-SD 4.44Å; I59-M64 HydrophobicContact CB-CG 4.41Å; I59-M64 HydrophobicContact CB-SD 4.37Å; I59-M64 HydrophobicContact CD1-CG 3.7Å; I59-M64 HydrophobicContact CD1-SD 3.56Å; I59-M64 VanDerWaalsContact CD1-SD 3.56Å; I59-M64 HydrophobicContact CG2-SD 4.26Å; T60-M64 PolarHBondContact O-N 3.15Å; E61-M64 PolarHBondContact O-N 2.89Å; E62-M64 PolarHBondContact O-N 2.9Å; M64-L67 PolarHBondContact O-N 2.9Å; M64-L67 HydrophobicContact SD-CD1 4.09Å; M64-V68 VanDerWaalsContact O-CG2 3.3Å; M64-V68 WeakPolarHBondContact O-CG2 3.32Å; M64-V68 PolarHBondContact O-N 3.26Å; M64-L318 HydrophobicContact CE-CD2 3.42Å; M64-L318 VanDerWaalsContact CE-CD2 3.42Å; M64-L322 HydrophobicContact SD-CD2 4.43Å
65K98.8Very high98.6Very high141 Ų14139.4 Ų39.461%0.61319%0.189SC*.Hα-helixtrans-60.8-47.7174-176.4179177.9179.20111.6E61 E62 V63 L67 V68 D69E61-K65 WeakPolarHBondContact O-CB 3.33Å; E61-K65 PolarHBondContact O-N 2.99Å; E62-K65 WeakPolarHBondContact O-CB 3.3Å; E62-K65 PolarHBondContact O-N 3.31Å; V63-K65 VanDerWaalsContact C-N 3.31Å; V63-K65 PolarHBondContact O-N 2.89Å; K65-L67 VanDerWaalsContact C-N 3.34Å; K65-L67 PolarHBondContact O-N 3.05Å; K65-V68 PolarHBondContact O-N 3.46Å; K65-D69 WeakPolarHBondContact O-CB 3.32Å; K65-D69 VanDerWaalsContact O-CG 3.25Å; K65-D69 PolarHBondContact O-N 2.87Å
66M98.9Very high98.6Very high8 Ų839.3 Ų39.34%0.03919%0.188CC..Hα-helixtrans-62.8-39178.2-72-175.5-6600112.7K11 L12 W15 E62 V63 D69 L70K11-M66 HydrophobicContact CD-SD 4.3Å; K11-M66 HydrophobicContact CG-SD 4.1Å; L12-M66 HydrophobicContact CD1-CB 3.93Å; L12-M66 HydrophobicContact CD1-CE 3.82Å; L12-M66 HydrophobicContact CD1-SD 4.35Å; W15-M66 HydrophobicContact CB-CE 3.88Å; W15-M66 HydrophobicContact CB-SD 4.19Å; W15-M66 HydrophobicContact CD2-CE 3.83Å; W15-M66 HydrophobicContact CE3-CE 4.47Å; W15-M66 HydrophobicContact CG-CE 3.52Å; W15-M66 HydrophobicContact CG-SD 4.31Å; E62-M66 HydrophobicContact CG-CE 4Å; E62-M66 WeakPolarHBondContact O-CG 3.34Å; E62-M66 PolarHBondContact O-N 3.27Å; V63-M66 HydrophobicContact CG2-CE 4.3Å; V63-M66 PolarHBondContact O-N 2.94Å; M66-D69 PolarHBondContact O-N 3.21Å; M66-L70 WeakPolarHBondContact O-CB 3.34Å; M66-L70 PolarHBondContact O-N 3.17Å
67L98.9Very high98.6Very high0 Ų042.1 Ų42.10%020%0.202CC..Hα-helixtrans-63.8-42.5174.7-76.1167.3000111.8L12 V63 M64 K65 L70 A71 L321 W325L12-L67 HydrophobicContact CD2-CD2 3.48Å; L12-L67 VanDerWaalsContact CD2-CD2 3.48Å; L12-L67 HydrophobicContact CD2-CG 4.03Å; V63-L67 HydrophobicContact CG1-CD1 3.82Å; V63-L67 HydrophobicContact CG1-CG 4.35Å; V63-L67 WeakPolarHBondContact O-CB 3.34Å; V63-L67 WeakPolarHBondContact O-CG 3.4Å; V63-L67 PolarHBondContact O-N 2.82Å; M64-L67 PolarHBondContact O-N 2.9Å; M64-L67 HydrophobicContact SD-CD1 4.09Å; K65-L67 VanDerWaalsContact C-N 3.34Å; K65-L67 PolarHBondContact O-N 3.05Å; L67-L70 PolarHBondContact O-N 2.73Å; L67-A71 PolarHBondContact O-N 3.47Å; L67-L321 HydrophobicContact CB-CB 4.15Å; L67-L321 HydrophobicContact CB-CD1 4.11Å; L67-L321 HydrophobicContact CB-CD2 4.32Å; L67-L321 HydrophobicContact CB-CG 4.41Å; L67-L321 HydrophobicContact CD1-CB 4.41Å; L67-L321 HydrophobicContact CD2-CB 4.48Å; L67-L321 WeakPolarHBondContact O-CD2 3.5Å; L67-W325 HydrophobicContact CD1-CB 4.17Å; L67-W325 HydrophobicContact CD2-CB 4.28Å
68V98.9Very high98.5Very high10 Ų1044.2 Ų44.26%0.06122%0.22CC..Hα-helixtrans-67.2-39.5175.8170.70000111.3M64 K65 L70 A71 K72 L311 D312 L321M64-V68 VanDerWaalsContact O-CG2 3.3Å; M64-V68 WeakPolarHBondContact O-CG2 3.32Å; M64-V68 PolarHBondContact O-N 3.26Å; K65-V68 PolarHBondContact O-N 3.46Å; V68-L70 VanDerWaalsContact C-N 3.33Å; V68-A71 WeakPolarHBondContact O-CB 3.38Å; V68-A71 PolarHBondContact O-N 2.9Å; V68-K72 HydrophobicContact CG1-CD 4.47Å; V68-K72 WeakPolarHBondContact O-CG 3.39Å; V68-K72 PolarHBondContact O-N 3.39Å; V68-L311 HydrophobicContact CG1-CB 4.17Å; V68-D312 HydrophobicContact CG1-CB 4.47Å; V68-D312 HydrophobicContact CG2-CB 4.05Å; V68-L321 HydrophobicContact CG2-CD1 3.89Å
69D98.8Very high98.5Very high45 Ų4544.1 Ų44.124%0.24122%0.219CC..Hα-helixtrans-63.8-39.6175.7-70.6-20.1000111.1N8 K65 M66 K72 S73N8-D69 PolarHBondContact ND2-O 2.71Å; K65-D69 WeakPolarHBondContact O-CB 3.32Å; K65-D69 VanDerWaalsContact O-CG 3.25Å; K65-D69 PolarHBondContact O-N 2.87Å; M66-D69 PolarHBondContact O-N 3.21Å; D69-K72 PolarHBondContact O-N 2.95Å; D69-S73 PolarHBondContact O-N 2.91Å
70L98.8Very high98.5Very high0 Ų044.9 Ų44.90%022%0.222CC..Hα-helixtrans-61.8-45.9170178.861.8000111.3L3 D6 N8 F9 L12 M66 L67 V68 K72 S73 R74 M503L3-L70 HydrophobicContact CD1-CD1 4.15Å; L3-L70 HydrophobicContact CD1-CD2 4.44Å; D6-L70 HydrophobicContact CB-CD1 4.3Å; N8-L70 HydrophobicContact CB-CB 4.02Å; N8-L70 HydrophobicContact CB-CD1 4.02Å; F9-L70 HydrophobicContact CB-CD1 3.94Å; F9-L70 HydrophobicContact CB-CD2 4.46Å; F9-L70 HydrophobicContact CD2-CD2 4.06Å; L12-L70 HydrophobicContact CD2-CD2 4.47Å; M66-L70 WeakPolarHBondContact O-CB 3.34Å; M66-L70 PolarHBondContact O-N 3.17Å; L67-L70 PolarHBondContact O-N 2.73Å; V68-L70 VanDerWaalsContact C-N 3.33Å; L70-K72 PolarHBondContact O-N 3.28Å; L70-S73 PolarHBondContact O-N 2.88Å; L70-S73 VanDerWaalsContact O-N 3.16Å; L70-S73 PolarHBondContact O-OG 2.99Å; L70-R74 HydrophobicContact CD1-CG 3.95Å; L70-R74 HydrophobicContact CG-CG 4.29Å; L70-R74 WeakPolarHBondContact O-CB 3.31Å; L70-R74 VanDerWaalsContact O-CG 3.25Å; L70-R74 WeakPolarHBondContact O-CG 3.36Å; L70-R74 PolarHBondContact O-N 3.43Å; L70-M503 HydrophobicContact CD2-CE 3.73Å; L70-M503 HydrophobicContact CG-CE 3.76Å
71A98.6Very high98.5Very high0 Ų045.9 Ų45.90%022%0.224CC..Hα-helixtrans-55.6-39.9176.100000112.1L67 V68 R74 E75 I76 L311 L321L67-A71 PolarHBondContact O-N 3.47Å; V68-A71 WeakPolarHBondContact O-CB 3.38Å; V68-A71 PolarHBondContact O-N 2.9Å; A71-R74 PolarHBondContact O-N 3.01Å; A71-E75 PolarHBondContact O-N 3.43Å; A71-I76 HydrophobicContact CB-CG1 4.13Å; A71-I76 VanDerWaalsContact O-CG1 3.23Å; A71-I76 WeakPolarHBondContact O-CG1 3.45Å; A71-I76 PolarHBondContact O-N 3.12Å; A71-L311 HydrophobicContact CB-CD1 4.12Å; A71-L321 HydrophobicContact CB-CD1 4.43Å; A71-L321 HydrophobicContact CB-CD2 3.94Å
72K98.5Very high98.6Very high111 Ų11145 Ų4548%0.48322%0.216SC..Hα-helixtrans-66.8-46176.4-70.5170.1178.2170.50112V68 D69 L70 R74 E75 L311V68-K72 HydrophobicContact CG1-CD 4.47Å; V68-K72 WeakPolarHBondContact O-CG 3.39Å; V68-K72 PolarHBondContact O-N 3.39Å; D69-K72 PolarHBondContact O-N 2.95Å; L70-K72 PolarHBondContact O-N 3.28Å; K72-R74 PolarHBondContact O-N 3.14Å; K72-E75 PolarHBondContact O-N 3.33Å; K72-L311 HydrophobicContact CG-CD1 3.76Å
73S98.2Very high98.6Very high45 Ų4540 Ų4032%0.31519%0.193SC..Hα-helixtrans-67.5-23.8178.462.20000113.4D6 N8 D69 L70 E75D6-S73 VanDerWaalsContact CG-OG 3.3Å; D6-S73 PolarHBondContact OD1-OG 2.87Å; D6-S73 WeakPolarHBondContact OD2-CB 3.25Å; D6-S73 PolarHBondContact OD2-OG 3.16Å; N8-S73 WeakPolarHBondContact ND2-CB 3.48Å; N8-S73 PolarHBondContact ND2-OG 3.3Å; D69-S73 PolarHBondContact O-N 2.91Å; L70-S73 PolarHBondContact O-N 2.88Å; L70-S73 VanDerWaalsContact O-N 3.16Å; L70-S73 PolarHBondContact O-OG 2.99Å; S73-E75 PolarHBondContact O-N 3.14Å
74R97.7Very high98.6Very high31 Ų3140.6 Ų40.612%0.11720%0.195CC..THydrogen-bonded Turntrans-82.86.8170.7-59.6-46.6-54.5161.119.1114M1 L3 D6 L70 A71 K72 I76 M503 E505M1-R74 PolarHBondContact O-NH1 3.17Å; L3-R74 HydrophobicContact CD1-CG 4.46Å; D6-R74 VanDerWaalsContact OD2-CD 3.25Å; D6-R74 WeakPolarHBondContact OD2-CD 3.32Å; L70-R74 HydrophobicContact CD1-CG 3.95Å; L70-R74 HydrophobicContact CG-CG 4.29Å; L70-R74 WeakPolarHBondContact O-CB 3.31Å; L70-R74 VanDerWaalsContact O-CG 3.25Å; L70-R74 WeakPolarHBondContact O-CG 3.36Å; L70-R74 PolarHBondContact O-N 3.43Å; A71-R74 PolarHBondContact O-N 3.01Å; K72-R74 PolarHBondContact O-N 3.14Å; R74-I76 VanDerWaalsContact C-N 3.32Å; R74-I76 PolarHBondContact O-N 3.15Å; R74-M503 HydrophobicContact CB-CG 4.24Å; R74-M503 HydrophobicContact CG-CG 4.35Å; R74-M503 PolarHBondContact NE-O 2.93Å; R74-E505 IonicContact CZ-OE1 2.84Å; R74-E505 IonicContact NH1-OE1 3.28Å; R74-E505 PolarHBondContact NH1-OE1 2.88Å; R74-E505 IonicContact NH2-OE1 3.8Å; R74-E505 PolarHBondContact NH2-OE1 3.38Å
75E97.7Very high98.6Very high126 Ų12642.5 Ų42.559%0.58921%0.208SC*.THydrogen-bonded Turntrans56.538.1174.3-55.1-171.8132.600114.4A71 K72 S73 E77 A78 A79A71-E75 PolarHBondContact O-N 3.43Å; K72-E75 PolarHBondContact O-N 3.33Å; S73-E75 PolarHBondContact O-N 3.14Å; E75-E77 VanDerWaalsContact C-N 3.27Å; E75-E77 PolarHBondContact O-N 3.11Å; E75-A78 HydrophobicContact CB-CB 4.28Å; E75-A78 PolarHBondContact O-N 3.36Å; E75-A79 PolarHBondContact O-N 2.99Å
76I98.3Very high98.5Very high0 Ų036.1 Ų36.10%018%0.182CC..Hα-helixtrans-55.3-41.2-178-68.7-56.8000112.4A71 R74 A79 R80 L311 V499 V502 M503A71-I76 HydrophobicContact CB-CG1 4.13Å; A71-I76 VanDerWaalsContact O-CG1 3.23Å; A71-I76 WeakPolarHBondContact O-CG1 3.45Å; A71-I76 PolarHBondContact O-N 3.12Å; R74-I76 VanDerWaalsContact C-N 3.32Å; R74-I76 PolarHBondContact O-N 3.15Å; I76-A79 PolarHBondContact O-N 3.47Å; I76-R80 WeakPolarHBondContact O-CB 3.48Å; I76-R80 PolarHBondContact O-N 3.08Å; I76-L311 HydrophobicContact CG2-CD2 4.18Å; I76-V499 HydrophobicContact CD1-CG1 3.96Å; I76-V499 HydrophobicContact CG1-CG1 4.28Å; I76-V499 HydrophobicContact CG2-CG1 4.35Å; I76-V499 HydrophobicContact CG2-CG2 4.11Å; I76-V502 HydrophobicContact CD1-CB 3.65Å; I76-V502 HydrophobicContact CD1-CG1 3.54Å; I76-M503 HydrophobicContact CD1-CG 3.71Å; I76-M503 HydrophobicContact CG1-CG 4.27Å
77E98.6Very high98.5Very high88 Ų8840.4 Ų40.441%0.41120%0.202SC..Hα-helixtrans-66.1-42.2-179.1-62.8-179.5104.200111.9E75 R80 E81 L311E75-E77 VanDerWaalsContact C-N 3.27Å; E75-E77 PolarHBondContact O-N 3.11Å; E77-R80 WeakPolarHBondContact O-CB 3.31Å; E77-R80 PolarHBondContact O-N 3.45Å; E77-R80 IonicContact OE1-NH2 2.85Å; E77-E81 WeakPolarHBondContact O-CG 3.41Å; E77-E81 PolarHBondContact O-N 2.86Å; E77-L311 HydrophobicContact CG-CD1 4.13Å; E77-L311 HydrophobicContact CG-CD2 3.95Å; E77-L311 HydrophobicContact CG-CG 4.18Å
78A98.6Very high98.5Very high47 Ų4744.8 Ų44.839%0.38822%0.221SC..Hα-helixtrans-66.7-47176.700000110.8E75 R80 E81 R82E75-A78 HydrophobicContact CB-CB 4.28Å; E75-A78 PolarHBondContact O-N 3.36Å; A78-R80 VanDerWaalsContact C-N 3.29Å; A78-R80 PolarHBondContact O-N 3.44Å; A78-E81 PolarHBondContact O-N 3.15Å; A78-E81 VanDerWaalsContact O-N 3.15Å; A78-R82 WeakPolarHBondContact O-CG 3.42Å; A78-R82 PolarHBondContact O-N 3.26Å
79A98.6Very high98.5Very high2 Ų245.6 Ų45.62%0.01723%0.225CC..Hα-helixtrans-59-41.5177.300000112.1E75 I76 R82 M83 F498 V502E75-A79 PolarHBondContact O-N 2.99Å; I76-A79 PolarHBondContact O-N 3.47Å; A79-R82 PolarHBondContact O-N 3.33Å; A79-M83 PolarHBondContact O-N 3.37Å; A79-M83 VanDerWaalsContact O-N 3.17Å; A79-F498 HydrophobicContact CB-CZ 4.04Å; A79-V502 HydrophobicContact CB-CB 4.38Å; A79-V502 HydrophobicContact CB-CG1 3.59Å; A79-V502 HydrophobicContact CB-CG2 3.83Å
80R98.7Very high98.4Very high15 Ų1543.8 Ų43.86%0.05722%0.215CC..Hα-helixtrans-57.1-51.5173.6175.3-176.977.2-155.4-15.9110.6I76 E77 A78 R82 M83 F84 F306 R307 F498I76-R80 WeakPolarHBondContact O-CB 3.48Å; I76-R80 PolarHBondContact O-N 3.08Å; E77-R80 WeakPolarHBondContact O-CB 3.31Å; E77-R80 PolarHBondContact O-N 3.45Å; E77-R80 IonicContact OE1-NH2 2.85Å; A78-R80 VanDerWaalsContact C-N 3.29Å; A78-R80 PolarHBondContact O-N 3.44Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-R82 PolarHBondContact O-N 2.88Å; R80-M83 WeakPolarHBondContact O-CB 3.41Å; R80-M83 PolarHBondContact O-N 2.98Å; R80-M83 VanDerWaalsContact O-N 3.09Å; R80-F84 HydrophobicContact CG-CD2 3.82Å; R80-F84 HydrophobicContact CG-CE2 3.85Å; R80-F84 WeakPolarHBondContact O-CD2 3.45Å; R80-F84 PolarHBondContact O-N 3.42Å; R80-F84 VanDerWaalsContact O-N 3.09Å; R80-F306 HydrophobicContact CB-CE1 4.25Å; R80-F306 HydrophobicContact CB-CZ 4.11Å; R80-F306 VanDerWaalsContact CD-O 3.29Å; R80-F306 WeakPolarHBondContact CD-O 3.23Å; R80-F306 HydrophobicContact CG-CD1 4.13Å; R80-F306 HydrophobicContact CG-CE1 3.52Å; R80-F306 HydrophobicContact CG-CZ 3.76Å; R80-F306 PolarHBondContact NH1-O 3.2Å; R80-R307 PolarHBondContact NE-O 3.31Å; R80-R307 PolarHBondContact NH1-O 3.07Å; R80-R307 PolarHBondContact NH2-O 3.45Å; R80-F498 HydrophobicContact CB-CE1 4.11Å
81E98.6Very high98.3Very high59 Ų5948 Ų4828%0.27623%0.233SC..Hα-helixtrans-59.4-42.9179.5-69.1-45.8119.800112E77 A78 M83 F84 T85 R307E77-E81 WeakPolarHBondContact O-CG 3.41Å; E77-E81 PolarHBondContact O-N 2.86Å; A78-E81 PolarHBondContact O-N 3.15Å; A78-E81 VanDerWaalsContact O-N 3.15Å; E81-M83 VanDerWaalsContact C-N 3.25Å; E81-M83 PolarHBondContact O-N 2.9Å; E81-F84 PolarHBondContact O-N 3.48Å; E81-T85 WeakPolarHBondContact O-CG2 3.38Å; E81-T85 PolarHBondContact O-N 3.31Å; E81-T85 PolarHBondContact O-OG1 2.91Å; E81-R307 WeakPolarHBondContact OE1-CG 3.49Å; E81-R307 IonicContact OE1-NE 2.77Å; E81-R307 IonicContact OE2-CZ 2.73Å; E81-R307 VanDerWaalsContact OE2-CZ 3.29Å; E81-R307 IonicContact OE2-NE 3.22Å; E81-R307 PolarHBondContact OE2-NE 3.41Å; E81-R307 IonicContact OE2-NH2 3.95Å; E81-R307 PolarHBondContact OE2-NH2 3.24Å
82R98.8Very high98.3Very high96 Ų9650.7 Ų50.736%0.36225%0.25SS..Hα-helixtrans-54.3-40.2174.7-63.6-164.9-67.5-129.2-6.3112.9A78 A79 R80 T85 G86 E87 I89A78-R82 WeakPolarHBondContact O-CG 3.42Å; A78-R82 PolarHBondContact O-N 3.26Å; A79-R82 PolarHBondContact O-N 3.33Å; R80-R82 VanDerWaalsContact C-N 3.32Å; R80-R82 PolarHBondContact O-N 2.88Å; R82-T85 PolarHBondContact O-OG1 3.15Å; R82-G86 PolarHBondContact O-N 3.35Å; R82-E87 HydrophobicContact CB-CB 4.02Å; R82-E87 HydrophobicContact CB-CG 4.3Å; R82-E87 WeakPolarHBondContact CD-OE2 3.42Å; R82-E87 VanDerWaalsContact CG-CD 3.47Å; R82-E87 WeakPolarHBondContact CG-OE1 3.04Å; R82-E87 VanDerWaalsContact CG-OE2 3.25Å; R82-E87 WeakPolarHBondContact CG-OE2 3.46Å; R82-E87 WeakPolarHBondContact O-CB 3.44Å; R82-E87 PolarHBondContact O-N 3.21Å; R82-I89 HydrophobicContact CB-CG2 3.59Å
83M98.8Very high98.2Very high0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-63-51.8174.5-173176.96700110.9A79 R80 E81 T85 G86 I89 V97 L98 V100 F306 F498 F509A79-M83 PolarHBondContact O-N 3.37Å; A79-M83 VanDerWaalsContact O-N 3.17Å; R80-M83 WeakPolarHBondContact O-CB 3.41Å; R80-M83 PolarHBondContact O-N 2.98Å; R80-M83 VanDerWaalsContact O-N 3.09Å; E81-M83 VanDerWaalsContact C-N 3.25Å; E81-M83 PolarHBondContact O-N 2.9Å; M83-T85 VanDerWaalsContact C-N 3.29Å; M83-T85 PolarHBondContact O-N 2.86Å; M83-G86 PolarHBondContact O-N 3.11Å; M83-I89 HydrophobicContact CB-CD1 3.65Å; M83-I89 HydrophobicContact CG-CD1 3.87Å; M83-V97 HydrophobicContact CG-CG1 4.47Å; M83-V97 WeakPolarHBondContact CG-O 3.18Å; M83-L98 WeakPolarHBondContact O-CD2 3.47Å; M83-V100 HydrophobicContact CE-CG1 4.33Å; M83-F306 HydrophobicContact CE-CE1 4.05Å; M83-F498 HydrophobicContact CB-CE2 4.38Å; M83-F498 HydrophobicContact CB-CZ 4.41Å; M83-F498 HydrophobicContact SD-CD2 3.98Å; M83-F498 HydrophobicContact SD-CE2 4.09Å; M83-F498 HydrophobicContact SD-CG 4.3Å; M83-F509 HydrophobicContact SD-CZ 4.34Å
84F98.8Very high98.2Very high12 Ų1247.7 Ų47.75%0.05324%0.244CC..Hα-helixtrans-69.6-22.5-175.4-83.8-87.9000114.3R80 E81 V100 D303 F306 R307R80-F84 HydrophobicContact CG-CD2 3.82Å; R80-F84 HydrophobicContact CG-CE2 3.85Å; R80-F84 WeakPolarHBondContact O-CD2 3.45Å; R80-F84 PolarHBondContact O-N 3.42Å; R80-F84 VanDerWaalsContact O-N 3.09Å; E81-F84 PolarHBondContact O-N 3.48Å; F84-V100 HydrophobicContact CD1-CB 4.24Å; F84-V100 HydrophobicContact CD1-CG1 4.42Å; F84-V100 HydrophobicContact CD1-CG2 3.91Å; F84-V100 HydrophobicContact CE1-CB 3.91Å; F84-V100 HydrophobicContact CE1-CG1 3.8Å; F84-V100 HydrophobicContact CE1-CG2 4.09Å; F84-V100 HydrophobicContact CG-CG2 4.5Å; F84-V100 HydrophobicContact CZ-CG1 3.9Å; F84-D303 HydrophobicContact CE1-CB 3.95Å; F84-D303 HydrophobicContact CZ-CB 4.06Å; F84-F306 AromaticContact CE2-CD1 3.69Å; F84-F306 HydrophobicContact CE2-CD1 3.69Å; F84-F306 AromaticContact CE2-CE1 3.93Å; F84-F306 HydrophobicContact CE2-CE1 3.93Å; F84-F306 HydrophobicContact CZ-CD1 4.08Å; F84-R307 HydrophobicContact CD2-CG 4.27Å; F84-R307 HydrophobicContact CE1-CB 4.45Å; F84-R307 HydrophobicContact CE2-CB 4.26Å; F84-R307 HydrophobicContact CE2-CG 4.4Å; F84-R307 HydrophobicContact CG-CG 4.36Å; F84-R307 HydrophobicContact CZ-CB 4.16Å
85T98.3Very high98.2Very high57 Ų5749.7 Ų49.735%0.3525%0.252SS..THydrogen-bonded Turntrans-92.5-2.5178.356.50000113.5E81 R82 M83E81-T85 WeakPolarHBondContact O-CG2 3.38Å; E81-T85 PolarHBondContact O-N 3.31Å; E81-T85 PolarHBondContact O-OG1 2.91Å; R82-T85 PolarHBondContact O-OG1 3.15Å; M83-T85 VanDerWaalsContact C-N 3.29Å; M83-T85 PolarHBondContact O-N 2.86Å
86G97.9Very high98.3Very high7 Ų743.8 Ų43.87%0.07223%0.225CC..THydrogen-bonded Turntrans83.919.3175.900000114.7R82 M83 A96R82-G86 PolarHBondContact O-N 3.35Å; M83-G86 PolarHBondContact O-N 3.11Å; G86-A96 WeakPolarHBondContact O-CB 3.47Å
87E98.4Very high98.3Very high97 Ų9744 Ų4445%0.45323%0.226SC..  trans-64.8153.4171.7-66.7-179.7-13600111.4R82 I89 A96R82-E87 HydrophobicContact CB-CB 4.02Å; R82-E87 HydrophobicContact CB-CG 4.3Å; R82-E87 WeakPolarHBondContact CD-OE2 3.42Å; R82-E87 VanDerWaalsContact CG-CD 3.47Å; R82-E87 WeakPolarHBondContact CG-OE1 3.04Å; R82-E87 VanDerWaalsContact CG-OE2 3.25Å; R82-E87 WeakPolarHBondContact CG-OE2 3.46Å; R82-E87 WeakPolarHBondContact O-CB 3.44Å; R82-E87 PolarHBondContact O-N 3.21Å; E87-I89 HydrophobicContact CB-CG2 4.22Å; E87-I89 PolarHBondContact O-N 2.86Å; E87-A96 WeakPolarHBondContact O-CA 3.34Å
88K98.3Very high98.3Very high93 Ų9339.9 Ų39.940%0.40421%0.207SC..  trans-78.561.1-176-69.1176168.41710112.1N90 G94 R95 D113K88-N90 VanDerWaalsContact C-N 3.28Å; K88-N90 PolarHBondContact O-N 2.88Å; K88-G94 VanDerWaalsContact CD-O 3.31Å; K88-G94 WeakPolarHBondContact CD-O 3.46Å; K88-R95 CarbonylContact C-O 3.54Å; K88-R95 VanDerWaalsContact C-O 3.25Å; K88-R95 WeakPolarHBondContact CA-O 3.46Å; K88-D113 WeakPolarHBondContact CE-OD1 3.19Å; K88-D113 IonicContact NZ-OD1 3.37Å; K88-D113 PolarHBondContact NZ-OD1 3.11Å; K88-D113 IonicContact NZ-OD2 3.72Å; K88-D113 PolarHBondContact NZ-OD2 3.25Å
89I98.5Very high98.3Very high27 Ų2737.8 Ų37.814%0.13819%0.189CC..  trans-73-16.7-176.468.1167.3000113.8R82 M83 E87 F91 R95 V97 F498 F509R82-I89 HydrophobicContact CB-CG2 3.59Å; M83-I89 HydrophobicContact CB-CD1 3.65Å; M83-I89 HydrophobicContact CG-CD1 3.87Å; E87-I89 HydrophobicContact CB-CG2 4.22Å; E87-I89 PolarHBondContact O-N 2.86Å; I89-F91 WeakPolarHBondContact O-CD1 3.42Å; I89-F91 PolarHBondContact O-N 3.24Å; I89-R95 PolarHBondContact N-O 3.23Å; I89-V97 HydrophobicContact CD1-CB 4.02Å; I89-V97 HydrophobicContact CD1-CG2 4.2Å; I89-V97 HydrophobicContact CG1-CB 3.84Å; I89-V97 HydrophobicContact CG1-CG2 3.62Å; I89-F498 HydrophobicContact CD1-CE2 4Å; I89-F509 HydrophobicContact CD1-CD2 4.31Å; I89-F509 HydrophobicContact CD1-CE2 3.74Å; I89-F509 HydrophobicContact CD1-CZ 4.48Å; I89-F509 HydrophobicContact CG1-CD2 4.46Å; I89-F509 HydrophobicContact CG1-CE2 4.36Å
90N98.4Very high98.3Very high6 Ų637.9 Ų37.93%0.03219%0.189CC..BIsolated β-bridgetrans-79.679.7163.6179.10.2000107.9K88 T92 E93 G94 R95 V97 N507 F509K88-N90 VanDerWaalsContact C-N 3.28Å; K88-N90 PolarHBondContact O-N 2.88Å; N90-T92 PolarHBondContact O-N 3.2Å; N90-E93 PolarHBondContact ND2-OE2 3.34Å; N90-E93 PolarHBondContact O-N 3.27Å; N90-G94 PolarHBondContact O-N 3.09Å; N90-R95 HydrophobicContact CB-CB 4.19Å; N90-R95 WeakPolarHBondContact CB-O 3.41Å; N90-R95 PolarHBondContact N-O 3.31Å; N90-R95 VanDerWaalsContact N-O 3.11Å; N90-R95 PolarHBondContact O-N 3.24Å; N90-R95 VanDerWaalsContact O-N 3.07Å; N90-V97 HydrophobicContact CB-CG2 3.7Å; N90-N507 PolarHBondContact OD1-ND2 2.91Å; N90-F509 HydrophobicContact CB-CB 3.95Å; N90-F509 PolarHBondContact ND2-O 3.3Å
91F97Very high98.3Very high88 Ų8837.1 Ų37.139%0.38619%0.186SC..THydrogen-bonded Turntrans-72.4-24.3-167.255.3-97.3000113.8I89 N365 N507I89-F91 WeakPolarHBondContact O-CD1 3.42Å; I89-F91 PolarHBondContact O-N 3.24Å; F91-N365 HydrophobicContact CD1-CB 4.28Å; F91-N365 HydrophobicContact CE1-CB 3.61Å; F91-N365 HydrophobicContact CE2-CB 4.05Å; F91-N365 HydrophobicContact CZ-CB 3.47Å; F91-N365 VanDerWaalsContact CZ-CB 3.47Å; F91-N507 HydrophobicContact CD1-CB 4.5Å; F91-N507 HydrophobicContact CE1-CB 3.68Å; F91-N507 HydrophobicContact CE2-CB 4.27Å; F91-N507 HydrophobicContact CZ-CB 3.54Å
92T97.9Very high98.3Very high58 Ų5834.5 Ų34.536%0.35617%0.174SC..THydrogen-bonded Turntrans-77.9-25.7178.5640000112.5N90 N507 D510 W512N90-T92 PolarHBondContact O-N 3.2Å; T92-N507 PolarHBondContact OG1-ND2 2.94Å; T92-D510 WeakPolarHBondContact CB-OD2 3.09Å; T92-D510 VanDerWaalsContact CG2-OD2 3.28Å; T92-D510 WeakPolarHBondContact CG2-OD2 3.42Å; T92-D510 WeakPolarHBondContact OG1-CB 3.42Å; T92-D510 PolarHBondContact OG1-OD2 3.42Å; T92-W512 PolarHBondContact OG1-NE1 3.41Å; T92-W512 VanDerWaalsContact OG1-NE1 3.1Å
93E96.9Very high98.3Very high51 Ų5130 Ų3024%0.23816%0.157CC..THydrogen-bonded Turntrans-106.3-4.8177-60.2-171.6114.100113.2N90 R95 D510 W512N90-E93 PolarHBondContact ND2-OE2 3.34Å; N90-E93 PolarHBondContact O-N 3.27Å; E93-R95 HydrophobicContact CB-CG 4.11Å; E93-R95 IonicContact OE1-CZ 3.51Å; E93-R95 IonicContact OE1-NH1 2.95Å; E93-R95 PolarHBondContact OE1-NH1 3.48Å; E93-R95 IonicContact OE1-NH2 2.75Å; E93-R95 IonicContact OE2-CZ 3.29Å; E93-R95 IonicContact OE2-NH1 3.67Å; E93-R95 PolarHBondContact OE2-NH1 3.28Å; E93-D510 HydrophobicContact CG-CB 4.47Å; E93-W512 HydrophobicContact CG-CZ2 3.96Å
94G97.4Very high98.3Very high42 Ų4230.5 Ų30.543%0.43316%0.16SC..THydrogen-bonded Turntrans65.335.7-17800000113.5K88 N90K88-G94 VanDerWaalsContact CD-O 3.31Å; K88-G94 WeakPolarHBondContact CD-O 3.46Å; N90-G94 PolarHBondContact O-N 3.09Å
95R98Very high98.3Very high73 Ų7333.7 Ų33.728%0.27517%0.172SC..BIsolated β-bridgetrans-117.1147.8-172.9-67.9175.6-176.2150.27.9112.6K88 I89 N90 E93K88-R95 CarbonylContact C-O 3.54Å; K88-R95 VanDerWaalsContact C-O 3.25Å; K88-R95 WeakPolarHBondContact CA-O 3.46Å; I89-R95 PolarHBondContact N-O 3.23Å; N90-R95 HydrophobicContact CB-CB 4.19Å; N90-R95 WeakPolarHBondContact CB-O 3.41Å; N90-R95 PolarHBondContact N-O 3.31Å; N90-R95 VanDerWaalsContact N-O 3.11Å; N90-R95 PolarHBondContact O-N 3.24Å; N90-R95 VanDerWaalsContact O-N 3.07Å; E93-R95 HydrophobicContact CB-CG 4.11Å; E93-R95 IonicContact OE1-CZ 3.51Å; E93-R95 IonicContact OE1-NH1 2.95Å; E93-R95 PolarHBondContact OE1-NH1 3.48Å; E93-R95 IonicContact OE1-NH2 2.75Å; E93-R95 IonicContact OE2-CZ 3.29Å; E93-R95 IonicContact OE2-NH1 3.67Å; E93-R95 PolarHBondContact OE2-NH1 3.28Å
96A98.4Very high98.3Very high2 Ų234 Ų342%0.01718%0.176CC..  trans-67.5165.9163.200000110.4G86 E87 L98 V112 W268G86-A96 WeakPolarHBondContact O-CB 3.47Å; E87-A96 WeakPolarHBondContact O-CA 3.34Å; A96-L98 HydrophobicContact CB-CD1 4.12Å; A96-L98 HydrophobicContact CB-CG 4.26Å; A96-V112 HydrophobicContact CB-CG1 4.34Å; A96-V112 HydrophobicContact CB-CG2 3.92Å; A96-W268 HydrophobicContact CB-CB 3.92Å; A96-W268 VanDerWaalsContact O-CA 3.23Å; A96-W268 WeakPolarHBondContact O-CA 3.28Å; A96-W268 WeakPolarHBondContact O-CB 3.42Å
97V98.6Very high98.3Very high5 Ų537.4 Ų37.43%0.0319%0.193CC..  trans-133.5101.2177.8177.80000108.6M83 I89 N90 F509M83-V97 HydrophobicContact CG-CG1 4.47Å; M83-V97 WeakPolarHBondContact CG-O 3.18Å; I89-V97 HydrophobicContact CD1-CB 4.02Å; I89-V97 HydrophobicContact CD1-CG2 4.2Å; I89-V97 HydrophobicContact CG1-CB 3.84Å; I89-V97 HydrophobicContact CG1-CG2 3.62Å; N90-V97 HydrophobicContact CB-CG2 3.7Å; V97-F509 HydrophobicContact CB-CD1 4.45Å; V97-F509 HydrophobicContact CB-CD2 4.35Å; V97-F509 HydrophobicContact CB-CE2 4.45Å; V97-F509 HydrophobicContact CB-CG 4.32Å; V97-F509 HydrophobicContact CG1-CD1 3.46Å; V97-F509 VanDerWaalsContact CG1-CD1 3.46Å; V97-F509 HydrophobicContact CG1-CD2 4.07Å; V97-F509 HydrophobicContact CG1-CE1 3.4Å; V97-F509 VanDerWaalsContact CG1-CE1 3.4Å; V97-F509 HydrophobicContact CG1-CE2 3.99Å; V97-F509 HydrophobicContact CG1-CG 3.79Å; V97-F509 HydrophobicContact CG1-CZ 3.64Å; V97-F509 HydrophobicContact CG2-CB 3.83Å; V97-F509 HydrophobicContact CG2-CD1 4.15Å; V97-F509 HydrophobicContact CG2-CD2 3.67Å; V97-F509 HydrophobicContact CG2-CE2 4.22Å; V97-F509 HydrophobicContact CG2-CG 3.59Å
98L98.6Very high98.3Very high0 Ų036.7 Ų36.70%020%0.195CC..  trans-136.336.5-161-77.1179.6000114.3M83 A96 V100 A101 I110 V112 W268M83-L98 WeakPolarHBondContact O-CD2 3.47Å; A96-L98 HydrophobicContact CB-CD1 4.12Å; A96-L98 HydrophobicContact CB-CG 4.26Å; L98-V100 HydrophobicContact CD2-CG2 4.16Å; L98-V100 PolarHBondContact O-N 3.39Å; L98-V100 VanDerWaalsContact O-N 3.1Å; L98-A101 HydrophobicContact CB-CB 4.07Å; L98-A101 VanDerWaalsContact O-CB 3.31Å; L98-A101 WeakPolarHBondContact O-CB 3.49Å; L98-A101 PolarHBondContact O-N 2.92Å; L98-I110 HydrophobicContact CD1-CG2 3.85Å; L98-I110 HydrophobicContact CD2-CG2 3.65Å; L98-I110 HydrophobicContact CG-CG2 4.41Å; L98-V112 HydrophobicContact CD1-CG2 3.3Å; L98-W268 HydrophobicContact CB-CB 4.46Å; L98-W268 HydrophobicContact CB-CD2 3.74Å; L98-W268 HydrophobicContact CB-CE3 3.32Å; L98-W268 HydrophobicContact CB-CG 4.26Å; L98-W268 HydrophobicContact CB-CH2 4.46Å; L98-W268 HydrophobicContact CB-CZ3 3.73Å; L98-W268 HydrophobicContact CD1-CD2 4.41Å; L98-W268 PolarHBondContact N-O 2.65Å; L98-W268 WeakPolarHBondContact O-CZ3 3.43Å
99H98.8Very high98.3Very high3 Ų336.4 Ų36.41%0.01420%0.203CC..Hα-helixtrans-57.1-25.4169.850.9-86.4000112.5A101 L102 F273 E494H99-A101 VanDerWaalsContact C-N 3.31Å; H99-A101 PolarHBondContact O-N 3.49Å; H99-L102 HydrophobicContact CB-CD1 4.49Å; H99-L102 WeakPolarHBondContact O-CB 3.42Å; H99-L102 PolarHBondContact O-N 2.96Å; H99-F273 HydrophobicContact CB-CB 3.81Å; H99-F273 AromaticContact ND1-CG 3.97Å; H99-E494 IonicContact CD2-OE2 3.76Å
100V98.9Very high98.3Very high4 Ų435.8 Ų35.82%0.02420%0.199CC..Hα-helixtrans-64.2-29.3170.5-590000113.7M83 F84 L98 R103 N104M83-V100 HydrophobicContact CE-CG1 4.33Å; F84-V100 HydrophobicContact CD1-CB 4.24Å; F84-V100 HydrophobicContact CD1-CG1 4.42Å; F84-V100 HydrophobicContact CD1-CG2 3.91Å; F84-V100 HydrophobicContact CE1-CB 3.91Å; F84-V100 HydrophobicContact CE1-CG1 3.8Å; F84-V100 HydrophobicContact CE1-CG2 4.09Å; F84-V100 HydrophobicContact CG-CG2 4.5Å; F84-V100 HydrophobicContact CZ-CG1 3.9Å; L98-V100 HydrophobicContact CD2-CG2 4.16Å; L98-V100 PolarHBondContact O-N 3.39Å; L98-V100 VanDerWaalsContact O-N 3.1Å; V100-R103 PolarHBondContact O-N 3.14Å; V100-N104 PolarHBondContact O-N 2.97Å; V100-N104 VanDerWaalsContact O-N 3.12Å
101A98.8Very high98.3Very high0 Ų039 Ų390%022%0.219CC..Hα-helixtrans-69.8-35.3177.300000111.7L98 H99 R103 N104 I110 V117 M118 W268L98-A101 HydrophobicContact CB-CB 4.07Å; L98-A101 VanDerWaalsContact O-CB 3.31Å; L98-A101 WeakPolarHBondContact O-CB 3.49Å; L98-A101 PolarHBondContact O-N 2.92Å; H99-A101 VanDerWaalsContact C-N 3.31Å; H99-A101 PolarHBondContact O-N 3.49Å; A101-R103 PolarHBondContact O-N 3Å; A101-R103 VanDerWaalsContact O-N 3.11Å; A101-N104 WeakPolarHBondContact O-CB 3.3Å; A101-N104 PolarHBondContact O-N 2.99Å; A101-N104 VanDerWaalsContact O-N 3.15Å; A101-I110 HydrophobicContact CB-CD1 3.86Å; A101-V117 HydrophobicContact CB-CG2 3.86Å; A101-M118 HydrophobicContact CB-SD 4.2Å; A101-M118 WeakPolarHBondContact O-CE 3.28Å; A101-W268 HydrophobicContact CB-CH2 4.17Å; A101-W268 HydrophobicContact CB-CZ3 4.36Å
102L98.8Very high98.3Very high4 Ų435.8 Ų35.82%0.02121%0.207CC..Hα-helixtrans-60.2-25.1179.2-56.9173.7000113.2H99 V121 W266 W268 V269 W276H99-L102 HydrophobicContact CB-CD1 4.49Å; H99-L102 WeakPolarHBondContact O-CB 3.42Å; H99-L102 PolarHBondContact O-N 2.96Å; L102-V121 HydrophobicContact CD2-CG2 4.4Å; L102-W266 HydrophobicContact CD2-CE3 4.09Å; L102-W266 HydrophobicContact CD2-CZ3 3.68Å; L102-W268 HydrophobicContact CD1-CZ3 4.48Å; L102-W268 HydrophobicContact CD2-CH2 3.62Å; L102-W268 HydrophobicContact CD2-CZ3 3.66Å; L102-W268 HydrophobicContact CG-CH2 4.23Å; L102-W268 HydrophobicContact CG-CZ3 3.85Å; L102-V269 HydrophobicContact CD1-CG1 3.98Å; L102-V269 HydrophobicContact CD1-CG2 4Å; L102-V269 HydrophobicContact CD2-CG2 4.06Å; L102-V269 HydrophobicContact CG-CG2 4.43Å; L102-W276 HydrophobicContact CB-CB 3.76Å; L102-W276 HydrophobicContact CD1-CB 3.9Å
103R98.8Very high98.1Very high0 Ų039.2 Ų39.20%022%0.223CC..THydrogen-bonded Turntrans-119.613.1-178.470.1-148.8-168.1-175.6-12.2112.6V100 A101 R105 W276 L296 A299 H300 D303 E494V100-R103 PolarHBondContact O-N 3.14Å; A101-R103 PolarHBondContact O-N 3Å; A101-R103 VanDerWaalsContact O-N 3.11Å; R103-R105 WeakPolarHBondContact O-CD 3.32Å; R103-R105 WeakPolarHBondContact O-CG 3.35Å; R103-R105 PolarHBondContact O-N 3.39Å; R103-W276 VanDerWaalsContact NH1-NE1 3.2Å; R103-L296 HydrophobicContact CB-CB 4Å; R103-L296 HydrophobicContact CB-CD2 4.13Å; R103-A299 VanDerWaalsContact CD-CB 3.46Å; R103-A299 HydrophobicContact CG-CB 4.22Å; R103-H300 WeakPolarHBondContact O-CB 3.48Å; R103-H300 PolarHBondContact O-ND1 3.15Å; R103-D303 VanDerWaalsContact CG-OD2 3.31Å; R103-D303 WeakPolarHBondContact CG-OD2 3.23Å; R103-D303 IonicContact CZ-OD1 3.2Å; R103-D303 IonicContact CZ-OD2 3Å; R103-D303 IonicContact NE-OD1 3.95Å; R103-D303 PolarHBondContact NE-OD1 2.79Å; R103-D303 IonicContact NE-OD2 2.64Å; R103-D303 PolarHBondContact NE-OD2 3.41Å; R103-D303 IonicContact NH2-OD1 3.74Å; R103-D303 PolarHBondContact NH2-OD1 3.46Å; R103-D303 IonicContact NH2-OD2 3.32Å; R103-E494 IonicContact CZ-OE2 3.6Å; R103-E494 IonicContact NH1-OE1 2.88Å; R103-E494 IonicContact NH1-OE2 2.87Å; R103-E494 PolarHBondContact NH1-OE2 3.15Å; R103-E494 IonicContact NH2-OE2 2.74Å; R103-E494 PolarHBondContact NH2-OE2 2.9Å
104N98.8Very high98.1Very high12 Ų1240.4 Ų40.46%0.06425%0.249CC..  trans-70.689.5179.3175.221000111.3V100 A101 S106 N107 T108 I110 M118 H300V100-N104 PolarHBondContact O-N 2.97Å; V100-N104 VanDerWaalsContact O-N 3.12Å; A101-N104 WeakPolarHBondContact O-CB 3.3Å; A101-N104 PolarHBondContact O-N 2.99Å; A101-N104 VanDerWaalsContact O-N 3.15Å; N104-S106 PolarHBondContact O-N 3.09Å; N104-S106 PolarHBondContact OD1-N 2.87Å; N104-S106 PolarHBondContact OD1-OG 2.82Å; N104-N107 PolarHBondContact O-N 3.03Å; N104-T108 PolarHBondContact ND2-O 3.32Å; N104-I110 HydrophobicContact CB-CD1 4.44Å; N104-M118 HydrophobicContact CB-CE 3.72Å; N104-M118 HydrophobicContact CB-SD 3.81Å; N104-M118 PolarHBondContact ND2-SD 2.8Å; N104-M118 VanDerWaalsContact ND2-SD 3.38Å; N104-M118 WeakPolarHBondContact O-CE 3.22Å; N104-H300 PolarHBondContact OD1-CE1 3.31Å
105R98.5Very high98.1Very high78 Ų7844.9 Ų44.929%0.29426%0.257SS..THydrogen-bonded Turntrans-73.4-16.9-177-49.6-50.6-64.9174.1-3.7113.3R103 N107 E293 H300R103-R105 WeakPolarHBondContact O-CD 3.32Å; R103-R105 WeakPolarHBondContact O-CG 3.35Å; R103-R105 PolarHBondContact O-N 3.39Å; R105-N107 VanDerWaalsContact C-N 3.26Å; R105-E293 IonicContact CZ-OE1 2.85Å; R105-E293 IonicContact NH1-OE1 2.79Å; R105-E293 IonicContact NH2-OE1 2.7Å; R105-E293 PolarHBondContact NH2-OE1 3.22Å; R105-H300 HydrophobicContact CG-CB 3.85Å
106S98.1Very high98.1Very high63 Ų6343.5 Ų43.544%0.44126%0.255SS..THydrogen-bonded Turntrans-73.5-18.4174.5780000113.3N104 T108 H300N104-S106 PolarHBondContact O-N 3.09Å; N104-S106 PolarHBondContact OD1-N 2.87Å; N104-S106 PolarHBondContact OD1-OG 2.82Å; S106-T108 PolarHBondContact O-N 3.32Å; S106-T108 WeakPolarHBondContact OG-CB 3.29Å; S106-T108 PolarHBondContact OG-N 3.44Å; S106-T108 PolarHBondContact OG-OG1 2.51Å; S106-H300 PolarHBondContact N-NE2 2.94Å
107N98.4Very high98.1Very high79 Ų7944.1 Ų44.142%0.42226%0.258SS..  trans53.320.7-171.3-71.2-47.4000114.5N104 R105 M118 N122N104-N107 PolarHBondContact O-N 3.03Å; R105-N107 VanDerWaalsContact C-N 3.26Å; N107-M118 WeakPolarHBondContact OD1-CE 3.4Å; N107-N122 PolarHBondContact OD1-ND2 3.11Å
108T98.1Very high98.1Very high82 Ų8244.1 Ų44.150%0.50326%0.258SS..  trans-58.7130169.1-54.90000108.4N104 S106N104-T108 PolarHBondContact ND2-O 3.32Å; S106-T108 PolarHBondContact O-N 3.32Å; S106-T108 WeakPolarHBondContact OG-CB 3.29Å; S106-T108 PolarHBondContact OG-N 3.44Å; S106-T108 PolarHBondContact OG-OG1 2.51Å
109P98.5Very high98.1Very high87 Ų8747.7 Ų47.757%0.56528%0.281SS*.  trans-55.5139.1-177-29.236.3000113D116P109-D116 WeakPolarHBondContact CA-OD1 3.24Å; P109-D116 HydrophobicContact CB-CB 4.33Å
110I98.3Very high98.1Very high14 Ų1450.2 Ų50.27%0.07229%0.293CS..  trans-129117.9172.1-59.2174.2000107.3L98 A101 N104 D116 V117 M118L98-I110 HydrophobicContact CD1-CG2 3.85Å; L98-I110 HydrophobicContact CD2-CG2 3.65Å; L98-I110 HydrophobicContact CG-CG2 4.41Å; A101-I110 HydrophobicContact CB-CD1 3.86Å; N104-I110 HydrophobicContact CB-CD1 4.44Å; I110-D116 PolarHBondContact N-OD1 2.82Å; I110-D116 WeakPolarHBondContact O-CA 3.31Å; I110-V117 HydrophobicContact CB-CG2 4.23Å; I110-V117 WeakPolarHBondContact O-CG2 3.43Å; I110-V117 PolarHBondContact O-N 2.81Å; I110-M118 HydrophobicContact CD1-SD 4.44Å
111T97.8Very high98.1Very high73 Ų7350.2 Ų50.245%0.44829%0.293SS..EExtended strand (participates in β ladder)trans-99.4131.9-17053.90000112.4K115T111-K115 CarbonylContact C-O 3.54Å; T111-K115 VanDerWaalsContact CA-O 3.32Å; T111-K115 WeakPolarHBondContact CA-O 3.29Å
112V97.4Very high98.1Very high22 Ų2252.8 Ų52.813%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-120.4127.5165.1179.40000107.7A96 L98 G114 K115 V117A96-V112 HydrophobicContact CB-CG1 4.34Å; A96-V112 HydrophobicContact CB-CG2 3.92Å; L98-V112 HydrophobicContact CD1-CG2 3.3Å; V112-G114 PolarHBondContact O-N 3.01Å; V112-G114 VanDerWaalsContact O-N 3.14Å; V112-K115 PolarHBondContact N-O 3.09Å; V112-K115 PolarHBondContact O-N 2.95Å; V112-V117 HydrophobicContact CB-CG1 4.05Å; V112-V117 HydrophobicContact CG2-CG1 3.77Å
113D95Very high98.1Very high129 Ų12958.5 Ų58.569%0.6933%0.332SS*.THydrogen-bonded Turntrans49.840.6-178.4-62.9-40.8000112.8K88 K115K88-D113 WeakPolarHBondContact CE-OD1 3.19Å; K88-D113 IonicContact NZ-OD1 3.37Å; K88-D113 PolarHBondContact NZ-OD1 3.11Å; K88-D113 IonicContact NZ-OD2 3.72Å; K88-D113 PolarHBondContact NZ-OD2 3.25Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 PolarHBondContact O-N 3.33Å
114G95.3Very high98.1Very high76 Ų7659 Ų5978%0.78434%0.335SS*.THydrogen-bonded Turntrans80.41.2177.900000115.8V112V112-G114 PolarHBondContact O-N 3.01Å; V112-G114 VanDerWaalsContact O-N 3.14Å
115K97.8Very high98.1Very high137 Ų13759 Ų5960%0.59634%0.335SS*.EExtended strand (participates in β ladder)trans-115.2130.9-179.4-174.6177.1176.7-1750111.5T111 V112 D113 V117T111-K115 CarbonylContact C-O 3.54Å; T111-K115 VanDerWaalsContact CA-O 3.32Å; T111-K115 WeakPolarHBondContact CA-O 3.29Å; V112-K115 PolarHBondContact N-O 3.09Å; V112-K115 PolarHBondContact O-N 2.95Å; D113-K115 VanDerWaalsContact C-N 3.33Å; D113-K115 PolarHBondContact O-N 3.33Å; K115-V117 PolarHBondContact O-N 2.94Å
116D98.5Very high98.1Very high43 Ų4361 Ų6123%0.2335%0.347CS..EExtended strand (participates in β ladder)trans-64.6129171.3-177.416.5000110.7P109 I110 M118P109-D116 WeakPolarHBondContact CA-OD1 3.24Å; P109-D116 HydrophobicContact CB-CB 4.33Å; I110-D116 PolarHBondContact N-OD1 2.82Å; I110-D116 WeakPolarHBondContact O-CA 3.31Å; D116-M118 WeakPolarHBondContact OD1-CG 3.39Å; D116-M118 PolarHBondContact OD1-N 2.75Å
117V98.6Very high98.1Very high16 Ų1661.4 Ų61.410%0.09734%0.341CS..SBendtrans-86.5-19.8-178.9-54.70000112.8A101 I110 V112 K115 P119 E120 V121 W268A101-V117 HydrophobicContact CB-CG2 3.86Å; I110-V117 HydrophobicContact CB-CG2 4.23Å; I110-V117 WeakPolarHBondContact O-CG2 3.43Å; I110-V117 PolarHBondContact O-N 2.81Å; V112-V117 HydrophobicContact CB-CG1 4.05Å; V112-V117 HydrophobicContact CG2-CG1 3.77Å; K115-V117 PolarHBondContact O-N 2.94Å; V117-P119 VanDerWaalsContact C-CD 3.5Å; V117-E120 PolarHBondContact O-N 3.39Å; V117-V121 WeakPolarHBondContact O-CG2 3.14Å; V117-V121 PolarHBondContact O-N 2.93Å; V117-V121 VanDerWaalsContact O-N 3.12Å; V117-W268 HydrophobicContact CB-CZ2 4.07Å; V117-W268 HydrophobicContact CG1-CZ2 4.36Å; V117-W268 HydrophobicContact CG2-CZ2 4.19Å
118M98.7Very high98.1Very high4 Ų457.6 Ų57.62%0.0232%0.321CS..Hα-helixtrans-59.4-38-173.6-66.3-51.3-52.800114.7A101 N104 N107 I110 D116 E120 V121 N122A101-M118 HydrophobicContact CB-SD 4.2Å; A101-M118 WeakPolarHBondContact O-CE 3.28Å; N104-M118 HydrophobicContact CB-CE 3.72Å; N104-M118 HydrophobicContact CB-SD 3.81Å; N104-M118 PolarHBondContact ND2-SD 2.8Å; N104-M118 VanDerWaalsContact ND2-SD 3.38Å; N104-M118 WeakPolarHBondContact O-CE 3.22Å; N107-M118 WeakPolarHBondContact OD1-CE 3.4Å; I110-M118 HydrophobicContact CD1-SD 4.44Å; D116-M118 WeakPolarHBondContact OD1-CG 3.39Å; D116-M118 PolarHBondContact OD1-N 2.75Å; M118-E120 PolarHBondContact O-N 2.83Å; M118-V121 HydrophobicContact CE-CB 4.47Å; M118-V121 HydrophobicContact CE-CG1 4.34Å; M118-V121 PolarHBondContact O-N 2.89Å; M118-N122 PolarHBondContact O-N 3.5Å; M118-N122 PolarHBondContact O-ND2 2.94Å
119P98.7Very high98.2Very high75 Ų7557.1 Ų57.149%0.48731%0.312SS..Hα-helixtrans-58.2-43.7176.3-27.636.4000113.4V117 N122 K123V117-P119 VanDerWaalsContact C-CD 3.5Å; P119-N122 PolarHBondContact O-N 2.82Å; P119-K123 WeakPolarHBondContact O-CB 3.33Å; P119-K123 PolarHBondContact O-N 2.82Å
120E98.4Very high98.2Very high56 Ų5654.5 Ų54.526%0.26230%0.301SS..Hα-helixtrans-74.6-34.8179.8-65.6-62.3140.500111.7V117 M118 N122 K123 V124 W266V117-E120 PolarHBondContact O-N 3.39Å; M118-E120 PolarHBondContact O-N 2.83Å; E120-N122 PolarHBondContact O-N 3.24Å; E120-K123 PolarHBondContact O-N 2.9Å; E120-K123 IonicContact OE2-NZ 3.3Å; E120-K123 PolarHBondContact OE2-NZ 2.84Å; E120-V124 WeakPolarHBondContact O-CG2 3.44Å; E120-V124 PolarHBondContact O-N 2.67Å; E120-W266 HydrophobicContact CB-CZ2 3.63Å
121V98.6Very high98.2Very high4 Ų454 Ų542%0.02430%0.298CS..Hα-helixtrans-54.4-53169.6172.10000110.8L102 V117 M118 K123 V124 L125 W266 W268L102-V121 HydrophobicContact CD2-CG2 4.4Å; V117-V121 WeakPolarHBondContact O-CG2 3.14Å; V117-V121 PolarHBondContact O-N 2.93Å; V117-V121 VanDerWaalsContact O-N 3.12Å; M118-V121 HydrophobicContact CE-CB 4.47Å; M118-V121 HydrophobicContact CE-CG1 4.34Å; M118-V121 PolarHBondContact O-N 2.89Å; V121-K123 PolarHBondContact O-N 3.02Å; V121-V124 PolarHBondContact O-N 2.88Å; V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 WeakPolarHBondContact O-CG 3.28Å; V121-L125 PolarHBondContact O-N 3.3Å; V121-W266 HydrophobicContact CB-CH2 4.28Å; V121-W266 HydrophobicContact CG2-CE3 4.47Å; V121-W266 HydrophobicContact CG2-CH2 3.81Å; V121-W266 HydrophobicContact CG2-CZ3 3.7Å; V121-W268 HydrophobicContact CG2-CH2 4Å; V121-W268 HydrophobicContact CG2-CZ2 4.4Å
122N98.8Very high98.2Very high55 Ų5550.6 Ų50.629%0.29428%0.277SS..Hα-helixtrans-67.5-36.2-177.9-71.3-35000112.7N107 M118 P119 E120 V124 L125 E126N107-N122 PolarHBondContact OD1-ND2 3.11Å; M118-N122 PolarHBondContact O-N 3.5Å; M118-N122 PolarHBondContact O-ND2 2.94Å; P119-N122 PolarHBondContact O-N 2.82Å; E120-N122 PolarHBondContact O-N 3.24Å; N122-V124 VanDerWaalsContact C-N 3.35Å; N122-V124 PolarHBondContact O-N 3.2Å; N122-L125 PolarHBondContact O-N 3.46Å; N122-E126 WeakPolarHBondContact O-CB 3.3Å; N122-E126 PolarHBondContact O-N 2.99Å
123K98.6Very high98.3Very high124 Ų12455 Ų5554%0.53930%0.296SS..Hα-helixtrans-60.2-44175179.6-175.1169-163.10111.8P119 E120 V121 E126 K127P119-K123 WeakPolarHBondContact O-CB 3.33Å; P119-K123 PolarHBondContact O-N 2.82Å; E120-K123 PolarHBondContact O-N 2.9Å; E120-K123 IonicContact OE2-NZ 3.3Å; E120-K123 PolarHBondContact OE2-NZ 2.84Å; V121-K123 PolarHBondContact O-N 3.02Å; K123-E126 PolarHBondContact O-N 2.98Å; K123-K127 WeakPolarHBondContact O-CB 3.41Å; K123-K127 PolarHBondContact O-N 3.05Å
124V98.6Very high98.5Very high11 Ų1153.8 Ų53.87%0.06728%0.281CS..Hα-helixtrans-66.8-43.6176.1173.50000110.8E120 V121 N122 E126 K127 M128 E264 W266 A278E120-V124 WeakPolarHBondContact O-CG2 3.44Å; E120-V124 PolarHBondContact O-N 2.67Å; V121-V124 PolarHBondContact O-N 2.88Å; N122-V124 VanDerWaalsContact C-N 3.35Å; N122-V124 PolarHBondContact O-N 3.2Å; V124-E126 VanDerWaalsContact C-N 3.33Å; V124-E126 PolarHBondContact O-N 2.75Å; V124-K127 WeakPolarHBondContact O-CB 3.42Å; V124-K127 PolarHBondContact O-N 2.91Å; V124-M128 HydrophobicContact CG1-CG 4.32Å; V124-M128 HydrophobicContact CG1-SD 4.09Å; V124-M128 VanDerWaalsContact O-CG 3.26Å; V124-M128 WeakPolarHBondContact O-CG 3.38Å; V124-M128 PolarHBondContact O-N 2.99Å; V124-E264 WeakPolarHBondContact CG1-O 3.47Å; V124-E264 HydrophobicContact CG2-CB 4.33Å; V124-W266 HydrophobicContact CG2-CH2 4.12Å; V124-W266 HydrophobicContact CG2-CZ2 4.29Å; V124-A278 HydrophobicContact CG1-CB 4.17Å
125L98.8Very high98.6Very high12 Ų1250.3 Ų50.36%0.06325%0.245CC..Hα-helixtrans-59-43.1176.2-72.4175.1000112V121 N122 M128 K129 F289 F292 L296V121-L125 HydrophobicContact CG1-CD1 4.09Å; V121-L125 WeakPolarHBondContact O-CG 3.28Å; V121-L125 PolarHBondContact O-N 3.3Å; N122-L125 PolarHBondContact O-N 3.46Å; L125-M128 HydrophobicContact CD2-SD 4.18Å; L125-M128 WeakPolarHBondContact O-CB 3.39Å; L125-M128 PolarHBondContact O-N 3.42Å; L125-K129 PolarHBondContact O-N 2.73Å; L125-F289 HydrophobicContact CB-CZ 4.15Å; L125-F289 HydrophobicContact CD2-CZ 4.24Å; L125-F289 WeakPolarHBondContact O-CE2 3.33Å; L125-F289 WeakPolarHBondContact O-CZ 3.38Å; L125-F292 HydrophobicContact CD2-CE1 3.98Å; L125-L296 HydrophobicContact CD1-CD1 4.13Å; L125-L296 HydrophobicContact CD2-CD1 3.94Å
126E98.8Very high98.7Very high118 Ų11847.2 Ų47.255%0.55123%0.23SC*.Hα-helixtrans-66.4-40.4177-171.954.8-142.300111.7N122 K123 V124 M128 K129 G130N122-E126 WeakPolarHBondContact O-CB 3.3Å; N122-E126 PolarHBondContact O-N 2.99Å; K123-E126 PolarHBondContact O-N 2.98Å; V124-E126 VanDerWaalsContact C-N 3.33Å; V124-E126 PolarHBondContact O-N 2.75Å; E126-M128 VanDerWaalsContact C-N 3.31Å; E126-M128 PolarHBondContact O-N 3.29Å; E126-K129 WeakPolarHBondContact O-CB 3.31Å; E126-K129 PolarHBondContact O-N 2.95Å; E126-G130 PolarHBondContact O-N 3.23Å
127K98.6Very high98.7Very high72 Ų7248 Ų4831%0.31324%0.239SC..Hα-helixtrans-58.9-43.9172.4-169.1-176.8177.9168.60111.3K123 V124 F131 E260 M262 F263K123-K127 WeakPolarHBondContact O-CB 3.41Å; K123-K127 PolarHBondContact O-N 3.05Å; V124-K127 WeakPolarHBondContact O-CB 3.42Å; V124-K127 PolarHBondContact O-N 2.91Å; K127-F131 WeakPolarHBondContact O-CB 3.36Å; K127-F131 PolarHBondContact O-N 2.88Å; K127-E260 WeakPolarHBondContact CE-O 3.11Å; K127-E260 PolarHBondContact NZ-O 3.31Å; K127-M262 PolarHBondContact NZ-O 3.04Å; K127-F263 HydrophobicContact CB-CD1 4.48Å; K127-F263 HydrophobicContact CB-CE1 4.37Å; K127-F263 HydrophobicContact CD-CD1 3.99Å; K127-F263 HydrophobicContact CD-CE1 4.02Å; K127-F263 HydrophobicContact CG-CD1 4.05Å; K127-F263 HydrophobicContact CG-CE1 3.71Å
128M98.8Very high98.6Very high0 Ų047.9 Ų47.90%024%0.24CC..Hα-helixtrans-61.7-43.5175.2-68.1169.268.600111.3V124 L125 E126 F131 C132 F263 M281 F289 F292V124-M128 HydrophobicContact CG1-CG 4.32Å; V124-M128 HydrophobicContact CG1-SD 4.09Å; V124-M128 VanDerWaalsContact O-CG 3.26Å; V124-M128 WeakPolarHBondContact O-CG 3.38Å; V124-M128 PolarHBondContact O-N 2.99Å; L125-M128 HydrophobicContact CD2-SD 4.18Å; L125-M128 WeakPolarHBondContact O-CB 3.39Å; L125-M128 PolarHBondContact O-N 3.42Å; E126-M128 VanDerWaalsContact C-N 3.31Å; E126-M128 PolarHBondContact O-N 3.29Å; M128-F131 PolarHBondContact O-N 3.35Å; M128-C132 WeakPolarHBondContact O-CB 3.39Å; M128-C132 PolarHBondContact O-N 3.35Å; M128-C132 PolarHBondContact O-SG 3.09Å; M128-F263 HydrophobicContact CG-CD1 3.84Å; M128-F263 HydrophobicContact CG-CE1 4.34Å; M128-M281 HydrophobicContact CB-CE 4.03Å; M128-M281 HydrophobicContact CB-SD 4.46Å; M128-M281 HydrophobicContact CG-CE 3.62Å; M128-M281 HydrophobicContact CG-SD 4.45Å; M128-F289 HydrophobicContact CB-CE2 3.75Å; M128-F292 HydrophobicContact CE-CE1 3.86Å; M128-F292 HydrophobicContact CE-CZ 4.15Å
129K98.8Very high98.6Very high72 Ų7253.1 Ų53.131%0.31327%0.265SS..Hα-helixtrans-59.2-50.3178.1-171.6172.2-171.7161.40111.8L125 E126 F131 C132 H133 F289 E293L125-K129 PolarHBondContact O-N 2.73Å; E126-K129 WeakPolarHBondContact O-CB 3.31Å; E126-K129 PolarHBondContact O-N 2.95Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 3.43Å; K129-C132 PolarHBondContact O-N 2.92Å; K129-H133 PolarHBondContact O-N 3.23Å; K129-F289 HydrophobicContact CB-CD1 3.7Å; K129-F289 HydrophobicContact CB-CD2 3.97Å; K129-F289 HydrophobicContact CB-CE1 3.73Å; K129-F289 HydrophobicContact CB-CE2 4.02Å; K129-F289 HydrophobicContact CB-CG 3.82Å; K129-F289 HydrophobicContact CB-CZ 3.89Å; K129-F289 HydrophobicContact CD-CD1 3.62Å; K129-F289 HydrophobicContact CD-CE1 3.87Å; K129-F289 HydrophobicContact CD-CG 4.36Å; K129-F289 HydrophobicContact CG-CB 4.16Å; K129-F289 HydrophobicContact CG-CD1 3.54Å; K129-F289 HydrophobicContact CG-CD2 4.41Å; K129-F289 HydrophobicContact CG-CE1 3.99Å; K129-F289 HydrophobicContact CG-CG 3.77Å; K129-E293 IonicContact NZ-OE2 2.8Å
130G98.6Very high98.6Very high32 Ų3250.8 Ų50.833%0.3325%0.246SC..Hα-helixtrans-61.1-40.9176.800000112.8E126 H133 R134E126-G130 PolarHBondContact O-N 3.23Å; G130-H133 PolarHBondContact O-N 3.31Å; G130-R134 WeakPolarHBondContact O-CG 3.5Å; G130-R134 PolarHBondContact O-N 3.29Å; G130-R134 VanDerWaalsContact O-N 3.17Å
131F98.6Very high98.6Very high2 Ų252.7 Ų52.71%0.00925%0.254CS..Hα-helixtrans-65.5-46.5174.9-175.9-105.8000112.5K127 M128 K129 H133 R134 V135 W140 L204 V243 F263 M281 L285K127-F131 WeakPolarHBondContact O-CB 3.36Å; K127-F131 PolarHBondContact O-N 2.88Å; M128-F131 PolarHBondContact O-N 3.35Å; K129-F131 VanDerWaalsContact C-N 3.34Å; K129-F131 PolarHBondContact O-N 3.43Å; F131-H133 VanDerWaalsContact C-N 3.27Å; F131-H133 PolarHBondContact O-N 3.25Å; F131-R134 PolarHBondContact O-N 3.35Å; F131-V135 HydrophobicContact CD1-CG2 4.24Å; F131-V135 HydrophobicContact CD2-CG2 4.41Å; F131-V135 HydrophobicContact CE1-CG2 3.8Å; F131-V135 HydrophobicContact CE2-CG2 3.98Å; F131-V135 HydrophobicContact CZ-CG2 3.66Å; F131-V135 WeakPolarHBondContact O-CG2 3.38Å; F131-V135 PolarHBondContact O-N 3.22Å; F131-W140 HydrophobicContact CD2-CE3 4.18Å; F131-W140 HydrophobicContact CD2-CZ3 4.07Å; F131-W140 HydrophobicContact CE2-CD2 4.05Å; F131-W140 AromaticContact CE2-CE3 3.8Å; F131-W140 HydrophobicContact CE2-CE3 3.8Å; F131-W140 AromaticContact CE2-CH2 3.85Å; F131-W140 HydrophobicContact CE2-CH2 3.85Å; F131-W140 HydrophobicContact CE2-CZ2 4.09Å; F131-W140 AromaticContact CE2-CZ3 3.71Å; F131-W140 HydrophobicContact CE2-CZ3 3.71Å; F131-L204 HydrophobicContact CE1-CD2 3.89Å; F131-L204 HydrophobicContact CZ-CD1 4.46Å; F131-L204 HydrophobicContact CZ-CD2 3.61Å; F131-V243 HydrophobicContact CE1-CG1 4.45Å; F131-V243 HydrophobicContact CE2-CG1 4.04Å; F131-V243 HydrophobicContact CZ-CG1 3.67Å; F131-F263 HydrophobicContact CB-CE1 3.99Å; F131-F263 HydrophobicContact CB-CZ 3.71Å; F131-F263 HydrophobicContact CD1-CE2 4.47Å; F131-F263 AromaticContact CD1-CZ 3.94Å; F131-F263 HydrophobicContact CD1-CZ 3.94Å; F131-F263 HydrophobicContact CD2-CZ 4.06Å; F131-F263 HydrophobicContact CG-CE1 4.37Å; F131-F263 HydrophobicContact CG-CE2 4.46Å; F131-F263 AromaticContact CG-CZ 3.63Å; F131-F263 HydrophobicContact CG-CZ 3.63Å; F131-M281 HydrophobicContact CD1-CE 3.89Å; F131-M281 HydrophobicContact CD1-SD 3.7Å; F131-M281 HydrophobicContact CE1-SD 4.29Å; F131-L285 HydrophobicContact CD1-CD2 4.45Å; F131-L285 HydrophobicContact CE1-CD1 4.19Å; F131-L285 HydrophobicContact CE1-CD2 4.41Å
132C98.7Very high98.6Very high2 Ų252.6 Ų52.61%0.01425%0.253CS..Hα-helixtrans-58.8-41177.4-72.40000111.7M128 K129 R136 A284 L285M128-C132 WeakPolarHBondContact O-CB 3.39Å; M128-C132 PolarHBondContact O-N 3.35Å; M128-C132 PolarHBondContact O-SG 3.09Å; K129-C132 PolarHBondContact O-N 2.92Å; C132-R136 VanDerWaalsContact O-CB 3.26Å; C132-R136 WeakPolarHBondContact O-CB 3.42Å; C132-R136 VanDerWaalsContact O-CG 3.25Å; C132-R136 WeakPolarHBondContact O-CG 3.36Å; C132-R136 PolarHBondContact O-N 3.32Å; C132-A284 VanDerWaalsContact SG-CB 3.6Å; C132-L285 HydrophobicContact CB-CD2 4.33Å
133H98.6Very high98.5Very high114 Ų11453.1 Ų53.153%0.52825%0.251SS..Hα-helixtrans-58.4-55175.1-179.771.4000111K129 G130 F131 V135 R136 S137 E139K129-H133 PolarHBondContact O-N 3.23Å; G130-H133 PolarHBondContact O-N 3.31Å; F131-H133 VanDerWaalsContact C-N 3.27Å; F131-H133 PolarHBondContact O-N 3.25Å; H133-V135 VanDerWaalsContact C-N 3.32Å; H133-V135 PolarHBondContact O-N 2.9Å; H133-R136 PolarHBondContact O-N 3.12Å; H133-S137 VanDerWaalsContact O-CB 3.3Å; H133-S137 WeakPolarHBondContact O-CB 3.38Å; H133-S137 PolarHBondContact O-N 3.41Å; H133-S137 PolarHBondContact O-OG 3.14Å; H133-E139 IonicContact NE2-OE1 3.56Å
134R98.7Very high98.5Very high104 Ų10450.1 Ų50.139%0.39224%0.244SC..Hα-helixtrans-57.9-42.5-178.6-69.3-172.4-63.4177.9-0.9112.7G130 F131 S137 G138 E139 W140G130-R134 WeakPolarHBondContact O-CG 3.5Å; G130-R134 PolarHBondContact O-N 3.29Å; G130-R134 VanDerWaalsContact O-N 3.17Å; F131-R134 PolarHBondContact O-N 3.35Å; R134-S137 PolarHBondContact O-OG 2.93Å; R134-G138 PolarHBondContact O-N 2.95Å; R134-E139 HydrophobicContact CB-CB 4.36Å; R134-E139 PolarHBondContact O-N 3.36Å; R134-W140 HydrophobicContact CB-CB 4.18Å; R134-W140 PolarHBondContact O-N 2.7Å
135V98.7Very high98.5Very high4 Ų451.6 Ų51.62%0.02426%0.261CS..Hα-helixtrans-69.2-49.4179.6176.80000111.1F131 H133 G138 W140 I148 L204 L285F131-V135 HydrophobicContact CD1-CG2 4.24Å; F131-V135 HydrophobicContact CD2-CG2 4.41Å; F131-V135 HydrophobicContact CE1-CG2 3.8Å; F131-V135 HydrophobicContact CE2-CG2 3.98Å; F131-V135 HydrophobicContact CZ-CG2 3.66Å; F131-V135 WeakPolarHBondContact O-CG2 3.38Å; F131-V135 PolarHBondContact O-N 3.22Å; H133-V135 VanDerWaalsContact C-N 3.32Å; H133-V135 PolarHBondContact O-N 2.9Å; V135-G138 PolarHBondContact O-N 3.41Å; V135-G138 VanDerWaalsContact O-N 3.17Å; V135-W140 HydrophobicContact CB-CB 4.49Å; V135-W140 HydrophobicContact CG2-CB 3.92Å; V135-W140 HydrophobicContact CG2-CD2 4.49Å; V135-W140 HydrophobicContact CG2-CG 4.02Å; V135-I148 HydrophobicContact CG1-CB 4.11Å; V135-I148 HydrophobicContact CG1-CG2 4.2Å; V135-L204 HydrophobicContact CG2-CD2 4.16Å; V135-L285 HydrophobicContact CB-CD2 3.6Å; V135-L285 HydrophobicContact CG1-CD2 3.72Å; V135-L285 HydrophobicContact CG2-CD2 4.05Å
136R98.6Very high98.5Very high72 Ų7255.6 Ų55.627%0.27228%0.278SS..Hα-helixtrans-71-31.6-176.3-67.5172.659.785.24.1113.4C132 H133 G138 K175 L285 H286C132-R136 VanDerWaalsContact O-CB 3.26Å; C132-R136 WeakPolarHBondContact O-CB 3.42Å; C132-R136 VanDerWaalsContact O-CG 3.25Å; C132-R136 WeakPolarHBondContact O-CG 3.36Å; C132-R136 PolarHBondContact O-N 3.32Å; H133-R136 PolarHBondContact O-N 3.12Å; R136-G138 PolarHBondContact O-N 2.83Å; R136-K175 PolarHBondContact NH2-O 3.46Å; R136-L285 WeakPolarHBondContact CD-O 3.28Å; R136-L285 PolarHBondContact NH1-O 2.93Å; R136-H286 PolarHBondContact NH1-O 3.38Å
137S98.6Very high98.5Very high60 Ų6051.7 Ų51.742%0.4227%0.266SS..Hα-helixtrans-74.1-16.2173.871.20000112.4H133 R134 E139H133-S137 VanDerWaalsContact O-CB 3.3Å; H133-S137 WeakPolarHBondContact O-CB 3.38Å; H133-S137 PolarHBondContact O-N 3.41Å; H133-S137 PolarHBondContact O-OG 3.14Å; R134-S137 PolarHBondContact O-OG 2.93Å; S137-E139 VanDerWaalsContact C-N 3.32Å; S137-E139 VanDerWaalsContact OG-CD 3.27Å; S137-E139 VanDerWaalsContact OG-CG 3.26Å; S137-E139 WeakPolarHBondContact OG-CG 3.19Å; S137-E139 PolarHBondContact OG-N 2.97Å; S137-E139 PolarHBondContact OG-OE1 2.78Å
138G98.4Very high98.5Very high12 Ų1248.9 Ų48.912%0.12425%0.254CS..THydrogen-bonded Turntrans79.311.3-174.100000113.6R134 V135 R136 W140 K141R134-G138 PolarHBondContact O-N 2.95Å; V135-G138 PolarHBondContact O-N 3.41Å; V135-G138 VanDerWaalsContact O-N 3.17Å; R136-G138 PolarHBondContact O-N 2.83Å; G138-W140 VanDerWaalsContact C-N 3.33Å; G138-K141 VanDerWaalsContact O-CD 3.24Å; G138-K141 WeakPolarHBondContact O-CD 3.08Å; G138-K141 WeakPolarHBondContact O-CE 3.23Å; G138-K141 PolarHBondContact O-NZ 3.37Å
139E98.6Very high98.5Very high115 Ų11551.9 Ų51.954%0.53727%0.273SS..  trans-65.7-37.3170.3-76.6165.8-145.400112H133 R134 S137 K141H133-E139 IonicContact NE2-OE1 3.56Å; R134-E139 HydrophobicContact CB-CB 4.36Å; R134-E139 PolarHBondContact O-N 3.36Å; S137-E139 VanDerWaalsContact C-N 3.32Å; S137-E139 VanDerWaalsContact OG-CD 3.27Å; S137-E139 VanDerWaalsContact OG-CG 3.26Å; S137-E139 WeakPolarHBondContact OG-CG 3.19Å; S137-E139 PolarHBondContact OG-N 2.97Å; S137-E139 PolarHBondContact OG-OE1 2.78Å; E139-K141 PolarHBondContact O-N 3.25Å
140W98.4Very high98.5Very high26 Ų2649.1 Ų49.110%0.09826%0.262CS..SBendtrans-69.5113.4171.6-170.7-80.1000109.2F131 R134 V135 G138 K240F131-W140 HydrophobicContact CD2-CE3 4.18Å; F131-W140 HydrophobicContact CD2-CZ3 4.07Å; F131-W140 HydrophobicContact CE2-CD2 4.05Å; F131-W140 AromaticContact CE2-CE3 3.8Å; F131-W140 HydrophobicContact CE2-CE3 3.8Å; F131-W140 AromaticContact CE2-CH2 3.85Å; F131-W140 HydrophobicContact CE2-CH2 3.85Å; F131-W140 HydrophobicContact CE2-CZ2 4.09Å; F131-W140 AromaticContact CE2-CZ3 3.71Å; F131-W140 HydrophobicContact CE2-CZ3 3.71Å; R134-W140 HydrophobicContact CB-CB 4.18Å; R134-W140 PolarHBondContact O-N 2.7Å; V135-W140 HydrophobicContact CB-CB 4.49Å; V135-W140 HydrophobicContact CG2-CB 3.92Å; V135-W140 HydrophobicContact CG2-CD2 4.49Å; V135-W140 HydrophobicContact CG2-CG 4.02Å; G138-W140 VanDerWaalsContact C-N 3.33Å; W140-K240 PolarHBondContact NE1-O 3.4Å
141K98.4Very high98.5Very high96 Ų9647.7 Ų47.742%0.41725%0.246SC..BIsolated β-bridgetrans-102.6140.1-179.2-57.2-48-165.6177.90111.6G138 E139 G145 K146G138-K141 VanDerWaalsContact O-CD 3.24Å; G138-K141 WeakPolarHBondContact O-CD 3.08Å; G138-K141 WeakPolarHBondContact O-CE 3.23Å; G138-K141 PolarHBondContact O-NZ 3.37Å; E139-K141 PolarHBondContact O-N 3.25Å; K141-G145 VanDerWaalsContact CD-O 3.24Å; K141-G145 WeakPolarHBondContact CD-O 3.1Å; K141-K146 CarbonylContact C-O 3.56Å; K141-K146 WeakPolarHBondContact CA-O 3.13Å
142G97.9Very high98.5Very high1 Ų147.6 Ų47.61%0.0125%0.246CC..  trans-65.9179.7163.900000112.3T144 G145 K146 H241G142-T144 PolarHBondContact O-N 2.73Å; G142-T144 VanDerWaalsContact O-N 3.14Å; G142-G145 PolarHBondContact O-N 3.28Å; G142-K146 PolarHBondContact N-O 3.49Å; G142-H241 WeakPolarHBondContact CA-NE2 3.38Å
143Y97.7Very high98.5Very high66 Ų6647.5 Ų47.526%0.25925%0.245SC..THydrogen-bonded Turntrans-64-23-172.379.7-84.5000113.7E201 F228 A232 A237 H241Y143-E201 HydrophobicContact CE1-CB 4.29Å; Y143-E201 HydrophobicContact CE1-CG 3.89Å; Y143-F228 AromaticContact CD1-CE2 3.91Å; Y143-F228 HydrophobicContact CD1-CE2 3.91Å; Y143-F228 HydrophobicContact CD1-CZ 4.19Å; Y143-F228 HydrophobicContact CE1-CE2 4.25Å; Y143-A232 HydrophobicContact CD1-CB 4.31Å; Y143-A232 HydrophobicContact CD2-CB 4.16Å; Y143-A232 HydrophobicContact CE1-CB 4.22Å; Y143-A232 HydrophobicContact CE2-CB 4.07Å; Y143-A232 HydrophobicContact CG-CB 4.28Å; Y143-A237 HydrophobicContact CG-CB 4.5Å; Y143-H241 AromaticContact CD1-NE2 3.52Å; Y143-H241 PolarHBondContact N-NE2 2.87Å
144T97.9Very high98.5Very high62 Ų6242 Ų4238%0.3822%0.22SC..THydrogen-bonded Turntrans-96.74.4175.562.90000114.2G142 E201G142-T144 PolarHBondContact O-N 2.73Å; G142-T144 VanDerWaalsContact O-N 3.14Å; T144-E201 WeakPolarHBondContact CB-OE2 3.29Å; T144-E201 HydrophobicContact CG2-CB 4.38Å; T144-E201 HydrophobicContact CG2-CG 3.71Å; T144-E201 VanDerWaalsContact CG2-OE2 3.25Å; T144-E201 WeakPolarHBondContact CG2-OE2 3.44Å; T144-E201 PolarHBondContact OG1-OE2 2.88Å
145G97.9Very high98.5Very high42 Ų4237.1 Ų37.143%0.43320%0.201SC..SBendtrans88.2-0.5-179.300000115.1K141 G142K141-G145 VanDerWaalsContact CD-O 3.24Å; K141-G145 WeakPolarHBondContact CD-O 3.1Å; G142-G145 PolarHBondContact O-N 3.28Å
146K98.6Very high98.4Very high95 Ų9539.9 Ų39.941%0.41322%0.215SC..PPolyproline II helixtrans-76.3151175.5-66.1178.3-177.6162.40111.7K141 G142 E201 T202K141-K146 CarbonylContact C-O 3.56Å; K141-K146 WeakPolarHBondContact CA-O 3.13Å; G142-K146 PolarHBondContact N-O 3.49Å; K146-E201 HydrophobicContact CD-CB 4.17Å; K146-E201 WeakPolarHBondContact CD-OE2 3.33Å; K146-E201 WeakPolarHBondContact CE-OE2 3.32Å; K146-E201 IonicContact NZ-OE1 3.75Å; K146-E201 PolarHBondContact NZ-OE1 3.1Å; K146-E201 IonicContact NZ-OE2 3.64Å; K146-E201 PolarHBondContact NZ-OE2 2.93Å; K146-T202 HydrophobicContact CB-CG2 3.74Å; K146-T202 HydrophobicContact CD-CG2 4Å
147A98.6Very high98.3Very high36 Ų3637.5 Ų37.530%0.29821%0.213SC..BIsolated β-bridgetrans-72.5152.1172.800000110.9T202A147-T202 WeakPolarHBondContact O-CG2 3.31Å
148I98.8Very high98Very high13 Ų1335 Ų357%0.06720%0.198CC..PPolyproline II helixtrans-71.1131.5176.5-58.2-57.5000110.2V135 D150 V151 T202 L204V135-I148 HydrophobicContact CG1-CB 4.11Å; V135-I148 HydrophobicContact CG1-CG2 4.2Å; I148-D150 VanDerWaalsContact CG2-O 3.32Å; I148-D150 WeakPolarHBondContact CG2-O 3.27Å; I148-V151 HydrophobicContact CG2-CG2 4.32Å; I148-T202 CarbonylContact C-O 3.54Å; I148-T202 WeakPolarHBondContact CA-O 3.45Å; I148-T202 WeakPolarHBondContact CG2-O 3.19Å; I148-L204 HydrophobicContact CD1-CB 4.31Å; I148-L204 HydrophobicContact CG1-CB 4.35Å; I148-L204 HydrophobicContact CG2-CB 3.72Å
149T98.8Very high98Very high64 Ų6435.3 Ų35.339%0.39320%0.197SC..  trans-110.2-25.9176.6540000112.3P178 Q179 T202T149-P178 WeakPolarHBondContact O-CA 3.27Å; T149-P178 VanDerWaalsContact O-CB 3.3Å; T149-P178 WeakPolarHBondContact O-CB 3.4Å; T149-Q179 PolarHBondContact O-N 3.27Å; T149-T202 PolarHBondContact N-O 3.13Å; T149-T202 VanDerWaalsContact OG1-CB 3.25Å; T149-T202 WeakPolarHBondContact OG1-CB 3.46Å; T149-T202 PolarHBondContact OG1-O 3.23Å; T149-T202 PolarHBondContact OG1-OG1 3.22Å
150D98.9Very high98Very high14 Ų1430.2 Ų30.28%0.07517%0.174CC..EExtended strand (participates in β ladder)trans-132136-170.9-64.5-87.6000110.7I148 Q179 W181 L198 T202 T203 L204I148-D150 VanDerWaalsContact CG2-O 3.32Å; I148-D150 WeakPolarHBondContact CG2-O 3.27Å; D150-Q179 CarbonylContact C-O 3.24Å; D150-Q179 WeakPolarHBondContact OD1-CB 3.44Å; D150-W181 PolarHBondContact OD1-NE1 3.15Å; D150-L198 HydrophobicContact CB-CD2 3.64Å; D150-T202 PolarHBondContact N-O 3.25Å; D150-T203 HydrophobicContact CB-CG2 4.49Å; D150-T203 CarbonylContact O-C 3.6Å; D150-T203 WeakPolarHBondContact O-CA 3.3Å; D150-L204 PolarHBondContact O-N 3.03Å
151V98.9Very high98Very high1 Ų130.6 Ų30.61%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-121.5124.7176172.50000108.5I148 P178 Q179 V180 W181 L204 I206 L285I148-V151 HydrophobicContact CG2-CG2 4.32Å; V151-P178 HydrophobicContact CB-CG 4.46Å; V151-P178 HydrophobicContact CG2-CB 3.91Å; V151-P178 HydrophobicContact CG2-CG 3.55Å; V151-Q179 PolarHBondContact N-O 3.5Å; V151-V180 HydrophobicContact CB-CG1 4.24Å; V151-V180 CarbonylContact O-C 3.59Å; V151-V180 VanDerWaalsContact O-CA 3.31Å; V151-V180 WeakPolarHBondContact O-CA 3.34Å; V151-W181 PolarHBondContact O-N 2.77Å; V151-L204 CarbonylContact C-O 3.52Å; V151-L204 VanDerWaalsContact CA-O 3.28Å; V151-L204 WeakPolarHBondContact CA-O 3.15Å; V151-L204 HydrophobicContact CG2-CB 4.36Å; V151-L204 HydrophobicContact CG2-CD2 4.32Å; V151-I206 HydrophobicContact CG1-CD1 3.4Å; V151-I206 VanDerWaalsContact CG1-CD1 3.4Å; V151-I206 HydrophobicContact CG1-CG1 3.96Å; V151-L285 HydrophobicContact CG1-CD1 4.05Å; V151-L285 HydrophobicContact CG2-CD1 4.14Å
152V98.9Very high98Very high0 Ų026 Ų260%016%0.158CC..EExtended strand (participates in β ladder)trans-112.7111.1179.4-172.10000109.1V154 W181 V183 T194 L198 T203 L204 F205 I206V152-V154 HydrophobicContact CG1-CG2 4.12Å; V152-W181 CarbonylContact C-O 3.56Å; V152-W181 WeakPolarHBondContact CA-O 3.32Å; V152-W181 HydrophobicContact CB-CB 4.4Å; V152-W181 HydrophobicContact CG1-CB 4.24Å; V152-W181 HydrophobicContact CG2-CB 4.08Å; V152-W181 HydrophobicContact CG2-CG 4.38Å; V152-V183 HydrophobicContact CG1-CG2 3.86Å; V152-T194 HydrophobicContact CG1-CG2 4.34Å; V152-L198 HydrophobicContact CG2-CD1 3.45Å; V152-L198 VanDerWaalsContact CG2-CD1 3.45Å; V152-T203 HydrophobicContact CG2-CG2 3.69Å; V152-L204 PolarHBondContact N-O 3.47Å; V152-F205 HydrophobicContact CB-CD1 3.63Å; V152-F205 HydrophobicContact CB-CE1 3.83Å; V152-F205 HydrophobicContact CG1-CD1 4.02Å; V152-F205 HydrophobicContact CG1-CE1 4.06Å; V152-F205 HydrophobicContact CG2-CD1 4.12Å; V152-F205 HydrophobicContact CG2-CE1 3.85Å; V152-F205 HydrophobicContact CG2-CZ 4.49Å; V152-F205 WeakPolarHBondContact O-CA 3.49Å; V152-I206 PolarHBondContact O-N 3.36Å
153N98.9Very high98Very high0 Ų026 Ų260%016%0.158CC..EExtended strand (participates in β ladder)trans-82.3120.6170.2-174.586.5000109.6S159 W181 F182 V183 A282N153-S159 PolarHBondContact ND2-O 2.92Å; N153-W181 PolarHBondContact N-O 2.89Å; N153-F182 HydrophobicContact CB-CD1 3.75Å; N153-F182 HydrophobicContact CB-CE1 3.84Å; N153-V183 PolarHBondContact O-N 3.18Å; N153-A282 HydrophobicContact CB-CB 4.23Å
154V98.9Very high98.1Very high0 Ų024.5 Ų24.50%015%0.154CC..EExtended strand (participates in β ladder)trans-110.2109.5176.7-172.60000108.5V152 V183 F205 I206 I207 A208 T217 N220V152-V154 HydrophobicContact CG1-CG2 4.12Å; V154-V183 WeakPolarHBondContact CA-O 3.47Å; V154-V183 HydrophobicContact CG2-CB 4.46Å; V154-F205 HydrophobicContact CG2-CD1 4.33Å; V154-I206 PolarHBondContact N-O 3.01Å; V154-I207 HydrophobicContact CB-CD1 3.96Å; V154-I207 HydrophobicContact CG2-CD1 4.06Å; V154-A208 PolarHBondContact O-N 3.15Å; V154-T217 HydrophobicContact CG1-CG2 4.32Å; V154-T217 WeakPolarHBondContact O-CG2 3.39Å; V154-N220 HydrophobicContact CG1-CB 3.57Å
155G98.1Very high98.1Very high0 Ų021.7 Ų21.70%014%0.136CC..  trans-175.3162.4-174.800000110.8D160 V183 S184G155-D160 WeakPolarHBondContact O-CB 3.31Å; G155-V183 PolarHBondContact N-O 3.15Å; G155-V183 VanDerWaalsContact N-O 3.09Å; G155-S184 WeakPolarHBondContact O-CA 3.42Å; G155-S184 WeakPolarHBondContact O-CB 3.37Å
156I96.8Very high98.2Very high62 Ų6219.7 Ų19.732%0.31812%0.116SC..  trans-130.3153.1179.6-163.6168.6000111.3G158 S159 T214 E216I156-G158 PolarHBondContact O-N 3.26Å; I156-S159 PolarHBondContact O-N 2.66Å; I156-T214 HydrophobicContact CG2-CG2 3.78Å; I156-E216 HydrophobicContact CD1-CB 4.15Å; I156-E216 HydrophobicContact CD1-CG 4.15Å
157G95.4Very high98.2Very high22 Ų2215.1 Ų15.123%0.22710%0.096CC..G310 helixtrans61.5-118.7-179.900000111.5S159 D160 L161 Q353G157-S159 PolarHBondContact O-N 2.83Å; G157-D160 PolarHBondContact O-N 3.07Å; G157-L161 PolarHBondContact O-N 3.33Å; G157-Q353 VanDerWaalsContact C-OE1 3.25Å
158G93.8Very high98.2Very high9 Ų915.7 Ų15.79%0.0939%0.092CC..G310 helixtrans-66.4-23.6-176.900000114.2I156 D160 G271 S274I156-G158 PolarHBondContact O-N 3.26Å; G158-D160 PolarHBondContact O-N 2.85Å; G158-G271 CarbonylContact C-O 3.5Å; G158-G271 VanDerWaalsContact CA-O 3.26Å; G158-G271 WeakPolarHBondContact CA-O 3.49Å; G158-S274 PolarHBondContact O-OG 3.47Å
159S96.8Very high98.2Very high17 Ų1715.1 Ų15.112%0.1199%0.09CC..G310 helixtrans-80.41.9174.1-63.80000113.8N153 I156 G157 A208N153-S159 PolarHBondContact ND2-O 2.92Å; I156-S159 PolarHBondContact O-N 2.66Å; G157-S159 PolarHBondContact O-N 2.83Å; S159-A208 WeakPolarHBondContact CB-O 3.15Å; S159-A208 PolarHBondContact OG-O 2.65Å
160D98.6Very high98.2Very high9 Ų912 Ų125%0.0487%0.071CC..THydrogen-bonded Turntrans-130.2-58.9-174.4-178.556.9000112.1G155 G157 G158 G162 P163 L164 S184G155-D160 WeakPolarHBondContact O-CB 3.31Å; G157-D160 PolarHBondContact O-N 3.07Å; G158-D160 PolarHBondContact O-N 2.85Å; D160-G162 VanDerWaalsContact C-N 3.34Å; D160-G162 PolarHBondContact O-N 2.92Å; D160-P163 WeakPolarHBondContact O-CD 3.23Å; D160-L164 VanDerWaalsContact O-CB 3.31Å; D160-L164 WeakPolarHBondContact O-CB 3.39Å; D160-L164 PolarHBondContact O-N 3.46Å; D160-S184 VanDerWaalsContact CG-CB 3.45Å; D160-S184 VanDerWaalsContact OD2-CB 3.31Å; D160-S184 WeakPolarHBondContact OD2-CB 3.43Å; D160-S184 PolarHBondContact OD2-OG 2.93Å
161L98.4Very high98.2Very high33 Ų3314.2 Ų14.217%0.1738%0.08CC..Hα-helixtrans-61.1-39.3-167.9-72.5176.2000113.2G157 M165 Y350 Q353G157-L161 PolarHBondContact O-N 3.33Å; L161-M165 WeakPolarHBondContact O-CB 3.33Å; L161-M165 PolarHBondContact O-N 3.46Å; L161-Y350 HydrophobicContact CB-CD2 4.32Å; L161-Q353 HydrophobicContact CD1-CB 3.85Å
162G98.7Very high98.2Very high1 Ų116.3 Ų16.31%0.019%0.093CC..Hα-helixtrans-64.1-60.9176.900000112.2D160 L164 M165 V166D160-G162 VanDerWaalsContact C-N 3.34Å; D160-G162 PolarHBondContact O-N 2.92Å; G162-L164 VanDerWaalsContact C-N 3.33Å; G162-L164 PolarHBondContact O-N 2.8Å; G162-M165 PolarHBondContact O-N 2.99Å; G162-V166 WeakPolarHBondContact O-CG2 3.25Å; G162-V166 PolarHBondContact O-N 3.03Å
163P98.8Very high98.2Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-51.6-45174.4-32.239.2000114.6D160 T167 F182 I279 I283D160-P163 WeakPolarHBondContact O-CD 3.23Å; P163-T167 WeakPolarHBondContact O-CB 3.49Å; P163-T167 WeakPolarHBondContact O-CG2 3.3Å; P163-T167 PolarHBondContact O-N 2.82Å; P163-T167 PolarHBondContact O-OG1 3.25Å; P163-F182 HydrophobicContact CB-CE1 3.61Å; P163-F182 HydrophobicContact CB-CZ 4.28Å; P163-I279 HydrophobicContact CG-CG2 3.72Å; P163-I279 WeakPolarHBondContact CG-O 3.41Å; P163-I283 HydrophobicContact CB-CG1 4.3Å
164L98.9Very high98.2Very high35 Ų3520.1 Ų20.118%0.18311%0.112CC..Hα-helixtrans-61.3-53.2176.7172.661000111.3D160 G162 V166 T167 E168 F182 R346D160-L164 VanDerWaalsContact O-CB 3.31Å; D160-L164 WeakPolarHBondContact O-CB 3.39Å; D160-L164 PolarHBondContact O-N 3.46Å; G162-L164 VanDerWaalsContact C-N 3.33Å; G162-L164 PolarHBondContact O-N 2.8Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 3.41Å; L164-T167 PolarHBondContact O-N 2.82Å; L164-T167 PolarHBondContact O-OG1 3.49Å; L164-T167 VanDerWaalsContact O-OG1 3.09Å; L164-E168 HydrophobicContact CD1-CG 4.04Å; L164-E168 WeakPolarHBondContact O-CB 3.37Å; L164-E168 WeakPolarHBondContact O-CG 3.38Å; L164-E168 PolarHBondContact O-N 3.08Å; L164-F182 HydrophobicContact CB-CD1 4.01Å; L164-F182 HydrophobicContact CB-CD2 4.14Å; L164-F182 HydrophobicContact CB-CE1 4.24Å; L164-F182 HydrophobicContact CB-CE2 4.31Å; L164-F182 HydrophobicContact CB-CG 3.99Å; L164-F182 HydrophobicContact CB-CZ 4.37Å; L164-F182 HydrophobicContact CD1-CB 4.41Å; L164-F182 HydrophobicContact CD1-CD2 3.46Å; L164-F182 VanDerWaalsContact CD1-CD2 3.46Å; L164-F182 HydrophobicContact CD1-CE2 3.89Å; L164-F182 HydrophobicContact CD1-CG 3.96Å; L164-F182 HydrophobicContact CG-CD2 4.36Å; L164-F182 HydrophobicContact CG-CG 4.47Å; L164-R346 HydrophobicContact CG-CG 4.44Å
165M98.9Very high98.2Very high2 Ų229.5 Ų29.51%0.0115%0.153CC..Hα-helixtrans-60.5-44-177.7178.1-82.6-7000112.1L161 G162 E168 A169 R346 F347 Y350 L486 I490L161-M165 WeakPolarHBondContact O-CB 3.33Å; L161-M165 PolarHBondContact O-N 3.46Å; G162-M165 PolarHBondContact O-N 2.99Å; M165-E168 PolarHBondContact O-N 3.34Å; M165-A169 VanDerWaalsContact O-CB 3.24Å; M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.06Å; M165-A169 HydrophobicContact SD-CB 4.44Å; M165-R346 HydrophobicContact CB-CB 3.91Å; M165-R346 HydrophobicContact CG-CB 4.07Å; M165-F347 HydrophobicContact CE-CD2 4.44Å; M165-F347 HydrophobicContact SD-CD2 4.03Å; M165-Y350 HydrophobicContact CE-CD1 3.69Å; M165-Y350 HydrophobicContact CE-CD2 4.01Å; M165-Y350 HydrophobicContact CE-CE1 4.16Å; M165-Y350 HydrophobicContact CE-CE2 4.43Å; M165-Y350 HydrophobicContact CE-CG 3.6Å; M165-L486 HydrophobicContact SD-CD1 4.37Å; M165-I490 HydrophobicContact CE-CD1 3.71Å; M165-I490 HydrophobicContact CE-CG1 4.03Å
166V98.9Very high98.1Very high0 Ų032.4 Ų32.40%018%0.183CC..Hα-helixtrans-70.6-40.1-177.11760000111.8G162 L164 E168 A169 L170 L275 I283 L295 L486 I490G162-V166 WeakPolarHBondContact O-CG2 3.25Å; G162-V166 PolarHBondContact O-N 3.03Å; L164-V166 VanDerWaalsContact C-N 3.34Å; L164-V166 PolarHBondContact O-N 3.41Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 2.93Å; V166-A169 PolarHBondContact O-N 3.28Å; V166-L170 HydrophobicContact CG1-CD1 3.7Å; V166-L170 HydrophobicContact CG1-CG 4.31Å; V166-L170 WeakPolarHBondContact O-CB 3.49Å; V166-L170 WeakPolarHBondContact O-CG 3.5Å; V166-L170 PolarHBondContact O-N 2.84Å; V166-L275 HydrophobicContact CG2-CD1 4.37Å; V166-L275 HydrophobicContact CG2-CD2 4.13Å; V166-I283 HydrophobicContact CB-CD1 3.77Å; V166-I283 HydrophobicContact CB-CG1 4.09Å; V166-I283 HydrophobicContact CB-CG2 4.42Å; V166-I283 HydrophobicContact CG1-CB 4.48Å; V166-I283 HydrophobicContact CG1-CD1 3.88Å; V166-I283 HydrophobicContact CG1-CG1 4.12Å; V166-I283 HydrophobicContact CG1-CG2 3.55Å; V166-I283 HydrophobicContact CG2-CD1 4.13Å; V166-L295 HydrophobicContact CG1-CD2 3.82Å; V166-L486 HydrophobicContact CB-CD2 4.45Å; V166-L486 HydrophobicContact CG1-CD2 4.06Å; V166-L486 HydrophobicContact CG2-CD2 4.3Å; V166-I490 HydrophobicContact CG2-CD1 4.09Å
167T98.9Very high98.2Very high0 Ų030.7 Ų30.70%018%0.18CC..Hα-helixtrans-68.6-31.8177.552.30000112.8P163 L164 K171 V180 F182 I283 H286P163-T167 WeakPolarHBondContact O-CB 3.49Å; P163-T167 WeakPolarHBondContact O-CG2 3.3Å; P163-T167 PolarHBondContact O-N 2.82Å; P163-T167 PolarHBondContact O-OG1 3.25Å; L164-T167 PolarHBondContact O-N 2.82Å; L164-T167 PolarHBondContact O-OG1 3.49Å; L164-T167 VanDerWaalsContact O-OG1 3.09Å; T167-K171 PolarHBondContact O-N 3.05Å; T167-V180 HydrophobicContact CG2-CG2 4.16Å; T167-F182 HydrophobicContact CG2-CZ 4.18Å; T167-F182 VanDerWaalsContact OG1-CE2 3.29Å; T167-F182 WeakPolarHBondContact OG1-CE2 3.26Å; T167-F182 VanDerWaalsContact OG1-CZ 3.26Å; T167-F182 WeakPolarHBondContact OG1-CZ 3.32Å; T167-I283 HydrophobicContact CG2-CB 4.37Å; T167-I283 HydrophobicContact CG2-CG1 4.17Å; T167-H286 HydrophobicContact CG2-CB 3.99Å
168E98.9Very high98.3Very high47 Ų4730.2 Ų30.222%0.2217%0.173CC..Hα-helixtrans-68.9-49.6170-71.3-64.4101.200111.3L164 M165 V166 L170 K171 Y343 H345L164-E168 HydrophobicContact CD1-CG 4.04Å; L164-E168 WeakPolarHBondContact O-CB 3.37Å; L164-E168 WeakPolarHBondContact O-CG 3.38Å; L164-E168 PolarHBondContact O-N 3.08Å; M165-E168 PolarHBondContact O-N 3.34Å; V166-E168 VanDerWaalsContact C-N 3.32Å; V166-E168 PolarHBondContact O-N 2.93Å; E168-L170 PolarHBondContact O-N 2.92Å; E168-K171 PolarHBondContact O-N 2.93Å; E168-K171 WeakPolarHBondContact OE1-CE 3.37Å; E168-K171 IonicContact OE1-NZ 2.73Å; E168-K171 PolarHBondContact OE1-NZ 3.39Å; E168-Y343 CarbonylContact C-O 3.35Å; E168-Y343 WeakPolarHBondContact O-CD1 3.35Å; E168-H345 IonicContact OE2-CD2 2.7Å; E168-H345 IonicContact OE2-CE1 3.59Å; E168-H345 IonicContact OE2-NE2 2.78Å; E168-H345 PolarHBondContact OE2-NE2 3.18Å
169A98.9Very high98.6Very high1 Ų135.3 Ų35.31%0.00819%0.194CC..Hα-helixtrans-59.1-34.3179.800000113.2M165 V166 Y343 L481 L486M165-A169 VanDerWaalsContact O-CB 3.24Å; M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.06Å; M165-A169 HydrophobicContact SD-CB 4.44Å; V166-A169 PolarHBondContact O-N 3.28Å; A169-Y343 VanDerWaalsContact CA-O 3.29Å; A169-Y343 WeakPolarHBondContact CA-O 3.3Å; A169-Y343 PolarHBondContact N-O 3.03Å; A169-L481 HydrophobicContact CB-CD2 4.48Å; A169-L486 HydrophobicContact CB-CD1 4.39Å; A169-L486 HydrophobicContact CB-CD2 3.59Å
170L98.9Very high98.7Very high0 Ų035.4 Ų35.40%019%0.194CC..THydrogen-bonded Turntrans-108.319.8-175.1-58.3179.7000113.5V166 E168 P172 Y173 I287 P483 L486V166-L170 HydrophobicContact CG1-CD1 3.7Å; V166-L170 HydrophobicContact CG1-CG 4.31Å; V166-L170 WeakPolarHBondContact O-CB 3.49Å; V166-L170 WeakPolarHBondContact O-CG 3.5Å; V166-L170 PolarHBondContact O-N 2.84Å; E168-L170 PolarHBondContact O-N 2.92Å; L170-P172 VanDerWaalsContact C-N 3.28Å; L170-P172 VanDerWaalsContact O-N 3.14Å; L170-Y173 HydrophobicContact CB-CD2 4.09Å; L170-Y173 HydrophobicContact CD2-CD2 4.05Å; L170-Y173 HydrophobicContact CD2-CE2 4.17Å; L170-Y173 WeakPolarHBondContact O-CB 3.41Å; L170-Y173 PolarHBondContact O-N 3.43Å; L170-I287 HydrophobicContact CB-CD1 4.34Å; L170-I287 HydrophobicContact CB-CG2 4.05Å; L170-I287 HydrophobicContact CD1-CD1 3.54Å; L170-P483 HydrophobicContact CD1-CB 3.87Å; L170-P483 HydrophobicContact CD1-CG 4.08Å; L170-P483 HydrophobicContact CD2-CB 4.45Å; L170-P483 HydrophobicContact CD2-CG 4.2Å; L170-L486 HydrophobicContact CD1-CD2 3.92Å; L170-L486 HydrophobicContact CD2-CB 4.34Å; L170-L486 HydrophobicContact CD2-CD2 3.9Å; L170-L486 HydrophobicContact CG-CD2 3.67Å
171K98.9Very high98.7Very high60 Ų6037.3 Ų37.326%0.26120%0.201SC..G310 helixtrans-48.1-39.9177.6-163.871.463.7-175.70114.3T167 E168 Y173 S174 H286 Y343T167-K171 PolarHBondContact O-N 3.05Å; E168-K171 PolarHBondContact O-N 2.93Å; E168-K171 WeakPolarHBondContact OE1-CE 3.37Å; E168-K171 IonicContact OE1-NZ 2.73Å; E168-K171 PolarHBondContact OE1-NZ 3.39Å; K171-Y173 PolarHBondContact O-N 3.5Å; K171-S174 WeakPolarHBondContact O-CB 3.29Å; K171-S174 PolarHBondContact O-N 2.96Å; K171-S174 PolarHBondContact O-OG 3.39Å; K171-H286 PolarHBondContact NZ-NE2 3.01Å; K171-Y343 HydrophobicContact CB-CD1 3.91Å; K171-Y343 HydrophobicContact CB-CE1 3.49Å; K171-Y343 VanDerWaalsContact CB-CE1 3.49Å; K171-Y343 HydrophobicContact CG-CE1 4.15Å
172P98.8Very high98.7Very high45 Ų4536.9 Ų36.929%0.29220%0.198SC..G310 helixtrans-59.4-18.9177.8-26.737.8000114.6L170 Y343 Q412L170-P172 VanDerWaalsContact C-N 3.28Å; L170-P172 VanDerWaalsContact O-N 3.14Å; P172-Y343 HydrophobicContact CG-CD2 4.04Å; P172-Y343 HydrophobicContact CG-CE1 4.48Å; P172-Y343 HydrophobicContact CG-CE2 3.36Å; P172-Q412 HydrophobicContact CB-CB 4.43Å; P172-Q412 HydrophobicContact CB-CG 4.44Å; P172-Q412 HydrophobicContact CG-CB 3.92Å; P172-Q412 HydrophobicContact CG-CG 3.87Å
173Y98.8Very high98.7Very high53 Ų5336.8 Ų36.821%0.20820%0.197CC..G310 helixtrans-95.66.2-178.8-58.2-84.2000113.1L170 K171 I287 Q412 P483L170-Y173 HydrophobicContact CB-CD2 4.09Å; L170-Y173 HydrophobicContact CD2-CD2 4.05Å; L170-Y173 HydrophobicContact CD2-CE2 4.17Å; L170-Y173 WeakPolarHBondContact O-CB 3.41Å; L170-Y173 PolarHBondContact O-N 3.43Å; K171-Y173 PolarHBondContact O-N 3.5Å; Y173-I287 WeakPolarHBondContact O-CA 3.22Å; Y173-Q412 VanDerWaalsContact CE2-NE2 3.34Å; Y173-Q412 PolarHBondContact OH-NE2 3.02Å; Y173-P483 HydrophobicContact CD1-CG 4.29Å; Y173-P483 HydrophobicContact CD2-CG 4.27Å; Y173-P483 HydrophobicContact CE2-CG 4.49Å; Y173-P483 HydrophobicContact CG-CG 4.18Å
174S98.7Very high98.7Very high26 Ų2637.8 Ų37.818%0.18220%0.204CC..  trans-89.44.9-173.778.10000115.3K171 G176 G177 H286K171-S174 WeakPolarHBondContact O-CB 3.29Å; K171-S174 PolarHBondContact O-N 2.96Å; K171-S174 PolarHBondContact O-OG 3.39Å; S174-G176 PolarHBondContact O-N 2.88Å; S174-G177 PolarHBondContact O-N 2.82Å; S174-H286 VanDerWaalsContact CA-O 3.32Å; S174-H286 WeakPolarHBondContact CA-O 3.47Å; S174-H286 WeakPolarHBondContact CB-CE1 3.41Å; S174-H286 VanDerWaalsContact CB-NE2 3.33Å; S174-H286 WeakPolarHBondContact CB-NE2 3.31Å
175K98.2Very high98.6Very high198 Ų19839.9 Ų39.986%0.86122%0.215SC*.THydrogen-bonded Turntrans-56.7130.3-177.9-171.6178.1-179.9-1790110.6R136 G177R136-K175 PolarHBondContact NH2-O 3.46Å; K175-G177 PolarHBondContact O-N 2.79Å
176G97.2Very high98.6Very high61 Ų6143.5 Ų43.563%0.62923%0.234SC*.THydrogen-bonded Turntrans74.95.6-177.700000114.9S174S174-G176 PolarHBondContact O-N 2.88Å
177G98.4Very high98.6Very high25 Ų2547.3 Ų47.326%0.25825%0.254SS..SBendtrans-91.8162.2168.100000112.9S174 K175S174-G177 PolarHBondContact O-N 2.82Å; K175-G177 PolarHBondContact O-N 2.79Å
178P98.7Very high98.5Very high12 Ų1249.3 Ų49.38%0.07828%0.275CS..PPolyproline II helixtrans-66.8160.1169.930.8-34.6000111.2T149 V151 L285 H286T149-P178 WeakPolarHBondContact O-CA 3.27Å; T149-P178 VanDerWaalsContact O-CB 3.3Å; T149-P178 WeakPolarHBondContact O-CB 3.4Å; V151-P178 HydrophobicContact CB-CG 4.46Å; V151-P178 HydrophobicContact CG2-CB 3.91Å; V151-P178 HydrophobicContact CG2-CG 3.55Å; P178-L285 WeakPolarHBondContact CD-O 3.4Å; P178-L285 HydrophobicContact CG-CB 4.41Å; P178-H286 PolarHBondContact O-ND1 3.37Å
179Q98.8Very high98.5Very high116 Ų11651.1 Ų51.154%0.54229%0.289SS..EExtended strand (participates in β ladder)trans-65.2143.7166.2-62.1-170.752.200109.2T149 D150 V151T149-Q179 PolarHBondContact O-N 3.27Å; D150-Q179 CarbonylContact C-O 3.24Å; D150-Q179 WeakPolarHBondContact OD1-CB 3.44Å; V151-Q179 PolarHBondContact N-O 3.5Å
180V98.8Very high98.5Very high20 Ų2052.9 Ų52.912%0.12130%0.297CS..EExtended strand (participates in β ladder)trans-117.3135.7177.8-69.50000110.7V151 T167 F182 H286V151-V180 HydrophobicContact CB-CG1 4.24Å; V151-V180 CarbonylContact O-C 3.59Å; V151-V180 VanDerWaalsContact O-CA 3.31Å; V151-V180 WeakPolarHBondContact O-CA 3.34Å; T167-V180 HydrophobicContact CG2-CG2 4.16Å; V180-F182 HydrophobicContact CB-CE2 4.16Å; V180-F182 HydrophobicContact CB-CZ 4.36Å; V180-F182 HydrophobicContact CG2-CE2 3.92Å; V180-F182 HydrophobicContact CG2-CZ 4.32Å; V180-H286 HydrophobicContact CG1-CB 3.74Å; V180-H286 HydrophobicContact CG2-CB 4.33Å
181W98.9Very high98.5Very high49 Ų4953.3 Ų53.319%0.18630%0.299CS..EExtended strand (participates in β ladder)trans-124.9147.7179.5-53.582.5000108.5D150 V151 V152 N153 T194 Q197 L198D150-W181 PolarHBondContact OD1-NE1 3.15Å; V151-W181 PolarHBondContact O-N 2.77Å; V152-W181 CarbonylContact C-O 3.56Å; V152-W181 WeakPolarHBondContact CA-O 3.32Å; V152-W181 HydrophobicContact CB-CB 4.4Å; V152-W181 HydrophobicContact CG1-CB 4.24Å; V152-W181 HydrophobicContact CG2-CB 4.08Å; V152-W181 HydrophobicContact CG2-CG 4.38Å; N153-W181 PolarHBondContact N-O 2.89Å; W181-T194 HydrophobicContact CB-CG2 4.03Å; W181-T194 HydrophobicContact CD2-CG2 4.37Å; W181-T194 HydrophobicContact CE3-CG2 4.15Å; W181-T194 HydrophobicContact CG-CG2 4.35Å; W181-Q197 HydrophobicContact CH2-CB 3.94Å; W181-Q197 HydrophobicContact CH2-CG 4.49Å; W181-Q197 HydrophobicContact CZ3-CB 4.39Å; W181-L198 HydrophobicContact CD2-CD2 4.36Å; W181-L198 HydrophobicContact CG-CD2 4.47Å; W181-L198 HydrophobicContact CZ2-CD2 4.21Å
182F98.9Very high98.5Very high23 Ų2353.1 Ų53.110%0.10131%0.309CS..EExtended strand (participates in β ladder)trans-125.4125.3-179.1-64.8-85.1000108.5N153 P163 L164 T167 V180 H190 A282N153-F182 HydrophobicContact CB-CD1 3.75Å; N153-F182 HydrophobicContact CB-CE1 3.84Å; P163-F182 HydrophobicContact CB-CE1 3.61Å; P163-F182 HydrophobicContact CB-CZ 4.28Å; L164-F182 HydrophobicContact CB-CD1 4.01Å; L164-F182 HydrophobicContact CB-CD2 4.14Å; L164-F182 HydrophobicContact CB-CE1 4.24Å; L164-F182 HydrophobicContact CB-CE2 4.31Å; L164-F182 HydrophobicContact CB-CG 3.99Å; L164-F182 HydrophobicContact CB-CZ 4.37Å; L164-F182 HydrophobicContact CD1-CB 4.41Å; L164-F182 HydrophobicContact CD1-CD2 3.46Å; L164-F182 VanDerWaalsContact CD1-CD2 3.46Å; L164-F182 HydrophobicContact CD1-CE2 3.89Å; L164-F182 HydrophobicContact CD1-CG 3.96Å; L164-F182 HydrophobicContact CG-CD2 4.36Å; L164-F182 HydrophobicContact CG-CG 4.47Å; T167-F182 HydrophobicContact CG2-CZ 4.18Å; T167-F182 VanDerWaalsContact OG1-CE2 3.29Å; T167-F182 WeakPolarHBondContact OG1-CE2 3.26Å; T167-F182 VanDerWaalsContact OG1-CZ 3.26Å; T167-F182 WeakPolarHBondContact OG1-CZ 3.32Å; V180-F182 HydrophobicContact CB-CE2 4.16Å; V180-F182 HydrophobicContact CB-CZ 4.36Å; V180-F182 HydrophobicContact CG2-CE2 3.92Å; V180-F182 HydrophobicContact CG2-CZ 4.32Å; F182-H190 PolarHBondContact O-CE1 3.3Å; F182-H190 PolarHBondContact O-NE2 2.88Å; F182-A282 HydrophobicContact CE1-CB 4.34Å; F182-A282 HydrophobicContact CZ-CB 4.49Å
183V98.8Very high98.5Very high0 Ų056 Ų560%032%0.317CS..EExtended strand (participates in β ladder)trans-123.5118.1175.4178.30000107.9V152 N153 V154 G155 I191 T194 N220V152-V183 HydrophobicContact CG1-CG2 3.86Å; N153-V183 PolarHBondContact O-N 3.18Å; V154-V183 WeakPolarHBondContact CA-O 3.47Å; V154-V183 HydrophobicContact CG2-CB 4.46Å; G155-V183 PolarHBondContact N-O 3.15Å; G155-V183 VanDerWaalsContact N-O 3.09Å; V183-I191 HydrophobicContact CB-CD1 4.48Å; V183-I191 HydrophobicContact CG1-CB 3.97Å; V183-I191 HydrophobicContact CG1-CD1 4Å; V183-I191 HydrophobicContact CG2-CD1 4.1Å; V183-T194 HydrophobicContact CG2-CG2 3.88Å; V183-N220 HydrophobicContact CG1-CB 4.35Å
184S98.1Very high98.5Very high20 Ų2053.5 Ų53.514%0.1431%0.307CS..  trans-131.6-53.9-172.455.90000114G155 D160 H190G155-S184 WeakPolarHBondContact O-CA 3.42Å; G155-S184 WeakPolarHBondContact O-CB 3.37Å; D160-S184 VanDerWaalsContact CG-CB 3.45Å; D160-S184 VanDerWaalsContact OD2-CB 3.31Å; D160-S184 WeakPolarHBondContact OD2-CB 3.43Å; D160-S184 PolarHBondContact OD2-OG 2.93Å; S184-H190 PolarHBondContact N-CE1 3.41Å; S184-H190 PolarHBondContact N-ND1 2.96Å
185N98Very high98.5Very high80 Ų8053.1 Ų53.143%0.42830%0.303SS..  trans-57.2142.8176.9-158.4-18.3000112.6D187 H190 N220N185-D187 VanDerWaalsContact C-N 3.31Å; N185-D187 HydrophobicContact CB-CB 4.45Å; N185-D187 PolarHBondContact OD1-N 3.37Å; N185-D187 VanDerWaalsContact OD1-N 3.09Å; N185-H190 HydrophobicContact CB-CB 4.22Å; N185-H190 PolarHBondContact N-ND1 3.03Å; N185-N220 PolarHBondContact O-ND2 3.38Å
186I97.9Very high98.5Very high78 Ų7847.8 Ų47.840%0.430%0.296SS..SBendtrans-79.2-15.2173-170.348.1000112.7G188 E216 T219I186-G188 PolarHBondContact O-N 2.83Å; I186-E216 HydrophobicContact CB-CB 3.98Å; I186-E216 HydrophobicContact CB-CG 3.72Å; I186-E216 HydrophobicContact CG1-CG 4.3Å; I186-E216 HydrophobicContact CG2-CG 4.09Å; I186-T219 HydrophobicContact CD1-CG2 3.75Å
187D98.3Very high98.6Very high80 Ų8050.9 Ų50.943%0.42829%0.294SS..SBendtrans-51.7115.2164.2176.1-0.8000109.5N185 T189 H190N185-D187 VanDerWaalsContact C-N 3.31Å; N185-D187 HydrophobicContact CB-CB 4.45Å; N185-D187 PolarHBondContact OD1-N 3.37Å; N185-D187 VanDerWaalsContact OD1-N 3.09Å; D187-T189 PolarHBondContact O-N 3.28Å; D187-T189 WeakPolarHBondContact OD1-CB 3.43Å; D187-T189 PolarHBondContact OD1-N 3.41Å; D187-T189 PolarHBondContact OD1-OG1 3Å; D187-H190 WeakPolarHBondContact O-CB 3.49Å; D187-H190 PolarHBondContact O-N 2.92Å
188G98.4Very high98.6Very high42 Ų4250.6 Ų50.643%0.43329%0.286SS..Hα-helixtrans-56.2-21.9-176.500000113.4I186 H190 I191 A192I186-G188 PolarHBondContact O-N 2.83Å; G188-H190 PolarHBondContact O-N 2.75Å; G188-I191 WeakPolarHBondContact O-CG2 3.35Å; G188-I191 PolarHBondContact O-N 3.24Å; G188-A192 WeakPolarHBondContact O-CB 3.34Å; G188-A192 PolarHBondContact O-N 3.09Å
189T98.8Very high98.6Very high84 Ų8453.2 Ų53.252%0.51530%0.3SS..Hα-helixtrans-53-40171.4-55.70000111.7D187 K193D187-T189 PolarHBondContact O-N 3.28Å; D187-T189 WeakPolarHBondContact OD1-CB 3.43Å; D187-T189 PolarHBondContact OD1-N 3.41Å; D187-T189 PolarHBondContact OD1-OG1 3Å; T189-K193 WeakPolarHBondContact O-CB 3.5Å; T189-K193 VanDerWaalsContact O-CG 3.23Å; T189-K193 WeakPolarHBondContact O-CG 3.38Å; T189-K193 PolarHBondContact O-N 3.22Å
190H98.8Very high98.5Very high38 Ų3848.3 Ų48.318%0.17628%0.278CS..Hα-helixtrans-66.8-49-173.1-160.3173.7000112.3F182 S184 N185 D187 G188 K193 T194F182-H190 PolarHBondContact O-CE1 3.3Å; F182-H190 PolarHBondContact O-NE2 2.88Å; S184-H190 PolarHBondContact N-CE1 3.41Å; S184-H190 PolarHBondContact N-ND1 2.96Å; N185-H190 HydrophobicContact CB-CB 4.22Å; N185-H190 PolarHBondContact N-ND1 3.03Å; D187-H190 WeakPolarHBondContact O-CB 3.49Å; D187-H190 PolarHBondContact O-N 2.92Å; G188-H190 PolarHBondContact O-N 2.75Å; H190-K193 PolarHBondContact CD2-NZ 3.31Å; H190-T194 WeakPolarHBondContact O-CB 3.32Å; H190-T194 PolarHBondContact O-OG1 2.81Å
191I98.8Very high98.5Very high10 Ų1049.3 Ų49.35%0.05128%0.281CS..Hα-helixtrans-69.9-43.5176.1-172.662.4000110.8V183 G188 K193 T194 L195 N220 A224V183-I191 HydrophobicContact CB-CD1 4.48Å; V183-I191 HydrophobicContact CG1-CB 3.97Å; V183-I191 HydrophobicContact CG1-CD1 4Å; V183-I191 HydrophobicContact CG2-CD1 4.1Å; G188-I191 WeakPolarHBondContact O-CG2 3.35Å; G188-I191 PolarHBondContact O-N 3.24Å; I191-K193 PolarHBondContact O-N 3.24Å; I191-T194 PolarHBondContact O-N 3.28Å; I191-L195 HydrophobicContact CD1-CD1 3.99Å; I191-L195 HydrophobicContact CD1-CD2 4.13Å; I191-L195 HydrophobicContact CD1-CG 3.87Å; I191-L195 HydrophobicContact CG1-CD1 3.72Å; I191-L195 HydrophobicContact CG1-CG 4.02Å; I191-L195 WeakPolarHBondContact O-CG 3.39Å; I191-L195 PolarHBondContact O-N 3.06Å; I191-N220 WeakPolarHBondContact CB-OD1 3.33Å; I191-A224 HydrophobicContact CD1-CB 4.25Å
192A98.8Very high98.5Very high56 Ų5647.6 Ų47.646%0.46328%0.276SS..Hα-helixtrans-60.9-49.5-176.500000112.9G188 T194 L195 A196G188-A192 WeakPolarHBondContact O-CB 3.34Å; G188-A192 PolarHBondContact O-N 3.09Å; A192-T194 PolarHBondContact O-N 3.45Å; A192-L195 PolarHBondContact O-N 3.1Å; A192-A196 WeakPolarHBondContact O-CB 3.37Å; A192-A196 PolarHBondContact O-N 3.03Å
193K98.7Very high98.5Very high104 Ų10446.5 Ų46.545%0.45227%0.271SS..Hα-helixtrans-65.4-27.9179.877.8-179.217254.60113T189 H190 I191 Q197T189-K193 WeakPolarHBondContact O-CB 3.5Å; T189-K193 VanDerWaalsContact O-CG 3.23Å; T189-K193 WeakPolarHBondContact O-CG 3.38Å; T189-K193 PolarHBondContact O-N 3.22Å; H190-K193 PolarHBondContact CD2-NZ 3.31Å; I191-K193 PolarHBondContact O-N 3.24Å; K193-Q197 PolarHBondContact O-NE2 3.33Å
194T98.8Very high98.5Very high2 Ų246.5 Ų46.51%0.01227%0.271CS..Hα-helixtrans-75.6-52.8178.1-63.10000109.2V152 W181 V183 H190 I191 A192 A196 Q197 L198V152-T194 HydrophobicContact CG1-CG2 4.34Å; W181-T194 HydrophobicContact CB-CG2 4.03Å; W181-T194 HydrophobicContact CD2-CG2 4.37Å; W181-T194 HydrophobicContact CE3-CG2 4.15Å; W181-T194 HydrophobicContact CG-CG2 4.35Å; V183-T194 HydrophobicContact CG2-CG2 3.88Å; H190-T194 WeakPolarHBondContact O-CB 3.32Å; H190-T194 PolarHBondContact O-OG1 2.81Å; I191-T194 PolarHBondContact O-N 3.28Å; A192-T194 PolarHBondContact O-N 3.45Å; T194-A196 PolarHBondContact O-N 3.12Å; T194-Q197 PolarHBondContact O-N 2.82Å; T194-L198 HydrophobicContact CG2-CD1 3.8Å; T194-L198 WeakPolarHBondContact O-CG 3.22Å
195L98.6Very high98.6Very high18 Ų1845.6 Ų45.69%0.09427%0.265CS..Hα-helixtrans-58.9-32.9178.4-65.1-179.4000113I191 A192 Q197 L198 F205 W227I191-L195 HydrophobicContact CD1-CD1 3.99Å; I191-L195 HydrophobicContact CD1-CD2 4.13Å; I191-L195 HydrophobicContact CD1-CG 3.87Å; I191-L195 HydrophobicContact CG1-CD1 3.72Å; I191-L195 HydrophobicContact CG1-CG 4.02Å; I191-L195 WeakPolarHBondContact O-CG 3.39Å; I191-L195 PolarHBondContact O-N 3.06Å; A192-L195 PolarHBondContact O-N 3.1Å; L195-Q197 PolarHBondContact O-N 3.21Å; L195-Q197 VanDerWaalsContact O-N 3.12Å; L195-L198 HydrophobicContact CD2-CD1 4.31Å; L195-L198 PolarHBondContact O-N 3.41Å; L195-L198 VanDerWaalsContact O-N 3.1Å; L195-F205 HydrophobicContact CD2-CE1 3.9Å; L195-F205 HydrophobicContact CD2-CZ 3.72Å; L195-W227 HydrophobicContact CB-CD2 4.36Å; L195-W227 HydrophobicContact CD1-CB 3.81Å; L195-W227 HydrophobicContact CD1-CD2 4.07Å; L195-W227 HydrophobicContact CD1-CG 3.74Å; L195-W227 HydrophobicContact CD2-CD2 3.83Å; L195-W227 HydrophobicContact CD2-CE3 3.69Å; L195-W227 HydrophobicContact CD2-CG 4.4Å; L195-W227 HydrophobicContact CD2-CH2 4.27Å; L195-W227 HydrophobicContact CD2-CZ2 4.41Å; L195-W227 HydrophobicContact CD2-CZ3 3.93Å; L195-W227 HydrophobicContact CG-CD2 4.31Å; L195-W227 HydrophobicContact CG-CG 4.44Å
196A98.6Very high98.6Very high85 Ų8541.8 Ų41.870%0.70224%0.244SC*.THydrogen-bonded Turntrans-60.7-18.1175.900000114.5A192 T194A192-A196 WeakPolarHBondContact O-CB 3.37Å; A192-A196 PolarHBondContact O-N 3.03Å; T194-A196 PolarHBondContact O-N 3.12Å
197Q98.6Very high98.6Very high126 Ų12638 Ų3859%0.58923%0.225SC*.THydrogen-bonded Turntrans-101.9-3.1179.5-66.9175.975.100113W181 K193 T194 L195W181-Q197 HydrophobicContact CH2-CB 3.94Å; W181-Q197 HydrophobicContact CH2-CG 4.49Å; W181-Q197 HydrophobicContact CZ3-CB 4.39Å; K193-Q197 PolarHBondContact O-NE2 3.33Å; T194-Q197 PolarHBondContact O-N 2.82Å; L195-Q197 PolarHBondContact O-N 3.21Å; L195-Q197 VanDerWaalsContact O-N 3.12Å
198L98.7Very high98.6Very high19 Ų1934.2 Ų34.210%0.09921%0.205CC..  trans-109.3153.3-167.2-66.1175.4000112.4D150 V152 W181 T194 L195 T203 W227D150-L198 HydrophobicContact CB-CD2 3.64Å; V152-L198 HydrophobicContact CG2-CD1 3.45Å; V152-L198 VanDerWaalsContact CG2-CD1 3.45Å; W181-L198 HydrophobicContact CD2-CD2 4.36Å; W181-L198 HydrophobicContact CG-CD2 4.47Å; W181-L198 HydrophobicContact CZ2-CD2 4.21Å; T194-L198 HydrophobicContact CG2-CD1 3.8Å; T194-L198 WeakPolarHBondContact O-CG 3.22Å; L195-L198 HydrophobicContact CD2-CD1 4.31Å; L195-L198 PolarHBondContact O-N 3.41Å; L195-L198 VanDerWaalsContact O-N 3.1Å; L198-T203 HydrophobicContact CD1-CG2 4.03Å; L198-W227 HydrophobicContact CB-CH2 3.99Å; L198-W227 HydrophobicContact CB-CZ2 4.32Å
199N98.5Very high98.5Very high68 Ų6832.3 Ų32.336%0.36419%0.185SC..  trans-106124.7172-173.8-30.9000109.7E201 T202 T203N199-E201 PolarHBondContact O-N 3.05Å; N199-E201 VanDerWaalsContact O-N 3.16Å; N199-E201 VanDerWaalsContact OD1-CB 3.31Å; N199-E201 WeakPolarHBondContact OD1-CB 3.29Å; N199-E201 WeakPolarHBondContact OD1-CG 3.21Å; N199-E201 PolarHBondContact OD1-N 3.01Å; N199-T202 PolarHBondContact O-N 3.19Å; N199-T202 VanDerWaalsContact O-N 3.14Å; N199-T203 WeakPolarHBondContact O-CB 3.34Å; N199-T203 PolarHBondContact O-N 3.43Å; N199-T203 PolarHBondContact O-OG1 3.43Å
200T97.8Very high98.1Very high12 Ų1230.7 Ų30.77%0.07417%0.17CC..THydrogen-bonded Turntrans-57.6-28.4179.450.20000113.1W227 H231 H241T200-W227 HydrophobicContact CG2-CD2 3.96Å; T200-W227 HydrophobicContact CG2-CE3 3.86Å; T200-W227 HydrophobicContact CG2-CH2 3.31Å; T200-W227 HydrophobicContact CG2-CZ2 3.4Å; T200-W227 HydrophobicContact CG2-CZ3 3.53Å; T200-H231 HydrophobicContact CG2-CB 3.86Å; T200-H241 PolarHBondContact O-CE1 3.49Å
201E98.6Very high97.8Very high41 Ų4132 Ų3219%0.19218%0.181CC..THydrogen-bonded Turntrans-74.3-24-179.6-60.4-174.7-109.600113.9Y143 T144 K146 N199Y143-E201 HydrophobicContact CE1-CB 4.29Å; Y143-E201 HydrophobicContact CE1-CG 3.89Å; T144-E201 WeakPolarHBondContact CB-OE2 3.29Å; T144-E201 HydrophobicContact CG2-CB 4.38Å; T144-E201 HydrophobicContact CG2-CG 3.71Å; T144-E201 VanDerWaalsContact CG2-OE2 3.25Å; T144-E201 WeakPolarHBondContact CG2-OE2 3.44Å; T144-E201 PolarHBondContact OG1-OE2 2.88Å; K146-E201 HydrophobicContact CD-CB 4.17Å; K146-E201 WeakPolarHBondContact CD-OE2 3.33Å; K146-E201 WeakPolarHBondContact CE-OE2 3.32Å; K146-E201 IonicContact NZ-OE1 3.75Å; K146-E201 PolarHBondContact NZ-OE1 3.1Å; K146-E201 IonicContact NZ-OE2 3.64Å; K146-E201 PolarHBondContact NZ-OE2 2.93Å; N199-E201 PolarHBondContact O-N 3.05Å; N199-E201 VanDerWaalsContact O-N 3.16Å; N199-E201 VanDerWaalsContact OD1-CB 3.31Å; N199-E201 WeakPolarHBondContact OD1-CB 3.29Å; N199-E201 WeakPolarHBondContact OD1-CG 3.21Å; N199-E201 PolarHBondContact OD1-N 3.01Å
202T98.8Very high97.6Very high14 Ų1431.9 Ų31.99%0.08618%0.18CC..THydrogen-bonded Turntrans-127.911.5-169.662.90000114K146 A147 I148 T149 D150 N199K146-T202 HydrophobicContact CB-CG2 3.74Å; K146-T202 HydrophobicContact CD-CG2 4Å; A147-T202 WeakPolarHBondContact O-CG2 3.31Å; I148-T202 CarbonylContact C-O 3.54Å; I148-T202 WeakPolarHBondContact CA-O 3.45Å; I148-T202 WeakPolarHBondContact CG2-O 3.19Å; T149-T202 PolarHBondContact N-O 3.13Å; T149-T202 VanDerWaalsContact OG1-CB 3.25Å; T149-T202 WeakPolarHBondContact OG1-CB 3.46Å; T149-T202 PolarHBondContact OG1-O 3.23Å; T149-T202 PolarHBondContact OG1-OG1 3.22Å; D150-T202 PolarHBondContact N-O 3.25Å; N199-T202 PolarHBondContact O-N 3.19Å; N199-T202 VanDerWaalsContact O-N 3.14Å
203T98.9Very high97.4Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-104.1129.7-179.1-59.70000111.9D150 V152 L198 N199 F205 H241D150-T203 HydrophobicContact CB-CG2 4.49Å; D150-T203 CarbonylContact O-C 3.6Å; D150-T203 WeakPolarHBondContact O-CA 3.3Å; V152-T203 HydrophobicContact CG2-CG2 3.69Å; L198-T203 HydrophobicContact CD1-CG2 4.03Å; N199-T203 WeakPolarHBondContact O-CB 3.34Å; N199-T203 PolarHBondContact O-N 3.43Å; N199-T203 PolarHBondContact O-OG1 3.43Å; T203-F205 HydrophobicContact CG2-CD2 4.18Å; T203-F205 HydrophobicContact CG2-CE1 4.23Å; T203-F205 HydrophobicContact CG2-CE2 3.63Å; T203-F205 HydrophobicContact CG2-CZ 3.65Å; T203-H241 PolarHBondContact O-ND1 3.33Å
204L98.9Very high97.1Very high0 Ų030.1 Ų30.10%017%0.173CC..EExtended strand (participates in β ladder)trans-107.4128.4171.317770.2000110.3F131 V135 I148 D150 V151 V152 V243 L285F131-L204 HydrophobicContact CE1-CD2 3.89Å; F131-L204 HydrophobicContact CZ-CD1 4.46Å; F131-L204 HydrophobicContact CZ-CD2 3.61Å; V135-L204 HydrophobicContact CG2-CD2 4.16Å; I148-L204 HydrophobicContact CD1-CB 4.31Å; I148-L204 HydrophobicContact CG1-CB 4.35Å; I148-L204 HydrophobicContact CG2-CB 3.72Å; D150-L204 PolarHBondContact O-N 3.03Å; V151-L204 CarbonylContact C-O 3.52Å; V151-L204 VanDerWaalsContact CA-O 3.28Å; V151-L204 WeakPolarHBondContact CA-O 3.15Å; V151-L204 HydrophobicContact CG2-CB 4.36Å; V151-L204 HydrophobicContact CG2-CD2 4.32Å; V152-L204 PolarHBondContact N-O 3.47Å; L204-V243 HydrophobicContact CD1-CG1 4.19Å; L204-L285 HydrophobicContact CD2-CD1 4.48Å
205F98.9Very high96.9Very high0 Ų033.5 Ų33.50%019%0.188CC..EExtended strand (participates in β ladder)trans-98.8133.4174.6-64.2-87.8000111.2V152 V154 L195 T203 I207 A224 W227 H241 F242 V243V152-F205 HydrophobicContact CB-CD1 3.63Å; V152-F205 HydrophobicContact CB-CE1 3.83Å; V152-F205 HydrophobicContact CG1-CD1 4.02Å; V152-F205 HydrophobicContact CG1-CE1 4.06Å; V152-F205 HydrophobicContact CG2-CD1 4.12Å; V152-F205 HydrophobicContact CG2-CE1 3.85Å; V152-F205 HydrophobicContact CG2-CZ 4.49Å; V152-F205 WeakPolarHBondContact O-CA 3.49Å; V154-F205 HydrophobicContact CG2-CD1 4.33Å; L195-F205 HydrophobicContact CD2-CE1 3.9Å; L195-F205 HydrophobicContact CD2-CZ 3.72Å; T203-F205 HydrophobicContact CG2-CD2 4.18Å; T203-F205 HydrophobicContact CG2-CE1 4.23Å; T203-F205 HydrophobicContact CG2-CE2 3.63Å; T203-F205 HydrophobicContact CG2-CZ 3.65Å; F205-I207 HydrophobicContact CB-CD1 4.24Å; F205-A224 HydrophobicContact CD1-CB 3.88Å; F205-A224 HydrophobicContact CE1-CB 3.68Å; F205-A224 HydrophobicContact CG-CB 4.48Å; F205-A224 HydrophobicContact CZ-CB 4.11Å; F205-W227 HydrophobicContact CE2-CE3 4.27Å; F205-W227 AromaticContact CE2-CZ3 3.8Å; F205-W227 HydrophobicContact CE2-CZ3 3.8Å; F205-W227 AromaticContact CZ-CE3 3.96Å; F205-W227 HydrophobicContact CZ-CE3 3.96Å; F205-W227 AromaticContact CZ-CZ3 3.59Å; F205-W227 HydrophobicContact CZ-CZ3 3.59Å; F205-H241 PolarHBondContact N-O 3.37Å; F205-F242 HydrophobicContact CB-CD1 3.6Å; F205-F242 HydrophobicContact CB-CE1 3.6Å; F205-F242 HydrophobicContact CB-CG 4.19Å; F205-F242 HydrophobicContact CB-CZ 4.19Å; F205-F242 HydrophobicContact CD1-CE1 4.49Å; F205-F242 HydrophobicContact CD2-CD1 4.39Å; F205-F242 HydrophobicContact CD2-CD2 4.48Å; F205-F242 AromaticContact CD2-CE1 3.77Å; F205-F242 HydrophobicContact CD2-CE1 3.77Å; F205-F242 AromaticContact CD2-CE2 3.87Å; F205-F242 HydrophobicContact CD2-CE2 3.87Å; F205-F242 AromaticContact CD2-CZ 3.46Å; F205-F242 HydrophobicContact CD2-CZ 3.46Å; F205-F242 VanDerWaalsContact CD2-CZ 3.46Å; F205-F242 HydrophobicContact CE2-CE2 4.48Å; F205-F242 HydrophobicContact CE2-CZ 4.02Å; F205-F242 HydrophobicContact CG-CD1 4.21Å; F205-F242 AromaticContact CG-CE1 3.7Å; F205-F242 HydrophobicContact CG-CE1 3.7Å; F205-F242 AromaticContact CG-CZ 3.9Å; F205-F242 HydrophobicContact CG-CZ 3.9Å; F205-F242 WeakPolarHBondContact O-CA 3.4Å; F205-V243 PolarHBondContact O-N 3.36Å
206I98.8Very high96.8Very high0 Ų035.2 Ų35.20%020%0.196CC..EExtended strand (participates in β ladder)trans-111.3112173.5-60177.9000107.3V151 V152 V154 V243 L245 M281 A282 L285V151-I206 HydrophobicContact CG1-CD1 3.4Å; V151-I206 VanDerWaalsContact CG1-CD1 3.4Å; V151-I206 HydrophobicContact CG1-CG1 3.96Å; V152-I206 PolarHBondContact O-N 3.36Å; V154-I206 PolarHBondContact N-O 3.01Å; I206-V243 HydrophobicContact CB-CG2 4.19Å; I206-V243 HydrophobicContact CG1-CG2 3.72Å; I206-V243 HydrophobicContact CG2-CG2 4.31Å; I206-L245 HydrophobicContact CG2-CD1 3.36Å; I206-L245 HydrophobicContact CG2-CD2 4.04Å; I206-L245 HydrophobicContact CG2-CG 3.53Å; I206-M281 HydrophobicContact CD1-CB 4.26Å; I206-M281 HydrophobicContact CD1-CG 3.79Å; I206-A282 HydrophobicContact CD1-CB 4.25Å; I206-L285 HydrophobicContact CD1-CD1 3.71Å
207I98.6Very high96.8Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-92.9105.5178.6-47.5-50.1000108.8V154 F205 F212 T217 A221 F242 V243 L245 I257V154-I207 HydrophobicContact CB-CD1 3.96Å; V154-I207 HydrophobicContact CG2-CD1 4.06Å; F205-I207 HydrophobicContact CB-CD1 4.24Å; I207-F212 HydrophobicContact CB-CE2 3.91Å; I207-F212 HydrophobicContact CB-CZ 4.1Å; I207-F212 HydrophobicContact CG2-CD2 4.47Å; I207-F212 HydrophobicContact CG2-CE2 3.54Å; I207-F212 HydrophobicContact CG2-CZ 3.72Å; I207-T217 HydrophobicContact CG2-CG2 4.19Å; I207-A221 HydrophobicContact CD1-CB 3.61Å; I207-A221 HydrophobicContact CG1-CB 4.1Å; I207-A221 HydrophobicContact CG2-CB 3.91Å; I207-F242 HydrophobicContact CD1-CD1 4.1Å; I207-F242 HydrophobicContact CD1-CE1 4.42Å; I207-F242 HydrophobicContact CG1-CD1 4.22Å; I207-V243 PolarHBondContact N-O 2.93Å; I207-L245 PolarHBondContact O-N 3.44Å; I207-I257 HydrophobicContact CG1-CD1 4.17Å
208A98.2Very high96.7Very high0 Ų026.6 Ų26.60%014%0.142CC..EExtended strand (participates in β ladder)trans-103.692.8-170.700000111.6V154 S159 L245 I279V154-A208 PolarHBondContact O-N 3.15Å; S159-A208 WeakPolarHBondContact CB-O 3.15Å; S159-A208 PolarHBondContact OG-O 2.65Å; A208-L245 HydrophobicContact CB-CB 4.49Å; A208-L245 HydrophobicContact CB-CD1 4.02Å; A208-I279 HydrophobicContact CB-CD1 4.08Å
209S96.4Very high96.7Very high1 Ų128.4 Ų28.41%0.00715%0.154CC..  trans-150.3120.9178.3178.50000111.5T211 F212 T214 L245 S246S209-T211 PolarHBondContact O-N 3.36Å; S209-F212 PolarHBondContact O-N 3.45Å; S209-F212 WeakPolarHBondContact OG-CA 3.41Å; S209-F212 PolarHBondContact OG-N 3.11Å; S209-T214 PolarHBondContact OG-OG1 2.85Å; S209-T214 VanDerWaalsContact OG-OG1 3.11Å; S209-L245 CarbonylContact C-O 3.5Å; S209-L245 PolarHBondContact N-O 2.75Å; S209-S246 WeakPolarHBondContact O-CA 3.41Å; S209-S246 VanDerWaalsContact O-CB 3.27Å; S209-S246 WeakPolarHBondContact O-CB 3.31Å; S209-S246 PolarHBondContact O-OG 2.94Å
210K90.5Very high96.7Very high50 Ų5025.3 Ų25.322%0.21714%0.137CC..SBendtrans-53-53.8176.7-172.8173.1-171.4168.10111.7S246 T247 F265 D267 V269K210-S246 PolarHBondContact O-OG 3.13Å; K210-T247 HydrophobicContact CG-CG2 4.02Å; K210-T247 PolarHBondContact O-N 2.87Å; K210-T247 PolarHBondContact O-OG1 3.45Å; K210-F265 HydrophobicContact CB-CE2 3.75Å; K210-F265 HydrophobicContact CB-CZ 3.52Å; K210-F265 HydrophobicContact CD-CE2 3.89Å; K210-F265 HydrophobicContact CG-CE2 3.55Å; K210-F265 HydrophobicContact CG-CZ 3.8Å; K210-D267 PolarHBondContact NZ-O 2.98Å; K210-V269 PolarHBondContact NZ-O 3.09Å
211T90.6Very high96.8Very high65 Ų6524.7 Ų24.740%0.39913%0.134SC..SBendtrans-83.6-19.1-177.563.70000113S209 T213 N248S209-T211 PolarHBondContact O-N 3.36Å; T211-T213 VanDerWaalsContact CB-OG1 3.25Å; T211-T213 WeakPolarHBondContact CB-OG1 3.25Å; T211-T213 PolarHBondContact O-N 2.83Å; T211-T213 PolarHBondContact OG1-N 2.88Å; T211-T213 PolarHBondContact OG1-OG1 3.17Å; T211-N248 PolarHBondContact O-ND2 2.92Å
212F95.2Very high96.8Very high8 Ų827.5 Ų27.54%0.03515%0.147CC..SBendtrans56.228.7-169.4-138.7-102000113.4I207 S209 I218 A244 N248 K251 V252 F255 I257I207-F212 HydrophobicContact CB-CE2 3.91Å; I207-F212 HydrophobicContact CB-CZ 4.1Å; I207-F212 HydrophobicContact CG2-CD2 4.47Å; I207-F212 HydrophobicContact CG2-CE2 3.54Å; I207-F212 HydrophobicContact CG2-CZ 3.72Å; S209-F212 PolarHBondContact O-N 3.45Å; S209-F212 WeakPolarHBondContact OG-CA 3.41Å; S209-F212 PolarHBondContact OG-N 3.11Å; F212-I218 HydrophobicContact CD1-CD1 3.86Å; F212-I218 HydrophobicContact CE1-CD1 4.03Å; F212-I218 HydrophobicContact CG-CD1 4.17Å; F212-I218 HydrophobicContact CZ-CD1 4.48Å; F212-I218 WeakPolarHBondContact O-CD1 3.47Å; F212-A244 HydrophobicContact CE2-CB 3.82Å; F212-A244 HydrophobicContact CZ-CB 4.27Å; F212-N248 HydrophobicContact CB-CB 4.16Å; F212-K251 HydrophobicContact CB-CB 3.91Å; F212-K251 HydrophobicContact CD1-CB 3.89Å; F212-K251 HydrophobicContact CG-CB 4.33Å; F212-V252 HydrophobicContact CD1-CG2 4.13Å; F212-V252 HydrophobicContact CD2-CG2 3.79Å; F212-V252 HydrophobicContact CE1-CG2 4.18Å; F212-V252 HydrophobicContact CE2-CG2 3.85Å; F212-V252 HydrophobicContact CG-CG2 3.93Å; F212-V252 HydrophobicContact CZ-CG2 4.04Å; F212-F255 HydrophobicContact CE1-CB 3.73Å; F212-F255 HydrophobicContact CE1-CD2 4.39Å; F212-F255 HydrophobicContact CE1-CG 4.05Å; F212-F255 HydrophobicContact CZ-CB 4.44Å; F212-F255 HydrophobicContact CZ-CG 4.43Å; F212-I257 HydrophobicContact CZ-CD1 4.09Å
213T94.1Very high96.8Very high84 Ų8429.3 Ų29.352%0.51516%0.16SC..  trans-135.83-178.658.70000113.1T211 Q215 K251T211-T213 VanDerWaalsContact CB-OG1 3.25Å; T211-T213 WeakPolarHBondContact CB-OG1 3.25Å; T211-T213 PolarHBondContact O-N 2.83Å; T211-T213 PolarHBondContact OG1-N 2.88Å; T211-T213 PolarHBondContact OG1-OG1 3.17Å; T213-Q215 PolarHBondContact O-N 3.5Å; T213-K251 HydrophobicContact CG2-CG 4.4Å
214T93.6Very high96.7Very high39 Ų3929.3 Ų29.324%0.23916%0.16CC..  trans-60.8116.8175.3-50.70000109.1I156 S209 E216 T217 I218I156-T214 HydrophobicContact CG2-CG2 3.78Å; S209-T214 PolarHBondContact OG-OG1 2.85Å; S209-T214 VanDerWaalsContact OG-OG1 3.11Å; T214-E216 VanDerWaalsContact C-N 3.34Å; T214-E216 WeakPolarHBondContact CG2-OE2 3.37Å; T214-E216 PolarHBondContact O-N 3.07Å; T214-T217 PolarHBondContact O-N 3.16Å; T214-I218 WeakPolarHBondContact O-CG1 3.49Å; T214-I218 PolarHBondContact O-N 2.9Å
215Q94.1Very high96.7Very high74 Ų7431.3 Ų31.335%0.34617%0.168SC..Hα-helixtrans-53.5-51.8-170.8-178.8172.722.500111.3T213 T217 I218 T219 E525T213-Q215 PolarHBondContact O-N 3.5Å; Q215-T217 VanDerWaalsContact C-N 3.34Å; Q215-T217 PolarHBondContact O-N 3.05Å; Q215-I218 PolarHBondContact O-N 3.11Å; Q215-T219 WeakPolarHBondContact O-CB 3.38Å; Q215-T219 PolarHBondContact O-N 3.11Å; Q215-T219 PolarHBondContact O-OG1 2.76Å; Q215-T219 VanDerWaalsContact O-OG1 3.05Å; Q215-E525 PolarHBondContact NE2-OE1 2.88Å; Q215-E525 PolarHBondContact NE2-OE2 2.65Å
216E96.8Very high96.7Very high54 Ų5433.6 Ų33.625%0.25219%0.188SC..Hα-helixtrans-59.7-44.6-177.5-57.291.2151.500111.8I156 I186 T214 N220I156-E216 HydrophobicContact CD1-CB 4.15Å; I156-E216 HydrophobicContact CD1-CG 4.15Å; I186-E216 HydrophobicContact CB-CB 3.98Å; I186-E216 HydrophobicContact CB-CG 3.72Å; I186-E216 HydrophobicContact CG1-CG 4.3Å; I186-E216 HydrophobicContact CG2-CG 4.09Å; T214-E216 VanDerWaalsContact C-N 3.34Å; T214-E216 WeakPolarHBondContact CG2-OE2 3.37Å; T214-E216 PolarHBondContact O-N 3.07Å; E216-N220 WeakPolarHBondContact O-CB 3.31Å; E216-N220 PolarHBondContact O-N 2.74Å; E216-N220 PolarHBondContact O-ND2 2.85Å
217T97.6Very high96.7Very high1 Ų135.7 Ų35.71%0.00620%0.195CC..Hα-helixtrans-69.1-44.4-179.6-54.10000112V154 I207 T214 Q215 N220 A221V154-T217 HydrophobicContact CG1-CG2 4.32Å; V154-T217 WeakPolarHBondContact O-CG2 3.39Å; I207-T217 HydrophobicContact CG2-CG2 4.19Å; T214-T217 PolarHBondContact O-N 3.16Å; Q215-T217 VanDerWaalsContact C-N 3.34Å; Q215-T217 PolarHBondContact O-N 3.05Å; T217-N220 PolarHBondContact O-N 3.45Å; T217-A221 VanDerWaalsContact O-CB 3.3Å; T217-A221 WeakPolarHBondContact O-CB 3.34Å; T217-A221 PolarHBondContact O-N 3.23Å
218I97.9Very high96.7Very high28 Ų2835.7 Ų35.714%0.14420%0.195CC..Hα-helixtrans-70.9-41.1-177.5-62.5-57.1000111F212 T214 Q215 N220 A221 E222F212-I218 HydrophobicContact CD1-CD1 3.86Å; F212-I218 HydrophobicContact CE1-CD1 4.03Å; F212-I218 HydrophobicContact CG-CD1 4.17Å; F212-I218 HydrophobicContact CZ-CD1 4.48Å; F212-I218 WeakPolarHBondContact O-CD1 3.47Å; T214-I218 WeakPolarHBondContact O-CG1 3.49Å; T214-I218 PolarHBondContact O-N 2.9Å; Q215-I218 PolarHBondContact O-N 3.11Å; I218-N220 VanDerWaalsContact C-N 3.34Å; I218-N220 PolarHBondContact O-N 2.85Å; I218-A221 WeakPolarHBondContact O-CB 3.46Å; I218-A221 PolarHBondContact O-N 3.34Å; I218-E222 HydrophobicContact CG2-CG 4.31Å; I218-E222 WeakPolarHBondContact O-CB 3.18Å; I218-E222 WeakPolarHBondContact O-CG 3.33Å; I218-E222 PolarHBondContact O-N 2.96Å
219T98.4Very high96.6Very high57 Ų5737.8 Ų37.835%0.3521%0.206SC..Hα-helixtrans-62.5-40.5175.4-60.10000112.1I186 Q215 E222 S223I186-T219 HydrophobicContact CD1-CG2 3.75Å; Q215-T219 WeakPolarHBondContact O-CB 3.38Å; Q215-T219 PolarHBondContact O-N 3.11Å; Q215-T219 PolarHBondContact O-OG1 2.76Å; Q215-T219 VanDerWaalsContact O-OG1 3.05Å; T219-E222 PolarHBondContact O-N 2.81Å; T219-S223 WeakPolarHBondContact O-CB 3.29Å; T219-S223 PolarHBondContact O-N 3.42Å; T219-S223 PolarHBondContact O-OG 3.27Å
220N98.8Very high96.7Very high3 Ų344 Ų442%0.01624%0.236CC..Hα-helixtrans-65.5-41.5173-84-45.1000112V154 V183 N185 I191 E216 T217 I218 S223 A224V154-N220 HydrophobicContact CG1-CB 3.57Å; V183-N220 HydrophobicContact CG1-CB 4.35Å; N185-N220 PolarHBondContact O-ND2 3.38Å; I191-N220 WeakPolarHBondContact CB-OD1 3.33Å; E216-N220 WeakPolarHBondContact O-CB 3.31Å; E216-N220 PolarHBondContact O-N 2.74Å; E216-N220 PolarHBondContact O-ND2 2.85Å; T217-N220 PolarHBondContact O-N 3.45Å; I218-N220 VanDerWaalsContact C-N 3.34Å; I218-N220 PolarHBondContact O-N 2.85Å; N220-S223 PolarHBondContact O-N 3.03Å; N220-A224 WeakPolarHBondContact O-CB 3.44Å; N220-A224 PolarHBondContact O-N 3.17Å
221A98.5Very high96.9Very high0 Ų046.3 Ų46.30%025%0.247CC..Hα-helixtrans-63.8-40.9177.200000112.1I207 T217 I218 A224 K225 F255I207-A221 HydrophobicContact CD1-CB 3.61Å; I207-A221 HydrophobicContact CG1-CB 4.1Å; I207-A221 HydrophobicContact CG2-CB 3.91Å; T217-A221 VanDerWaalsContact O-CB 3.3Å; T217-A221 WeakPolarHBondContact O-CB 3.34Å; T217-A221 PolarHBondContact O-N 3.23Å; I218-A221 WeakPolarHBondContact O-CB 3.46Å; I218-A221 PolarHBondContact O-N 3.34Å; A221-A224 PolarHBondContact O-N 3.31Å; A221-K225 WeakPolarHBondContact O-CB 3.22Å; A221-K225 PolarHBondContact O-N 3.26Å; A221-F255 HydrophobicContact CB-CE2 3.76Å; A221-F255 HydrophobicContact CB-CZ 3.74Å
222E98.4Very high97.2Very high100 Ų10043.9 Ų43.947%0.46723%0.233SC..Hα-helixtrans-65.9-40.9175.3-73.1179.8163.800111.8I218 T219 K225 A226 F255I218-E222 HydrophobicContact CG2-CG 4.31Å; I218-E222 WeakPolarHBondContact O-CB 3.18Å; I218-E222 WeakPolarHBondContact O-CG 3.33Å; I218-E222 PolarHBondContact O-N 2.96Å; T219-E222 PolarHBondContact O-N 2.81Å; E222-K225 PolarHBondContact O-N 3.42Å; E222-A226 WeakPolarHBondContact O-CB 3.35Å; E222-A226 PolarHBondContact O-N 3.27Å; E222-F255 HydrophobicContact CG-CD2 4.48Å; E222-F255 HydrophobicContact CG-CE2 3.89Å
223S98.8Very high97.2Very high51 Ų5152.2 Ų52.236%0.35727%0.269SS..Hα-helixtrans-59.9-46.2172.8-59.40000111.8T219 N220 K225 A226 W227T219-S223 WeakPolarHBondContact O-CB 3.29Å; T219-S223 PolarHBondContact O-N 3.42Å; T219-S223 PolarHBondContact O-OG 3.27Å; N220-S223 PolarHBondContact O-N 3.03Å; S223-K225 PolarHBondContact O-N 3.35Å; S223-A226 PolarHBondContact O-N 3.28Å; S223-W227 WeakPolarHBondContact O-CB 3.35Å; S223-W227 PolarHBondContact O-N 3.03Å
224A98.6Very high97.2Very high0 Ų052.2 Ų52.20%027%0.266CS..Hα-helixtrans-62.9-41.6175.900000112.3I191 F205 N220 A221 F228 F242I191-A224 HydrophobicContact CD1-CB 4.25Å; F205-A224 HydrophobicContact CD1-CB 3.88Å; F205-A224 HydrophobicContact CE1-CB 3.68Å; F205-A224 HydrophobicContact CG-CB 4.48Å; F205-A224 HydrophobicContact CZ-CB 4.11Å; N220-A224 WeakPolarHBondContact O-CB 3.44Å; N220-A224 PolarHBondContact O-N 3.17Å; A221-A224 PolarHBondContact O-N 3.31Å; A224-F228 WeakPolarHBondContact O-CB 3.25Å; A224-F228 PolarHBondContact O-N 2.95Å; A224-F242 HydrophobicContact CB-CE1 4.23Å; A224-F242 HydrophobicContact CB-CZ 4.39Å
225K98.3Very high97.1Very high42 Ų4258.8 Ų58.818%0.18329%0.292CS..Hα-helixtrans-65.3-41.2176.8-176.8174.966.3-171.80111.8A221 E222 S223 F228 L229 V238 F242 F255A221-K225 WeakPolarHBondContact O-CB 3.22Å; A221-K225 PolarHBondContact O-N 3.26Å; E222-K225 PolarHBondContact O-N 3.42Å; S223-K225 PolarHBondContact O-N 3.35Å; K225-F228 PolarHBondContact O-N 3.07Å; K225-L229 HydrophobicContact CG-CD1 3.94Å; K225-L229 HydrophobicContact CG-CG 4.4Å; K225-L229 WeakPolarHBondContact O-CB 3.33Å; K225-L229 VanDerWaalsContact O-CG 3.3Å; K225-L229 WeakPolarHBondContact O-CG 3.29Å; K225-L229 PolarHBondContact O-N 2.99Å; K225-V238 HydrophobicContact CG-CG2 4.42Å; K225-F242 HydrophobicContact CB-CE1 4.21Å; K225-F242 HydrophobicContact CB-CZ 4.04Å; K225-F255 HydrophobicContact CB-CZ 4.06Å; K225-F255 HydrophobicContact CD-CD1 4.44Å; K225-F255 HydrophobicContact CD-CE1 3.88Å; K225-F255 HydrophobicContact CD-CE2 4.47Å; K225-F255 HydrophobicContact CD-CZ 3.9Å; K225-F255 PolarHBondContact NZ-O 2.91Å
226A98.2Very high97Very high49 Ų4958.7 Ų58.741%0.40530%0.303SS..Hα-helixtrans-60.9-52.317600000110.8E222 S223 F228 L229 E230E222-A226 WeakPolarHBondContact O-CB 3.35Å; E222-A226 PolarHBondContact O-N 3.27Å; S223-A226 PolarHBondContact O-N 3.28Å; A226-F228 VanDerWaalsContact C-N 3.29Å; A226-F228 PolarHBondContact O-N 3.15Å; A226-L229 PolarHBondContact O-N 3.3Å; A226-L229 VanDerWaalsContact O-N 3.11Å; A226-E230 WeakPolarHBondContact O-CG 3.25Å; A226-E230 PolarHBondContact O-N 2.67Å
227W98.5Very high96.8Very high43 Ų4356.3 Ų56.316%0.16329%0.293CS..Hα-helixtrans-54.5-43.3175.1169.483.2000112.9L195 L198 T200 F205 S223 H231L195-W227 HydrophobicContact CB-CD2 4.36Å; L195-W227 HydrophobicContact CD1-CB 3.81Å; L195-W227 HydrophobicContact CD1-CD2 4.07Å; L195-W227 HydrophobicContact CD1-CG 3.74Å; L195-W227 HydrophobicContact CD2-CD2 3.83Å; L195-W227 HydrophobicContact CD2-CE3 3.69Å; L195-W227 HydrophobicContact CD2-CG 4.4Å; L195-W227 HydrophobicContact CD2-CH2 4.27Å; L195-W227 HydrophobicContact CD2-CZ2 4.41Å; L195-W227 HydrophobicContact CD2-CZ3 3.93Å; L195-W227 HydrophobicContact CG-CD2 4.31Å; L195-W227 HydrophobicContact CG-CG 4.44Å; L198-W227 HydrophobicContact CB-CH2 3.99Å; L198-W227 HydrophobicContact CB-CZ2 4.32Å; T200-W227 HydrophobicContact CG2-CD2 3.96Å; T200-W227 HydrophobicContact CG2-CE3 3.86Å; T200-W227 HydrophobicContact CG2-CH2 3.31Å; T200-W227 HydrophobicContact CG2-CZ2 3.4Å; T200-W227 HydrophobicContact CG2-CZ3 3.53Å; F205-W227 HydrophobicContact CE2-CE3 4.27Å; F205-W227 AromaticContact CE2-CZ3 3.8Å; F205-W227 HydrophobicContact CE2-CZ3 3.8Å; F205-W227 AromaticContact CZ-CE3 3.96Å; F205-W227 HydrophobicContact CZ-CE3 3.96Å; F205-W227 AromaticContact CZ-CZ3 3.59Å; F205-W227 HydrophobicContact CZ-CZ3 3.59Å; S223-W227 WeakPolarHBondContact O-CB 3.35Å; S223-W227 PolarHBondContact O-N 3.03Å; W227-H231 PolarHBondContact O-ND1 3.12Å
228F98.4Very high96.7Very high0 Ų056.5 Ų56.50%029%0.294CS..Hα-helixtrans-63.4-46.2176.7172.6-100.9000111.9Y143 A224 K225 A226 E230 H231 A232 A237 V238 H241 F242Y143-F228 AromaticContact CD1-CE2 3.91Å; Y143-F228 HydrophobicContact CD1-CE2 3.91Å; Y143-F228 HydrophobicContact CD1-CZ 4.19Å; Y143-F228 HydrophobicContact CE1-CE2 4.25Å; A224-F228 WeakPolarHBondContact O-CB 3.25Å; A224-F228 PolarHBondContact O-N 2.95Å; K225-F228 PolarHBondContact O-N 3.07Å; A226-F228 VanDerWaalsContact C-N 3.29Å; A226-F228 PolarHBondContact O-N 3.15Å; F228-E230 PolarHBondContact O-N 3.31Å; F228-H231 PolarHBondContact O-N 3.19Å; F228-A232 HydrophobicContact CD1-CB 4.25Å; F228-A232 HydrophobicContact CE1-CB 3.72Å; F228-A232 HydrophobicContact CE2-CB 4.01Å; F228-A232 HydrophobicContact CZ-CB 3.59Å; F228-A232 WeakPolarHBondContact O-CB 3.38Å; F228-A232 PolarHBondContact O-N 3.11Å; F228-A237 HydrophobicContact CE1-CB 3.97Å; F228-A237 HydrophobicContact CZ-CB 3.81Å; F228-V238 HydrophobicContact CD1-CG2 4.29Å; F228-V238 HydrophobicContact CE1-CG2 4.17Å; F228-H241 HydrophobicContact CD2-CB 4.24Å; F228-H241 HydrophobicContact CE1-CB 4.48Å; F228-H241 HydrophobicContact CE2-CB 3.78Å; F228-H241 AromaticContact CE2-CD2 3.36Å; F228-H241 WeakPolarHBondContact CE2-CD2 3.11Å; F228-H241 AromaticContact CE2-CG 3.35Å; F228-H241 AromaticContact CE2-ND1 3.77Å; F228-H241 AromaticContact CE2-NE2 3.8Å; F228-H241 HydrophobicContact CZ-CB 3.91Å; F228-H241 AromaticContact CZ-CD2 3.34Å; F228-H241 WeakPolarHBondContact CZ-CD2 3.41Å; F228-H241 AromaticContact CZ-CG 3.66Å; F228-F242 HydrophobicContact CB-CE2 4.04Å; F228-F242 HydrophobicContact CB-CZ 4.23Å; F228-F242 AromaticContact CD1-CE2 3.93Å; F228-F242 HydrophobicContact CD1-CE2 3.93Å; F228-F242 AromaticContact CG-CE2 3.92Å; F228-F242 HydrophobicContact CG-CE2 3.92Å
229L97.8Very high96.4Very high44 Ų4456.6 Ų56.623%0.2330%0.299CS..Hα-helixtrans-70.9-26.7-176.9-73.6175000113.7K225 A226 H231 K233 D234 K235 V238K225-L229 HydrophobicContact CG-CD1 3.94Å; K225-L229 HydrophobicContact CG-CG 4.4Å; K225-L229 WeakPolarHBondContact O-CB 3.33Å; K225-L229 VanDerWaalsContact O-CG 3.3Å; K225-L229 WeakPolarHBondContact O-CG 3.29Å; K225-L229 PolarHBondContact O-N 2.99Å; A226-L229 PolarHBondContact O-N 3.3Å; A226-L229 VanDerWaalsContact O-N 3.11Å; L229-H231 PolarHBondContact O-N 2.96Å; L229-K233 WeakPolarHBondContact O-CA 3.38Å; L229-K233 PolarHBondContact O-N 3.32Å; L229-D234 WeakPolarHBondContact CD2-O 3.39Å; L229-K235 HydrophobicContact CD2-CG 4.44Å; L229-V238 HydrophobicContact CD2-CG2 3.93Å; L229-V238 HydrophobicContact CG-CG2 4.37Å
230E97.3Very high96.2Very high133 Ų13358.5 Ų58.562%0.62130%0.302SS*.Hα-helixtrans-56.7-32.2171.3-75.9174-179.500112.1A226 F228 K233A226-E230 WeakPolarHBondContact O-CG 3.25Å; A226-E230 PolarHBondContact O-N 2.67Å; F228-E230 PolarHBondContact O-N 3.31Å; E230-K233 WeakPolarHBondContact O-CE 3.48Å
231H95.6Very high96.2Very high98 Ų9858.4 Ų58.445%0.45430%0.302SS..Hα-helixtrans-98.4-49.4-178.1-61.780.9000112.5T200 W227 F228 L229 K233T200-H231 HydrophobicContact CG2-CB 3.86Å; W227-H231 PolarHBondContact O-ND1 3.12Å; F228-H231 PolarHBondContact O-N 3.19Å; L229-H231 PolarHBondContact O-N 2.96Å; H231-K233 VanDerWaalsContact C-N 3.33Å; H231-K233 PolarHBondContact O-N 2.91Å
232A96.1Very high96.2Very high14 Ų1458.4 Ų58.412%0.11630%0.302CS..Hα-helixtrans-69.8-31.1-176.800000112.6Y143 F228 D234 A237Y143-A232 HydrophobicContact CD1-CB 4.31Å; Y143-A232 HydrophobicContact CD2-CB 4.16Å; Y143-A232 HydrophobicContact CE1-CB 4.22Å; Y143-A232 HydrophobicContact CE2-CB 4.07Å; Y143-A232 HydrophobicContact CG-CB 4.28Å; F228-A232 HydrophobicContact CD1-CB 4.25Å; F228-A232 HydrophobicContact CE1-CB 3.72Å; F228-A232 HydrophobicContact CE2-CB 4.01Å; F228-A232 HydrophobicContact CZ-CB 3.59Å; F228-A232 WeakPolarHBondContact O-CB 3.38Å; F228-A232 PolarHBondContact O-N 3.11Å; A232-D234 PolarHBondContact O-N 3.18Å; A232-A237 HydrophobicContact CB-CB 4.27Å
233K95.2Very high96.2Very high182 Ų18253.6 Ų53.679%0.79128%0.279SS*.  trans51.619.5179.7-59.5-176.5-179.3-1790115L229 E230 H231L229-K233 WeakPolarHBondContact O-CA 3.38Å; L229-K233 PolarHBondContact O-N 3.32Å; E230-K233 WeakPolarHBondContact O-CE 3.48Å; H231-K233 VanDerWaalsContact C-N 3.33Å; H231-K233 PolarHBondContact O-N 2.91Å
234D93.5Very high96.2Very high85 Ų8551.2 Ų51.246%0.45526%0.262SS..  trans-137.3120.8177.9175.916.8000109.7L229 A232 A236 A237L229-D234 WeakPolarHBondContact CD2-O 3.39Å; A232-D234 PolarHBondContact O-N 3.18Å; D234-A236 VanDerWaalsContact C-N 3.28Å; D234-A236 PolarHBondContact O-N 3.25Å; D234-A236 WeakPolarHBondContact OD1-CB 3.48Å; D234-A236 PolarHBondContact OD1-N 2.92Å; D234-A237 HydrophobicContact CB-CB 4.28Å; D234-A237 WeakPolarHBondContact O-CB 3.48Å; D234-A237 PolarHBondContact O-N 2.95Å
235K92Very high96.1Very high177 Ų17751.2 Ų51.277%0.7726%0.262SS*.G310 helixtrans-66.9-30.1178.2-69.5-176.6178.4179.90112.3L229 A237 V238L229-K235 HydrophobicContact CD2-CG 4.44Å; K235-A237 PolarHBondContact O-N 2.86Å; K235-V238 WeakPolarHBondContact O-CB 3.26Å; K235-V238 WeakPolarHBondContact O-CG2 3.4Å; K235-V238 PolarHBondContact O-N 2.93Å
236A91.5Very high96Very high71 Ų7149.2 Ų49.259%0.58725%0.254SS*.G310 helixtrans-67.5-24.4178.400000112.1D234 V238 A239D234-A236 VanDerWaalsContact C-N 3.28Å; D234-A236 PolarHBondContact O-N 3.25Å; D234-A236 WeakPolarHBondContact OD1-CB 3.48Å; D234-A236 PolarHBondContact OD1-N 2.92Å; A236-V238 PolarHBondContact O-N 3.42Å; A236-A239 PolarHBondContact O-N 3.02Å
237A94.4Very high95.5Very high5 Ų550.1 Ų50.14%0.04125%0.254CS..G310 helixtrans-66-19.7176.700000113.6Y143 F228 A232 D234 K235 A239 K240Y143-A237 HydrophobicContact CG-CB 4.5Å; F228-A237 HydrophobicContact CE1-CB 3.97Å; F228-A237 HydrophobicContact CZ-CB 3.81Å; A232-A237 HydrophobicContact CB-CB 4.27Å; D234-A237 HydrophobicContact CB-CB 4.28Å; D234-A237 WeakPolarHBondContact O-CB 3.48Å; D234-A237 PolarHBondContact O-N 2.95Å; K235-A237 PolarHBondContact O-N 2.86Å; A237-A239 PolarHBondContact O-N 2.9Å; A237-K240 PolarHBondContact O-N 3.18Å
238V93.9Very high95.2Very high5 Ų550.1 Ų50.13%0.0326%0.258CS..Hα-helixtrans-56.3-39.7177.1173.60000111.3K225 F228 L229 K235 A236 K240 H241 F242K225-V238 HydrophobicContact CG-CG2 4.42Å; F228-V238 HydrophobicContact CD1-CG2 4.29Å; F228-V238 HydrophobicContact CE1-CG2 4.17Å; L229-V238 HydrophobicContact CD2-CG2 3.93Å; L229-V238 HydrophobicContact CG-CG2 4.37Å; K235-V238 WeakPolarHBondContact O-CB 3.26Å; K235-V238 WeakPolarHBondContact O-CG2 3.4Å; K235-V238 PolarHBondContact O-N 2.93Å; A236-V238 PolarHBondContact O-N 3.42Å; V238-K240 PolarHBondContact O-N 3.26Å; V238-K240 VanDerWaalsContact O-N 3.08Å; V238-H241 PolarHBondContact O-N 3.29Å; V238-F242 HydrophobicContact CB-CD2 4.43Å; V238-F242 HydrophobicContact CG1-CB 4.04Å; V238-F242 HydrophobicContact CG1-CD2 3.75Å; V238-F242 HydrophobicContact CG1-CG 4.05Å; V238-F242 PolarHBondContact O-N 3.09Å
239A91.8Very high95Very high29 Ų2951.8 Ų51.824%0.2427%0.272CS..Hα-helixtrans-62.4-19.3-179.800000113.8A236 A237 D258 N261A236-A239 PolarHBondContact O-N 3.02Å; A237-A239 PolarHBondContact O-N 2.9Å; A239-D258 HydrophobicContact CB-CB 4.24Å; A239-N261 PolarHBondContact O-ND2 3.04Å
240K95.3Very high94.9Very high98 Ų9853.8 Ų53.843%0.42629%0.287SS..Hα-helixtrans-89.3-16.8176.2-62.9-179.5-179.4178.10113.4W140 A237 V238W140-K240 PolarHBondContact NE1-O 3.4Å; A237-K240 PolarHBondContact O-N 3.18Å; V238-K240 PolarHBondContact O-N 3.26Å; V238-K240 VanDerWaalsContact O-N 3.08Å
241H98.3Very high94.7Very high0 Ų052 Ų520%028%0.277CS..Hα-helixtrans-122.6-4.9-171.4-72.7-90.9000113.8G142 Y143 T200 T203 F205 F228 V238G142-H241 WeakPolarHBondContact CA-NE2 3.38Å; Y143-H241 AromaticContact CD1-NE2 3.52Å; Y143-H241 PolarHBondContact N-NE2 2.87Å; T200-H241 PolarHBondContact O-CE1 3.49Å; T203-H241 PolarHBondContact O-ND1 3.33Å; F205-H241 PolarHBondContact N-O 3.37Å; F228-H241 HydrophobicContact CD2-CB 4.24Å; F228-H241 HydrophobicContact CE1-CB 4.48Å; F228-H241 HydrophobicContact CE2-CB 3.78Å; F228-H241 AromaticContact CE2-CD2 3.36Å; F228-H241 WeakPolarHBondContact CE2-CD2 3.11Å; F228-H241 AromaticContact CE2-CG 3.35Å; F228-H241 AromaticContact CE2-ND1 3.77Å; F228-H241 AromaticContact CE2-NE2 3.8Å; F228-H241 HydrophobicContact CZ-CB 3.91Å; F228-H241 AromaticContact CZ-CD2 3.34Å; F228-H241 WeakPolarHBondContact CZ-CD2 3.41Å; F228-H241 AromaticContact CZ-CG 3.66Å; V238-H241 PolarHBondContact O-N 3.29Å
242F98.4Very high94.7Very high0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-132.7128.4179.4-68.5-101.1000110.6F205 I207 A224 K225 F228 V238 F255 I257F205-F242 HydrophobicContact CB-CD1 3.6Å; F205-F242 HydrophobicContact CB-CE1 3.6Å; F205-F242 HydrophobicContact CB-CG 4.19Å; F205-F242 HydrophobicContact CB-CZ 4.19Å; F205-F242 HydrophobicContact CD1-CE1 4.49Å; F205-F242 HydrophobicContact CD2-CD1 4.39Å; F205-F242 HydrophobicContact CD2-CD2 4.48Å; F205-F242 AromaticContact CD2-CE1 3.77Å; F205-F242 HydrophobicContact CD2-CE1 3.77Å; F205-F242 AromaticContact CD2-CE2 3.87Å; F205-F242 HydrophobicContact CD2-CE2 3.87Å; F205-F242 AromaticContact CD2-CZ 3.46Å; F205-F242 HydrophobicContact CD2-CZ 3.46Å; F205-F242 VanDerWaalsContact CD2-CZ 3.46Å; F205-F242 HydrophobicContact CE2-CE2 4.48Å; F205-F242 HydrophobicContact CE2-CZ 4.02Å; F205-F242 HydrophobicContact CG-CD1 4.21Å; F205-F242 AromaticContact CG-CE1 3.7Å; F205-F242 HydrophobicContact CG-CE1 3.7Å; F205-F242 AromaticContact CG-CZ 3.9Å; F205-F242 HydrophobicContact CG-CZ 3.9Å; F205-F242 WeakPolarHBondContact O-CA 3.4Å; I207-F242 HydrophobicContact CD1-CD1 4.1Å; I207-F242 HydrophobicContact CD1-CE1 4.42Å; I207-F242 HydrophobicContact CG1-CD1 4.22Å; A224-F242 HydrophobicContact CB-CE1 4.23Å; A224-F242 HydrophobicContact CB-CZ 4.39Å; K225-F242 HydrophobicContact CB-CE1 4.21Å; K225-F242 HydrophobicContact CB-CZ 4.04Å; F228-F242 HydrophobicContact CB-CE2 4.04Å; F228-F242 HydrophobicContact CB-CZ 4.23Å; F228-F242 AromaticContact CD1-CE2 3.93Å; F228-F242 HydrophobicContact CD1-CE2 3.93Å; F228-F242 AromaticContact CG-CE2 3.92Å; F228-F242 HydrophobicContact CG-CE2 3.92Å; V238-F242 HydrophobicContact CB-CD2 4.43Å; V238-F242 HydrophobicContact CG1-CB 4.04Å; V238-F242 HydrophobicContact CG1-CD2 3.75Å; V238-F242 HydrophobicContact CG1-CG 4.05Å; V238-F242 PolarHBondContact O-N 3.09Å; F242-F255 HydrophobicContact CD1-CE1 4.07Å; F242-F255 HydrophobicContact CD1-CZ 4.5Å; F242-I257 HydrophobicContact CB-CD1 4Å; F242-I257 HydrophobicContact CB-CG1 3.68Å
243V98.5Very high94.5Very high0 Ų053.7 Ų53.70%028%0.281CS..EExtended strand (participates in β ladder)trans-125.3156.5170.7-54.50000109.7F131 L204 F205 I206 I207 N261 F263F131-V243 HydrophobicContact CE1-CG1 4.45Å; F131-V243 HydrophobicContact CE2-CG1 4.04Å; F131-V243 HydrophobicContact CZ-CG1 3.67Å; L204-V243 HydrophobicContact CD1-CG1 4.19Å; F205-V243 PolarHBondContact O-N 3.36Å; I206-V243 HydrophobicContact CB-CG2 4.19Å; I206-V243 HydrophobicContact CG1-CG2 3.72Å; I206-V243 HydrophobicContact CG2-CG2 4.31Å; I207-V243 PolarHBondContact N-O 2.93Å; V243-N261 HydrophobicContact CB-CB 4.29Å; V243-N261 WeakPolarHBondContact CB-O 3.5Å; V243-N261 HydrophobicContact CG1-CB 3.93Å; V243-F263 HydrophobicContact CB-CE2 4.19Å
244A98.3Very high94.4Very high0 Ų050.7 Ų50.70%027%0.273CS..EExtended strand (participates in β ladder)trans-119.6138.7-176.900000111.7F212 V252 I257 N261 M262 F263F212-A244 HydrophobicContact CE2-CB 3.82Å; F212-A244 HydrophobicContact CZ-CB 4.27Å; A244-V252 HydrophobicContact CB-CB 4.29Å; A244-V252 HydrophobicContact CB-CG1 3.58Å; A244-V252 HydrophobicContact CB-CG2 3.64Å; A244-I257 HydrophobicContact CB-CD1 4.06Å; A244-I257 HydrophobicContact CB-CG2 4.21Å; A244-N261 PolarHBondContact N-O 3.29Å; A244-M262 HydrophobicContact CB-CG 4.3Å; A244-M262 CarbonylContact O-C 3.59Å; A244-M262 WeakPolarHBondContact O-CA 3.46Å; A244-F263 PolarHBondContact O-N 2.98Å
245L97.9Very high94.3Very high0 Ų047.4 Ų47.40%026%0.255CS..EExtended strand (participates in β ladder)trans-112.3101168.4-41.6177.6000106.5I206 I207 A208 S209 F263 A278 I279 M281I206-L245 HydrophobicContact CG2-CD1 3.36Å; I206-L245 HydrophobicContact CG2-CD2 4.04Å; I206-L245 HydrophobicContact CG2-CG 3.53Å; I207-L245 PolarHBondContact O-N 3.44Å; A208-L245 HydrophobicContact CB-CB 4.49Å; A208-L245 HydrophobicContact CB-CD1 4.02Å; S209-L245 CarbonylContact C-O 3.5Å; S209-L245 PolarHBondContact N-O 2.75Å; L245-F263 WeakPolarHBondContact CA-O 3.25Å; L245-F263 HydrophobicContact CD2-CB 3.77Å; L245-F263 HydrophobicContact CD2-CD2 3.91Å; L245-F263 HydrophobicContact CD2-CG 4.12Å; L245-A278 VanDerWaalsContact CD1-O 3.31Å; L245-A278 WeakPolarHBondContact CD1-O 3.21Å; L245-A278 HydrophobicContact CD2-CB 4.41Å; L245-I279 HydrophobicContact CB-CD1 4.03Å; L245-I279 HydrophobicContact CD1-CD1 4.26Å; L245-M281 HydrophobicContact CD1-CB 4.07Å; L245-M281 HydrophobicContact CD2-CB 3.94Å; L245-M281 HydrophobicContact CD2-CG 4.43Å
246S94.6Very high94.2Very high0 Ų041 Ų410%024%0.239CC..  trans-160.2168.8-167.4-161.30000113.1S209 K210 N248 F263 E264S209-S246 WeakPolarHBondContact O-CA 3.41Å; S209-S246 VanDerWaalsContact O-CB 3.27Å; S209-S246 WeakPolarHBondContact O-CB 3.31Å; S209-S246 PolarHBondContact O-OG 2.94Å; K210-S246 PolarHBondContact O-OG 3.13Å; S246-N248 PolarHBondContact OG-N 3.27Å; S246-F263 PolarHBondContact N-O 3.27Å; S246-E264 WeakPolarHBondContact O-CA 3.32Å
247T88.4Confident94.2Very high68 Ų6837.8 Ų37.842%0.41721%0.212SC..SBendtrans-110.14.3170.177.20000111.9K210 F265K210-T247 HydrophobicContact CG-CG2 4.02Å; K210-T247 PolarHBondContact O-N 2.87Å; K210-T247 PolarHBondContact O-OG1 3.45Å; T247-F265 HydrophobicContact CG2-CD1 4.29Å; T247-F265 HydrophobicContact CG2-CD2 4Å; T247-F265 HydrophobicContact CG2-CE1 4.37Å; T247-F265 HydrophobicContact CG2-CE2 4.11Å; T247-F265 HydrophobicContact CG2-CG 4.13Å; T247-F265 HydrophobicContact CG2-CZ 4.31Å; T247-F265 WeakPolarHBondContact CG2-O 3.47Å
248N92.4Very high94Very high43 Ų4341 Ų4123%0.2323%0.229CC..  trans-118.574.8-169.1-165.8-18.1000112.3T211 F212 S246 P250 K251 V252T211-N248 PolarHBondContact O-ND2 2.92Å; F212-N248 HydrophobicContact CB-CB 4.16Å; S246-N248 PolarHBondContact OG-N 3.27Å; N248-P250 VanDerWaalsContact C-CD 3.49Å; N248-P250 WeakPolarHBondContact OD1-CD 3.35Å; N248-K251 HydrophobicContact CB-CB 4.36Å; N248-K251 VanDerWaalsContact ND2-CG 3.3Å; N248-K251 WeakPolarHBondContact ND2-CG 3Å; N248-K251 PolarHBondContact O-N 3.35Å; N248-K251 VanDerWaalsContact O-N 3.15Å; N248-K251 PolarHBondContact OD1-N 2.9Å; N248-V252 WeakPolarHBondContact O-CG2 3.43Å; N248-V252 PolarHBondContact O-N 3.34Å; N248-V252 VanDerWaalsContact O-N 3.08Å
249A93.6Very high93.8Very high36 Ų3643.6 Ų43.630%0.29824%0.244SC..Hα-helixtrans-52.7-41.9-179.300000114.4K251 V252 K253 M262A249-K251 PolarHBondContact O-N 3.41Å; A249-V252 PolarHBondContact O-N 2.85Å; A249-K253 WeakPolarHBondContact O-CB 3.09Å; A249-K253 PolarHBondContact O-N 3.28Å; A249-M262 HydrophobicContact CB-CE 3.69Å; A249-M262 HydrophobicContact CB-SD 4.01Å
250P95.2Very high93.8Very high86 Ų8648.6 Ų48.656%0.55826%0.263SS*.Hα-helixtrans-56.6-48175.6-27.435.8000113.2N248 K253 D254N248-P250 VanDerWaalsContact C-CD 3.49Å; N248-P250 WeakPolarHBondContact OD1-CD 3.35Å; P250-K253 PolarHBondContact O-N 2.98Å; P250-D254 PolarHBondContact O-N 2.97Å
251K94.7Very high93.7Very high94 Ų9444.6 Ų44.641%0.40925%0.246SC..Hα-helixtrans-70.3-33.2-179.2-70.6-63.7-178.4-168.20113.5F212 T213 N248 A249 D254 F255F212-K251 HydrophobicContact CB-CB 3.91Å; F212-K251 HydrophobicContact CD1-CB 3.89Å; F212-K251 HydrophobicContact CG-CB 4.33Å; T213-K251 HydrophobicContact CG2-CG 4.4Å; N248-K251 HydrophobicContact CB-CB 4.36Å; N248-K251 VanDerWaalsContact ND2-CG 3.3Å; N248-K251 WeakPolarHBondContact ND2-CG 3Å; N248-K251 PolarHBondContact O-N 3.35Å; N248-K251 VanDerWaalsContact O-N 3.15Å; N248-K251 PolarHBondContact OD1-N 2.9Å; A249-K251 PolarHBondContact O-N 3.41Å; K251-D254 IonicContact NZ-OD2 3.56Å; K251-D254 PolarHBondContact O-N 3.31Å; K251-F255 PolarHBondContact O-N 3.44Å; K251-F255 VanDerWaalsContact O-N 3.09Å
252V93.7Very high93.6Very high0 Ų044.9 Ų44.90%025%0.247CC..Hα-helixtrans-62.6-45.3172.7171.70000110.7F212 A244 N248 A249 F255 G256 I257 M262F212-V252 HydrophobicContact CD1-CG2 4.13Å; F212-V252 HydrophobicContact CD2-CG2 3.79Å; F212-V252 HydrophobicContact CE1-CG2 4.18Å; F212-V252 HydrophobicContact CE2-CG2 3.85Å; F212-V252 HydrophobicContact CG-CG2 3.93Å; F212-V252 HydrophobicContact CZ-CG2 4.04Å; A244-V252 HydrophobicContact CB-CB 4.29Å; A244-V252 HydrophobicContact CB-CG1 3.58Å; A244-V252 HydrophobicContact CB-CG2 3.64Å; N248-V252 WeakPolarHBondContact O-CG2 3.43Å; N248-V252 PolarHBondContact O-N 3.34Å; N248-V252 VanDerWaalsContact O-N 3.08Å; A249-V252 PolarHBondContact O-N 2.85Å; V252-F255 PolarHBondContact O-N 2.84Å; V252-G256 PolarHBondContact O-N 2.97Å; V252-I257 HydrophobicContact CG1-CB 3.73Å; V252-I257 HydrophobicContact CG1-CG2 3.68Å; V252-I257 PolarHBondContact O-N 3.22Å; V252-M262 HydrophobicContact CB-SD 4.19Å; V252-M262 HydrophobicContact CG1-CB 4.3Å; V252-M262 HydrophobicContact CG1-CG 4.39Å; V252-M262 HydrophobicContact CG1-SD 4.41Å; V252-M262 HydrophobicContact CG2-CG 4.26Å; V252-M262 HydrophobicContact CG2-SD 3.83Å
253K93.1Very high93.6Very high148 Ų14845 Ų4564%0.64325%0.248SC*.Hα-helixtrans-64.8-44.8176.5-174178.9179179.40112A249 P250 F255 G256 T259A249-K253 WeakPolarHBondContact O-CB 3.09Å; A249-K253 PolarHBondContact O-N 3.28Å; P250-K253 PolarHBondContact O-N 2.98Å; K253-F255 PolarHBondContact O-N 3.24Å; K253-G256 WeakPolarHBondContact O-CA 3.46Å; K253-G256 PolarHBondContact O-N 3.45Å; K253-T259 HydrophobicContact CB-CG2 4.3Å
254D92.4Very high93.5Very high119 Ų11948.8 Ų48.864%0.63627%0.266SS*.Hα-helixtrans-57.7-35.4177-71.4-13.1000112P250 K251 G256P250-D254 PolarHBondContact O-N 2.97Å; K251-D254 IonicContact NZ-OD2 3.56Å; K251-D254 PolarHBondContact O-N 3.31Å; D254-G256 VanDerWaalsContact C-N 3.25Å; D254-G256 PolarHBondContact O-N 2.96Å
255F91.9Very high93.2Very high17 Ų1749.3 Ų49.38%0.07527%0.268CS..Hα-helixtrans-69.3-23.6176.2-176.7-88000113.1F212 A221 E222 K225 F242 K251 V252 K253 I257F212-F255 HydrophobicContact CE1-CB 3.73Å; F212-F255 HydrophobicContact CE1-CD2 4.39Å; F212-F255 HydrophobicContact CE1-CG 4.05Å; F212-F255 HydrophobicContact CZ-CB 4.44Å; F212-F255 HydrophobicContact CZ-CG 4.43Å; A221-F255 HydrophobicContact CB-CE2 3.76Å; A221-F255 HydrophobicContact CB-CZ 3.74Å; E222-F255 HydrophobicContact CG-CD2 4.48Å; E222-F255 HydrophobicContact CG-CE2 3.89Å; K225-F255 HydrophobicContact CB-CZ 4.06Å; K225-F255 HydrophobicContact CD-CD1 4.44Å; K225-F255 HydrophobicContact CD-CE1 3.88Å; K225-F255 HydrophobicContact CD-CE2 4.47Å; K225-F255 HydrophobicContact CD-CZ 3.9Å; K225-F255 PolarHBondContact NZ-O 2.91Å; F242-F255 HydrophobicContact CD1-CE1 4.07Å; F242-F255 HydrophobicContact CD1-CZ 4.5Å; K251-F255 PolarHBondContact O-N 3.44Å; K251-F255 VanDerWaalsContact O-N 3.09Å; V252-F255 PolarHBondContact O-N 2.84Å; K253-F255 PolarHBondContact O-N 3.24Å; F255-I257 HydrophobicContact CD1-CD1 3.61Å; F255-I257 HydrophobicContact CD1-CG1 3.82Å; F255-I257 HydrophobicContact CE1-CD1 3.94Å; F255-I257 HydrophobicContact CE1-CG1 4.26Å
256G90Very high93.2Very high41 Ų4151.8 Ų51.842%0.42328%0.277SS..THydrogen-bonded Turntrans103.415.5-179.900000114.8V252 K253 D254V252-G256 PolarHBondContact O-N 2.97Å; K253-G256 WeakPolarHBondContact O-CA 3.46Å; K253-G256 PolarHBondContact O-N 3.45Å; D254-G256 VanDerWaalsContact C-N 3.25Å; D254-G256 PolarHBondContact O-N 2.96Å
257I92.1Very high93.1Very high4 Ų455.8 Ų55.82%0.02130%0.299CS..  trans-87.7137.2173.2-71160.7000109.2I207 F212 F242 A244 V252 F255 T259 N261I207-I257 HydrophobicContact CG1-CD1 4.17Å; F212-I257 HydrophobicContact CZ-CD1 4.09Å; F242-I257 HydrophobicContact CB-CD1 4Å; F242-I257 HydrophobicContact CB-CG1 3.68Å; A244-I257 HydrophobicContact CB-CD1 4.06Å; A244-I257 HydrophobicContact CB-CG2 4.21Å; V252-I257 HydrophobicContact CG1-CB 3.73Å; V252-I257 HydrophobicContact CG1-CG2 3.68Å; V252-I257 PolarHBondContact O-N 3.22Å; F255-I257 HydrophobicContact CD1-CD1 3.61Å; F255-I257 HydrophobicContact CD1-CG1 3.82Å; F255-I257 HydrophobicContact CE1-CD1 3.94Å; F255-I257 HydrophobicContact CE1-CG1 4.26Å; I257-T259 PolarHBondContact O-N 3.48Å; I257-N261 HydrophobicContact CG2-CB 4.28Å
258D89.7Confident93.5Very high74 Ų7453 Ų5340%0.39628%0.281SS..  trans-62.3129.2171.2-168.7-23.4000109.7A239 E260 N261A239-D258 HydrophobicContact CB-CB 4.24Å; D258-E260 PolarHBondContact O-N 3.07Å; D258-E260 WeakPolarHBondContact OD1-CB 3.24Å; D258-E260 PolarHBondContact OD1-N 3.09Å; D258-N261 HydrophobicContact CB-CB 4.45Å; D258-N261 CarbonylContact O-C 3.55Å; D258-N261 WeakPolarHBondContact O-CA 3.31Å; D258-N261 WeakPolarHBondContact O-CB 3.46Å; D258-N261 PolarHBondContact O-N 2.78Å
259T89.6Confident93.7Very high59 Ų5951 Ų5136%0.36227%0.27SS..G310 helixtrans-63.4-23.5178.246.60000112.5K253 I257 N261 M262K253-T259 HydrophobicContact CB-CG2 4.3Å; I257-T259 PolarHBondContact O-N 3.48Å; T259-N261 PolarHBondContact O-N 2.91Å; T259-M262 VanDerWaalsContact O-CB 3.31Å; T259-M262 WeakPolarHBondContact O-CB 3.31Å; T259-M262 PolarHBondContact O-N 3.49Å
260E92.6Very high93.7Very high134 Ų13450.3 Ų50.363%0.62627%0.266SS*.G310 helixtrans-63.5-23.9168.9-70.8-58.4135.100112.3K127 D258K127-E260 WeakPolarHBondContact CE-O 3.11Å; K127-E260 PolarHBondContact NZ-O 3.31Å; D258-E260 PolarHBondContact O-N 3.07Å; D258-E260 WeakPolarHBondContact OD1-CB 3.24Å; D258-E260 PolarHBondContact OD1-N 3.09Å
261N92.6Very high93.7Very high13 Ų1347.8 Ų47.87%0.0726%0.256CS..G310 helixtrans-96.113.9174.3-65.8-23.6000113.2A239 V243 A244 I257 D258 T259A239-N261 PolarHBondContact O-ND2 3.04Å; V243-N261 HydrophobicContact CB-CB 4.29Å; V243-N261 WeakPolarHBondContact CB-O 3.5Å; V243-N261 HydrophobicContact CG1-CB 3.93Å; A244-N261 PolarHBondContact N-O 3.29Å; I257-N261 HydrophobicContact CG2-CB 4.28Å; D258-N261 HydrophobicContact CB-CB 4.45Å; D258-N261 CarbonylContact O-C 3.55Å; D258-N261 WeakPolarHBondContact O-CA 3.31Å; D258-N261 WeakPolarHBondContact O-CB 3.46Å; D258-N261 PolarHBondContact O-N 2.78Å; T259-N261 PolarHBondContact O-N 2.91Å
262M96.6Very high93.8Very high6 Ų643.5 Ų43.53%0.0324%0.237CC..EExtended strand (participates in β ladder)trans-90.6129168.3-169-178.765.100110.4K127 A244 A249 V252 T259 E264K127-M262 PolarHBondContact NZ-O 3.04Å; A244-M262 HydrophobicContact CB-CG 4.3Å; A244-M262 CarbonylContact O-C 3.59Å; A244-M262 WeakPolarHBondContact O-CA 3.46Å; A249-M262 HydrophobicContact CB-CE 3.69Å; A249-M262 HydrophobicContact CB-SD 4.01Å; V252-M262 HydrophobicContact CB-SD 4.19Å; V252-M262 HydrophobicContact CG1-CB 4.3Å; V252-M262 HydrophobicContact CG1-CG 4.39Å; V252-M262 HydrophobicContact CG1-SD 4.41Å; V252-M262 HydrophobicContact CG2-CG 4.26Å; V252-M262 HydrophobicContact CG2-SD 3.83Å; T259-M262 VanDerWaalsContact O-CB 3.31Å; T259-M262 WeakPolarHBondContact O-CB 3.31Å; T259-M262 PolarHBondContact O-N 3.49Å; M262-E264 HydrophobicContact CE-CG 3.6Å; M262-E264 VanDerWaalsContact CE-OE1 3.3Å; M262-E264 WeakPolarHBondContact CE-OE1 3.34Å
263F97.9Very high94Very high2 Ų243.7 Ų43.71%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-108.4113.2174.7-59-96.8000108.4K127 M128 F131 V243 A244 L245 S246 A278 M281K127-F263 HydrophobicContact CB-CD1 4.48Å; K127-F263 HydrophobicContact CB-CE1 4.37Å; K127-F263 HydrophobicContact CD-CD1 3.99Å; K127-F263 HydrophobicContact CD-CE1 4.02Å; K127-F263 HydrophobicContact CG-CD1 4.05Å; K127-F263 HydrophobicContact CG-CE1 3.71Å; M128-F263 HydrophobicContact CG-CD1 3.84Å; M128-F263 HydrophobicContact CG-CE1 4.34Å; F131-F263 HydrophobicContact CB-CE1 3.99Å; F131-F263 HydrophobicContact CB-CZ 3.71Å; F131-F263 HydrophobicContact CD1-CE2 4.47Å; F131-F263 AromaticContact CD1-CZ 3.94Å; F131-F263 HydrophobicContact CD1-CZ 3.94Å; F131-F263 HydrophobicContact CD2-CZ 4.06Å; F131-F263 HydrophobicContact CG-CE1 4.37Å; F131-F263 HydrophobicContact CG-CE2 4.46Å; F131-F263 AromaticContact CG-CZ 3.63Å; F131-F263 HydrophobicContact CG-CZ 3.63Å; V243-F263 HydrophobicContact CB-CE2 4.19Å; A244-F263 PolarHBondContact O-N 2.98Å; L245-F263 WeakPolarHBondContact CA-O 3.25Å; L245-F263 HydrophobicContact CD2-CB 3.77Å; L245-F263 HydrophobicContact CD2-CD2 3.91Å; L245-F263 HydrophobicContact CD2-CG 4.12Å; S246-F263 PolarHBondContact N-O 3.27Å; F263-A278 HydrophobicContact CB-CB 3.72Å; F263-M281 HydrophobicContact CB-CE 4.5Å; F263-M281 HydrophobicContact CD1-CE 3.32Å; F263-M281 HydrophobicContact CD2-CE 3.7Å; F263-M281 HydrophobicContact CE1-CE 3.22Å; F263-M281 HydrophobicContact CE2-CE 3.64Å; F263-M281 HydrophobicContact CG-CE 3.57Å; F263-M281 HydrophobicContact CZ-CE 3.4Å
264E95.8Very high94.3Very high81 Ų8136.8 Ų36.838%0.37921%0.208SC..  trans-80.5155.7-170.4-66.2176.8151.600112.3V124 S246 M262V124-E264 WeakPolarHBondContact CG1-O 3.47Å; V124-E264 HydrophobicContact CG2-CB 4.33Å; S246-E264 WeakPolarHBondContact O-CA 3.32Å; M262-E264 HydrophobicContact CE-CG 3.6Å; M262-E264 VanDerWaalsContact CE-OE1 3.3Å; M262-E264 WeakPolarHBondContact CE-OE1 3.34Å
265F93.3Very high94.6Very high10 Ų1031.2 Ų31.24%0.04418%0.178CC..  trans-150.2-175.2163.462.8-84.3000108.8K210 T247 V269 A278 I279K210-F265 HydrophobicContact CB-CE2 3.75Å; K210-F265 HydrophobicContact CB-CZ 3.52Å; K210-F265 HydrophobicContact CD-CE2 3.89Å; K210-F265 HydrophobicContact CG-CE2 3.55Å; K210-F265 HydrophobicContact CG-CZ 3.8Å; T247-F265 HydrophobicContact CG2-CD1 4.29Å; T247-F265 HydrophobicContact CG2-CD2 4Å; T247-F265 HydrophobicContact CG2-CE1 4.37Å; T247-F265 HydrophobicContact CG2-CE2 4.11Å; T247-F265 HydrophobicContact CG2-CG 4.13Å; T247-F265 HydrophobicContact CG2-CZ 4.31Å; T247-F265 WeakPolarHBondContact CG2-O 3.47Å; F265-V269 HydrophobicContact CD2-CB 4.07Å; F265-V269 HydrophobicContact CD2-CG1 4.34Å; F265-A278 HydrophobicContact CD1-CB 4.4Å; F265-I279 HydrophobicContact CE1-CD1 4.07Å; F265-I279 HydrophobicContact CE1-CG1 4.31Å; F265-I279 HydrophobicContact CZ-CD1 4.19Å; F265-I279 HydrophobicContact CZ-CG1 4.36Å
266W96.5Very high94.9Very high52 Ų5230.4 Ų30.420%0.19718%0.175CC..  trans-121.8166.6-165.9-53.1-83.8000113.5L102 E120 V121 V124 W268 V269L102-W266 HydrophobicContact CD2-CE3 4.09Å; L102-W266 HydrophobicContact CD2-CZ3 3.68Å; E120-W266 HydrophobicContact CB-CZ2 3.63Å; V121-W266 HydrophobicContact CB-CH2 4.28Å; V121-W266 HydrophobicContact CG2-CE3 4.47Å; V121-W266 HydrophobicContact CG2-CH2 3.81Å; V121-W266 HydrophobicContact CG2-CZ3 3.7Å; V124-W266 HydrophobicContact CG2-CH2 4.12Å; V124-W266 HydrophobicContact CG2-CZ2 4.29Å; W266-W268 VanDerWaalsContact C-N 3.3Å; W266-W268 HydrophobicContact CB-CD2 3.85Å; W266-W268 HydrophobicContact CB-CG 4.05Å; W266-W268 HydrophobicContact CB-CZ2 3.87Å; W266-W268 AromaticContact CD2-CE2 3.9Å; W266-W268 HydrophobicContact CD2-CH2 4.01Å; W266-W268 AromaticContact CD2-CZ2 3.39Å; W266-W268 HydrophobicContact CD2-CZ2 3.39Å; W266-W268 AromaticContact CE3-CE2 3.95Å; W266-W268 AromaticContact CE3-CH2 3.25Å; W266-W268 HydrophobicContact CE3-CH2 3.25Å; W266-W268 AromaticContact CE3-CZ2 3.15Å; W266-W268 HydrophobicContact CE3-CZ2 3.15Å; W266-W268 HydrophobicContact CE3-CZ3 4.09Å; W266-W268 AromaticContact CG-CE2 3.67Å; W266-W268 AromaticContact CG-CZ2 3.7Å; W266-W268 HydrophobicContact CG-CZ2 3.7Å; W266-W268 AromaticContact CG-NE1 3.58Å; W266-W268 AromaticContact CZ3-CH2 3.81Å; W266-W268 HydrophobicContact CZ3-CH2 3.81Å; W266-W268 AromaticContact CZ3-CZ2 3.99Å; W266-W268 HydrophobicContact CZ3-CZ2 3.99Å; W266-W268 PolarHBondContact O-N 2.86Å; W266-V269 HydrophobicContact CB-CG2 4.48Å; W266-V269 HydrophobicContact CE3-CG2 4.18Å; W266-V269 WeakPolarHBondContact O-CB 3.38Å; W266-V269 PolarHBondContact O-N 3.49Å; W266-V269 VanDerWaalsContact O-N 3.12Å
267D92.9Very high95.3Very high84 Ų8428.7 Ų28.745%0.44916%0.156SC..THydrogen-bonded Turntrans-65.2-32.3-179.168.6-16.4000113.2K210 V269K210-D267 PolarHBondContact NZ-O 2.98Å; D267-V269 PolarHBondContact O-N 3.4Å
268W96.4Very high95.6Very high11 Ų1128.5 Ų28.54%0.04216%0.156CC..THydrogen-bonded Turntrans-71.5-4.717452.8-105.1000114.3A96 L98 A101 L102 V117 V121 W266 G270A96-W268 HydrophobicContact CB-CB 3.92Å; A96-W268 VanDerWaalsContact O-CA 3.23Å; A96-W268 WeakPolarHBondContact O-CA 3.28Å; A96-W268 WeakPolarHBondContact O-CB 3.42Å; L98-W268 HydrophobicContact CB-CB 4.46Å; L98-W268 HydrophobicContact CB-CD2 3.74Å; L98-W268 HydrophobicContact CB-CE3 3.32Å; L98-W268 HydrophobicContact CB-CG 4.26Å; L98-W268 HydrophobicContact CB-CH2 4.46Å; L98-W268 HydrophobicContact CB-CZ3 3.73Å; L98-W268 HydrophobicContact CD1-CD2 4.41Å; L98-W268 PolarHBondContact N-O 2.65Å; L98-W268 WeakPolarHBondContact O-CZ3 3.43Å; A101-W268 HydrophobicContact CB-CH2 4.17Å; A101-W268 HydrophobicContact CB-CZ3 4.36Å; L102-W268 HydrophobicContact CD1-CZ3 4.48Å; L102-W268 HydrophobicContact CD2-CH2 3.62Å; L102-W268 HydrophobicContact CD2-CZ3 3.66Å; L102-W268 HydrophobicContact CG-CH2 4.23Å; L102-W268 HydrophobicContact CG-CZ3 3.85Å; V117-W268 HydrophobicContact CB-CZ2 4.07Å; V117-W268 HydrophobicContact CG1-CZ2 4.36Å; V117-W268 HydrophobicContact CG2-CZ2 4.19Å; V121-W268 HydrophobicContact CG2-CH2 4Å; V121-W268 HydrophobicContact CG2-CZ2 4.4Å; W266-W268 VanDerWaalsContact C-N 3.3Å; W266-W268 HydrophobicContact CB-CD2 3.85Å; W266-W268 HydrophobicContact CB-CG 4.05Å; W266-W268 HydrophobicContact CB-CZ2 3.87Å; W266-W268 AromaticContact CD2-CE2 3.9Å; W266-W268 HydrophobicContact CD2-CH2 4.01Å; W266-W268 AromaticContact CD2-CZ2 3.39Å; W266-W268 HydrophobicContact CD2-CZ2 3.39Å; W266-W268 AromaticContact CE3-CE2 3.95Å; W266-W268 AromaticContact CE3-CH2 3.25Å; W266-W268 HydrophobicContact CE3-CH2 3.25Å; W266-W268 AromaticContact CE3-CZ2 3.15Å; W266-W268 HydrophobicContact CE3-CZ2 3.15Å; W266-W268 HydrophobicContact CE3-CZ3 4.09Å; W266-W268 AromaticContact CG-CE2 3.67Å; W266-W268 AromaticContact CG-CZ2 3.7Å; W266-W268 HydrophobicContact CG-CZ2 3.7Å; W266-W268 AromaticContact CG-NE1 3.58Å; W266-W268 AromaticContact CZ3-CH2 3.81Å; W266-W268 HydrophobicContact CZ3-CH2 3.81Å; W266-W268 AromaticContact CZ3-CZ2 3.99Å; W266-W268 HydrophobicContact CZ3-CZ2 3.99Å; W266-W268 PolarHBondContact O-N 2.86Å; W268-G270 PolarHBondContact O-N 3.27Å
269V96.3Very high96.1Very high0 Ų025 Ų250%014%0.137CC..SBendtrans-88102.5167.7-173.40000108.5L102 K210 F265 W266 D267L102-V269 HydrophobicContact CD1-CG1 3.98Å; L102-V269 HydrophobicContact CD1-CG2 4Å; L102-V269 HydrophobicContact CD2-CG2 4.06Å; L102-V269 HydrophobicContact CG-CG2 4.43Å; K210-V269 PolarHBondContact NZ-O 3.09Å; F265-V269 HydrophobicContact CD2-CB 4.07Å; F265-V269 HydrophobicContact CD2-CG1 4.34Å; W266-V269 HydrophobicContact CB-CG2 4.48Å; W266-V269 HydrophobicContact CE3-CG2 4.18Å; W266-V269 WeakPolarHBondContact O-CB 3.38Å; W266-V269 PolarHBondContact O-N 3.49Å; W266-V269 VanDerWaalsContact O-N 3.12Å; D267-V269 PolarHBondContact O-N 3.4Å
270G94.8Very high96.5Very high21 Ų2122.2 Ų22.222%0.21612%0.12CC..  trans-67.6141.5170.500000110.8W268 R272 F273 S274W268-G270 PolarHBondContact O-N 3.27Å; G270-R272 PolarHBondContact O-N 3.19Å; G270-F273 CarbonylContact O-C 3.57Å; G270-F273 WeakPolarHBondContact O-CA 3.43Å; G270-F273 PolarHBondContact O-N 2.97Å; G270-S274 PolarHBondContact O-N 3.37Å
271G94.1Very high96.8Very high34 Ų3415.8 Ų15.835%0.3519%0.09SC..G310 helixtrans-56-47.7-174.800000113.1G158 F273 S274G158-G271 CarbonylContact C-O 3.5Å; G158-G271 VanDerWaalsContact CA-O 3.26Å; G158-G271 WeakPolarHBondContact CA-O 3.49Å; G271-F273 PolarHBondContact O-N 3.17Å; G271-F273 VanDerWaalsContact O-N 3.15Å; G271-S274 VanDerWaalsContact O-CB 3.23Å; G271-S274 WeakPolarHBondContact O-CB 3.42Å; G271-S274 PolarHBondContact O-N 3.24Å; G271-S274 PolarHBondContact O-OG 3.29Å
272R97.9Very high97.1Very high4 Ų415.2 Ų15.22%0.0159%0.087CC..G310 helixtrans-70.9-1177.466.1-172.9164.2-86.80.2115.2G270 Y350 Q353 E357 S358 S508 D510G270-R272 PolarHBondContact O-N 3.19Å; R272-Y350 PolarHBondContact O-OH 3.34Å; R272-Q353 HydrophobicContact CB-CG 3.88Å; R272-E357 WeakPolarHBondContact CD-OE2 3.47Å; R272-E357 IonicContact CZ-OE2 3.86Å; R272-E357 IonicContact NE-OE2 3.4Å; R272-E357 IonicContact NH1-OE2 3.36Å; R272-E357 PolarHBondContact NH1-OE2 2.99Å; R272-S358 WeakPolarHBondContact CD-OG 3.21Å; R272-S358 PolarHBondContact NE-OG 2.78Å; R272-S508 PolarHBondContact NH2-O 3.42Å; R272-D510 PolarHBondContact NH2-O 3.41Å
273F98.5Very high97.2Very high3 Ų314.9 Ų14.91%0.0139%0.085CC..G310 helixtrans-123.221.3175.4-58.2-79.6000111.5H99 G270 G271 W276 E494 F509H99-F273 HydrophobicContact CB-CB 3.81Å; H99-F273 AromaticContact ND1-CG 3.97Å; G270-F273 CarbonylContact O-C 3.57Å; G270-F273 WeakPolarHBondContact O-CA 3.43Å; G270-F273 PolarHBondContact O-N 2.97Å; G271-F273 PolarHBondContact O-N 3.17Å; G271-F273 VanDerWaalsContact O-N 3.15Å; F273-W276 VanDerWaalsContact O-CD1 3.23Å; F273-E494 HydrophobicContact CD1-CB 4.26Å; F273-E494 HydrophobicContact CD1-CG 3.76Å; F273-E494 HydrophobicContact CE1-CB 4Å; F273-E494 HydrophobicContact CE1-CG 3.83Å; F273-F509 HydrophobicContact CD2-CD1 4.42Å; F273-F509 AromaticContact CE2-CD1 3.84Å; F273-F509 HydrophobicContact CE2-CD1 3.84Å; F273-F509 AromaticContact CE2-CE1 3.96Å; F273-F509 HydrophobicContact CE2-CE1 3.96Å; F273-F509 HydrophobicContact CZ-CD1 4.4Å; F273-F509 HydrophobicContact CZ-CE1 4.08Å
274S98.4Very high97.2Very high3 Ų314.8 Ų14.82%0.0219%0.085CC..  trans-98-12.5-165.369.50000115.3G158 G270 G271 W276 S277 I279G158-S274 PolarHBondContact O-OG 3.47Å; G270-S274 PolarHBondContact O-N 3.37Å; G271-S274 VanDerWaalsContact O-CB 3.23Å; G271-S274 WeakPolarHBondContact O-CB 3.42Å; G271-S274 PolarHBondContact O-N 3.24Å; G271-S274 PolarHBondContact O-OG 3.29Å; S274-W276 PolarHBondContact O-N 3.3Å; S274-S277 WeakPolarHBondContact O-CB 3.11Å; S274-S277 PolarHBondContact O-N 3.02Å; S274-S277 PolarHBondContact O-OG 3.42Å; S274-I279 WeakPolarHBondContact O-CB 3.35Å
275L98.7Very high97.4Very high2 Ų211 Ų111%0.017%0.067CC..THydrogen-bonded Turntrans-57.9-20-173.972.284000114.2V166 S277 G280 I283 L295 Y350 I490V166-L275 HydrophobicContact CG2-CD1 4.37Å; V166-L275 HydrophobicContact CG2-CD2 4.13Å; L275-S277 VanDerWaalsContact C-N 3.32Å; L275-G280 WeakPolarHBondContact O-CA 3.49Å; L275-G280 PolarHBondContact O-N 3.38Å; L275-I283 HydrophobicContact CB-CD1 4.32Å; L275-I283 HydrophobicContact CD1-CD1 4.49Å; L275-L295 HydrophobicContact CD1-CD2 4.33Å; L275-Y350 HydrophobicContact CD2-CE2 3.7Å; L275-Y350 VanDerWaalsContact CD2-OH 3.31Å; L275-Y350 WeakPolarHBondContact CD2-OH 3.39Å; L275-I490 HydrophobicContact CD2-CD1 4.41Å
276W98.9Very high97.6Very high0 Ų010.9 Ų10.90%07%0.066CC..THydrogen-bonded Turntrans-77.1-16.7177.7-39.4108.1000113.5L102 R103 F273 S274 L295 L296 A299 I490 E494L102-W276 HydrophobicContact CB-CB 3.76Å; L102-W276 HydrophobicContact CD1-CB 3.9Å; R103-W276 VanDerWaalsContact NH1-NE1 3.2Å; F273-W276 VanDerWaalsContact O-CD1 3.23Å; S274-W276 PolarHBondContact O-N 3.3Å; W276-L295 HydrophobicContact CE3-CG 4.49Å; W276-L295 HydrophobicContact CZ3-CD1 4.13Å; W276-L295 HydrophobicContact CZ3-CG 3.91Å; W276-L296 HydrophobicContact CB-CD2 3.99Å; W276-L296 HydrophobicContact CE3-CD2 3.93Å; W276-A299 HydrophobicContact CE3-CB 4.11Å; W276-A299 HydrophobicContact CH2-CB 3.62Å; W276-A299 HydrophobicContact CZ2-CB 4.34Å; W276-A299 HydrophobicContact CZ3-CB 3.49Å; W276-A299 VanDerWaalsContact CZ3-CB 3.49Å; W276-I490 HydrophobicContact CH2-CB 3.84Å; W276-I490 HydrophobicContact CH2-CD1 4.09Å; W276-I490 HydrophobicContact CH2-CG2 3.94Å; W276-I490 HydrophobicContact CZ2-CB 3.9Å; W276-I490 HydrophobicContact CZ2-CG2 3.47Å; W276-I490 VanDerWaalsContact CZ2-CG2 3.47Å; W276-E494 PolarHBondContact NE1-OE1 2.94Å
277S98.6Very high97.8Very high5 Ų58.5 Ų8.54%0.0356%0.058CC..SBendtrans-92.2-161.1-17772.80000112.1S274 L275 I279 G280S274-S277 WeakPolarHBondContact O-CB 3.11Å; S274-S277 PolarHBondContact O-N 3.02Å; S274-S277 PolarHBondContact O-OG 3.42Å; L275-S277 VanDerWaalsContact C-N 3.32Å; S277-I279 PolarHBondContact O-N 2.82Å; S277-I279 VanDerWaalsContact O-N 3.11Å; S277-I279 PolarHBondContact OG-N 3.44Å; S277-G280 PolarHBondContact O-N 2.94Å
278A98.4Very high98Very high1 Ų14.9 Ų4.91%0.0084%0.041CC..G310 helixtrans-46.5-33.8165.200000113.6V124 L245 F263 F265 G280 M281V124-A278 HydrophobicContact CG1-CB 4.17Å; L245-A278 VanDerWaalsContact CD1-O 3.31Å; L245-A278 WeakPolarHBondContact CD1-O 3.21Å; L245-A278 HydrophobicContact CD2-CB 4.41Å; F263-A278 HydrophobicContact CB-CB 3.72Å; F265-A278 HydrophobicContact CD1-CB 4.4Å; A278-G280 PolarHBondContact O-N 2.98Å; A278-G280 VanDerWaalsContact O-N 3.09Å; A278-M281 VanDerWaalsContact O-CB 3.29Å; A278-M281 WeakPolarHBondContact O-CB 3.29Å; A278-M281 PolarHBondContact O-N 3.45Å
279I98.6Very high98.2Very high0 Ų05.1 Ų5.10%04%0.042CC..G310 helixtrans-53.7-28.6174.3-62.6-64.9000112.4P163 A208 L245 F265 S274 S277 M281P163-I279 HydrophobicContact CG-CG2 3.72Å; P163-I279 WeakPolarHBondContact CG-O 3.41Å; A208-I279 HydrophobicContact CB-CD1 4.08Å; L245-I279 HydrophobicContact CB-CD1 4.03Å; L245-I279 HydrophobicContact CD1-CD1 4.26Å; F265-I279 HydrophobicContact CE1-CD1 4.07Å; F265-I279 HydrophobicContact CE1-CG1 4.31Å; F265-I279 HydrophobicContact CZ-CD1 4.19Å; F265-I279 HydrophobicContact CZ-CG1 4.36Å; S274-I279 WeakPolarHBondContact O-CB 3.35Å; S277-I279 PolarHBondContact O-N 2.82Å; S277-I279 VanDerWaalsContact O-N 3.11Å; S277-I279 PolarHBondContact OG-N 3.44Å; I279-M281 PolarHBondContact O-N 2.75Å; I279-M281 VanDerWaalsContact O-N 3.15Å
280G98.7Very high98.3Very high0 Ų010.2 Ų10.20%07%0.069CC..G310 helixtrans-71.24.4173.700000115.6L275 S277 A278 A282 I283 A284L275-G280 WeakPolarHBondContact O-CA 3.49Å; L275-G280 PolarHBondContact O-N 3.38Å; S277-G280 PolarHBondContact O-N 2.94Å; A278-G280 PolarHBondContact O-N 2.98Å; A278-G280 VanDerWaalsContact O-N 3.09Å; G280-A282 VanDerWaalsContact C-N 3.34Å; G280-A282 PolarHBondContact O-N 3.17Å; G280-I283 WeakPolarHBondContact O-CA 3.32Å; G280-I283 VanDerWaalsContact O-CB 3.24Å; G280-I283 WeakPolarHBondContact O-CB 3.5Å; G280-I283 PolarHBondContact O-N 2.97Å; G280-A284 PolarHBondContact O-N 3.22Å
281M98.8Very high98.5Very high0 Ų010.6 Ų10.60%07%0.066CC..Hα-helixtrans-54.3-46.2-177.7-177.363.580.500113.1M128 F131 I206 L245 F263 A278 I279 I283 A284 L285M128-M281 HydrophobicContact CB-CE 4.03Å; M128-M281 HydrophobicContact CB-SD 4.46Å; M128-M281 HydrophobicContact CG-CE 3.62Å; M128-M281 HydrophobicContact CG-SD 4.45Å; F131-M281 HydrophobicContact CD1-CE 3.89Å; F131-M281 HydrophobicContact CD1-SD 3.7Å; F131-M281 HydrophobicContact CE1-SD 4.29Å; I206-M281 HydrophobicContact CD1-CB 4.26Å; I206-M281 HydrophobicContact CD1-CG 3.79Å; L245-M281 HydrophobicContact CD1-CB 4.07Å; L245-M281 HydrophobicContact CD2-CB 3.94Å; L245-M281 HydrophobicContact CD2-CG 4.43Å; F263-M281 HydrophobicContact CB-CE 4.5Å; F263-M281 HydrophobicContact CD1-CE 3.32Å; F263-M281 HydrophobicContact CD2-CE 3.7Å; F263-M281 HydrophobicContact CE1-CE 3.22Å; F263-M281 HydrophobicContact CE2-CE 3.64Å; F263-M281 HydrophobicContact CG-CE 3.57Å; F263-M281 HydrophobicContact CZ-CE 3.4Å; A278-M281 VanDerWaalsContact O-CB 3.29Å; A278-M281 WeakPolarHBondContact O-CB 3.29Å; A278-M281 PolarHBondContact O-N 3.45Å; I279-M281 PolarHBondContact O-N 2.75Å; I279-M281 VanDerWaalsContact O-N 3.15Å; M281-I283 PolarHBondContact O-N 2.87Å; M281-A284 PolarHBondContact O-N 3.34Å; M281-L285 HydrophobicContact CG-CD1 3.82Å; M281-L285 HydrophobicContact CG-CG 4.38Å; M281-L285 WeakPolarHBondContact O-CB 3.3Å; M281-L285 WeakPolarHBondContact O-CG 3.41Å; M281-L285 PolarHBondContact O-N 2.98Å; M281-L285 HydrophobicContact SD-CD1 4.23Å; M281-L285 HydrophobicContact SD-CG 4.27Å
282A98.8Very high98.7Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-62-34.5178.300000111.8N153 F182 I206 G280 H286N153-A282 HydrophobicContact CB-CB 4.23Å; F182-A282 HydrophobicContact CE1-CB 4.34Å; F182-A282 HydrophobicContact CZ-CB 4.49Å; I206-A282 HydrophobicContact CD1-CB 4.25Å; G280-A282 VanDerWaalsContact C-N 3.34Å; G280-A282 PolarHBondContact O-N 3.17Å; A282-H286 WeakPolarHBondContact O-CB 3.23Å; A282-H286 PolarHBondContact O-N 3.43Å; A282-H286 VanDerWaalsContact O-N 3.09Å
283I98.9Very high98.8Very high0 Ų011 Ų110%06%0.059CC..Hα-helixtrans-63.1-57174-53.4167.1000109.2P163 V166 T167 L275 G280 M281 L285 H286 I287 F292 L295P163-I283 HydrophobicContact CB-CG1 4.3Å; V166-I283 HydrophobicContact CB-CD1 3.77Å; V166-I283 HydrophobicContact CB-CG1 4.09Å; V166-I283 HydrophobicContact CB-CG2 4.42Å; V166-I283 HydrophobicContact CG1-CB 4.48Å; V166-I283 HydrophobicContact CG1-CD1 3.88Å; V166-I283 HydrophobicContact CG1-CG1 4.12Å; V166-I283 HydrophobicContact CG1-CG2 3.55Å; V166-I283 HydrophobicContact CG2-CD1 4.13Å; T167-I283 HydrophobicContact CG2-CB 4.37Å; T167-I283 HydrophobicContact CG2-CG1 4.17Å; L275-I283 HydrophobicContact CB-CD1 4.32Å; L275-I283 HydrophobicContact CD1-CD1 4.49Å; G280-I283 WeakPolarHBondContact O-CA 3.32Å; G280-I283 VanDerWaalsContact O-CB 3.24Å; G280-I283 WeakPolarHBondContact O-CB 3.5Å; G280-I283 PolarHBondContact O-N 2.97Å; M281-I283 PolarHBondContact O-N 2.87Å; I283-L285 VanDerWaalsContact C-N 3.29Å; I283-L285 PolarHBondContact O-N 3.29Å; I283-H286 PolarHBondContact O-N 3.14Å; I283-I287 HydrophobicContact CG2-CD1 3.73Å; I283-I287 HydrophobicContact CG2-CG1 4.12Å; I283-I287 WeakPolarHBondContact O-CG1 3.49Å; I283-I287 PolarHBondContact O-N 3.32Å; I283-F292 HydrophobicContact CB-CD2 4.17Å; I283-F292 HydrophobicContact CB-CE2 4.37Å; I283-F292 HydrophobicContact CD1-CE2 4.37Å; I283-F292 HydrophobicContact CG2-CD2 3.95Å; I283-L295 HydrophobicContact CG2-CD2 4.34Å
284A98.9Very high98.8Very high0 Ų016 Ų160%08%0.081CC..Hα-helixtrans-60-37.5-176.600000112.8C132 G280 M281 G288 F289 F292C132-A284 VanDerWaalsContact SG-CB 3.6Å; G280-A284 PolarHBondContact O-N 3.22Å; M281-A284 PolarHBondContact O-N 3.34Å; A284-G288 CarbonylContact O-C 3.54Å; A284-G288 VanDerWaalsContact O-C 3.24Å; A284-G288 WeakPolarHBondContact O-CA 3.42Å; A284-G288 PolarHBondContact O-N 3.45Å; A284-F289 HydrophobicContact CB-CD2 4.04Å; A284-F292 HydrophobicContact CB-CB 3.94Å; A284-F292 HydrophobicContact CB-CD1 4.16Å; A284-F292 HydrophobicContact CB-CD2 4.31Å; A284-F292 HydrophobicContact CB-CG 3.89Å
285L98.9Very high98.8Very high0 Ų015.8 Ų15.80%08%0.08CC..Hα-helixtrans-63.8-43.4172.6-76.3166000111.7F131 C132 V135 R136 V151 P178 L204 I206 M281 I283F131-L285 HydrophobicContact CD1-CD2 4.45Å; F131-L285 HydrophobicContact CE1-CD1 4.19Å; F131-L285 HydrophobicContact CE1-CD2 4.41Å; C132-L285 HydrophobicContact CB-CD2 4.33Å; V135-L285 HydrophobicContact CB-CD2 3.6Å; V135-L285 HydrophobicContact CG1-CD2 3.72Å; V135-L285 HydrophobicContact CG2-CD2 4.05Å; R136-L285 WeakPolarHBondContact CD-O 3.28Å; R136-L285 PolarHBondContact NH1-O 2.93Å; V151-L285 HydrophobicContact CG1-CD1 4.05Å; V151-L285 HydrophobicContact CG2-CD1 4.14Å; P178-L285 WeakPolarHBondContact CD-O 3.4Å; P178-L285 HydrophobicContact CG-CB 4.41Å; L204-L285 HydrophobicContact CD2-CD1 4.48Å; I206-L285 HydrophobicContact CD1-CD1 3.71Å; M281-L285 HydrophobicContact CG-CD1 3.82Å; M281-L285 HydrophobicContact CG-CG 4.38Å; M281-L285 WeakPolarHBondContact O-CB 3.3Å; M281-L285 WeakPolarHBondContact O-CG 3.41Å; M281-L285 PolarHBondContact O-N 2.98Å; M281-L285 HydrophobicContact SD-CD1 4.23Å; M281-L285 HydrophobicContact SD-CG 4.27Å; I283-L285 VanDerWaalsContact C-N 3.29Å; I283-L285 PolarHBondContact O-N 3.29Å
286H98.9Very high98.8Very high8 Ų815.7 Ų15.74%0.0378%0.079CC..Hα-helixtrans-70.3-51.6-176.5-163.847.5000112.7R136 T167 K171 S174 P178 V180 A282 I283R136-H286 PolarHBondContact NH1-O 3.38Å; T167-H286 HydrophobicContact CG2-CB 3.99Å; K171-H286 PolarHBondContact NZ-NE2 3.01Å; S174-H286 VanDerWaalsContact CA-O 3.32Å; S174-H286 WeakPolarHBondContact CA-O 3.47Å; S174-H286 WeakPolarHBondContact CB-CE1 3.41Å; S174-H286 VanDerWaalsContact CB-NE2 3.33Å; S174-H286 WeakPolarHBondContact CB-NE2 3.31Å; P178-H286 PolarHBondContact O-ND1 3.37Å; V180-H286 HydrophobicContact CG1-CB 3.74Å; V180-H286 HydrophobicContact CG2-CB 4.33Å; A282-H286 WeakPolarHBondContact O-CB 3.23Å; A282-H286 PolarHBondContact O-N 3.43Å; A282-H286 VanDerWaalsContact O-N 3.09Å; I283-H286 PolarHBondContact O-N 3.14Å
287I98.9Very high98.8Very high2 Ų217.4 Ų17.41%0.019%0.091CC..Hα-helixtrans-99.1-3.6-17370.3177.5000114.1L170 Y173 I283 N291L170-I287 HydrophobicContact CB-CD1 4.34Å; L170-I287 HydrophobicContact CB-CG2 4.05Å; L170-I287 HydrophobicContact CD1-CD1 3.54Å; Y173-I287 WeakPolarHBondContact O-CA 3.22Å; I283-I287 HydrophobicContact CG2-CD1 3.73Å; I283-I287 HydrophobicContact CG2-CG1 4.12Å; I283-I287 WeakPolarHBondContact O-CG1 3.49Å; I283-I287 PolarHBondContact O-N 3.32Å; I287-N291 HydrophobicContact CB-CB 4.16Å; I287-N291 HydrophobicContact CD1-CB 3.76Å; I287-N291 HydrophobicContact CG1-CB 3.77Å; I287-N291 WeakPolarHBondContact O-CB 3.45Å; I287-N291 PolarHBondContact O-ND2 2.91Å
288G98.8Very high98.8Very high9 Ų917.2 Ų17.29%0.0939%0.089CC..  trans83.6153.1-174.600000112.7A284 D290 N291 F292A284-G288 CarbonylContact O-C 3.54Å; A284-G288 VanDerWaalsContact O-C 3.24Å; A284-G288 WeakPolarHBondContact O-CA 3.42Å; A284-G288 PolarHBondContact O-N 3.45Å; G288-D290 PolarHBondContact O-N 2.79Å; G288-N291 PolarHBondContact O-N 2.59Å; G288-F292 PolarHBondContact O-N 2.85Å; G288-F292 VanDerWaalsContact O-N 3.15Å
289F98.8Very high98.9Very high15 Ų1517.1 Ų17.17%0.0669%0.089CC..Hα-helixtrans-66.7-36.5-172.5-157.9-96.8000112.8L125 M128 K129 A284 N291 F292 E293L125-F289 HydrophobicContact CB-CZ 4.15Å; L125-F289 HydrophobicContact CD2-CZ 4.24Å; L125-F289 WeakPolarHBondContact O-CE2 3.33Å; L125-F289 WeakPolarHBondContact O-CZ 3.38Å; M128-F289 HydrophobicContact CB-CE2 3.75Å; K129-F289 HydrophobicContact CB-CD1 3.7Å; K129-F289 HydrophobicContact CB-CD2 3.97Å; K129-F289 HydrophobicContact CB-CE1 3.73Å; K129-F289 HydrophobicContact CB-CE2 4.02Å; K129-F289 HydrophobicContact CB-CG 3.82Å; K129-F289 HydrophobicContact CB-CZ 3.89Å; K129-F289 HydrophobicContact CD-CD1 3.62Å; K129-F289 HydrophobicContact CD-CE1 3.87Å; K129-F289 HydrophobicContact CD-CG 4.36Å; K129-F289 HydrophobicContact CG-CB 4.16Å; K129-F289 HydrophobicContact CG-CD1 3.54Å; K129-F289 HydrophobicContact CG-CD2 4.41Å; K129-F289 HydrophobicContact CG-CE1 3.99Å; K129-F289 HydrophobicContact CG-CG 3.77Å; A284-F289 HydrophobicContact CB-CD2 4.04Å; F289-N291 VanDerWaalsContact C-N 3.28Å; F289-N291 PolarHBondContact O-N 3.23Å; F289-F292 HydrophobicContact CD2-CD1 4.36Å; F289-F292 AromaticContact CE2-CD1 3.97Å; F289-F292 HydrophobicContact CE2-CD1 3.97Å; F289-F292 HydrophobicContact CZ-CD1 4.36Å; F289-F292 CarbonylContact O-C 3.38Å; F289-F292 WeakPolarHBondContact O-CA 3.49Å; F289-F292 WeakPolarHBondContact O-CB 3.17Å; F289-F292 PolarHBondContact O-N 2.76Å; F289-E293 HydrophobicContact CD1-CG 3.66Å; F289-E293 HydrophobicContact CE1-CG 3.49Å; F289-E293 VanDerWaalsContact CE1-CG 3.49Å; F289-E293 HydrophobicContact CZ-CG 4.4Å; F289-E293 PolarHBondContact O-N 2.97Å
290D98.8Very high98.9Very high107 Ų10718 Ų1857%0.5729%0.093SC*.Hα-helixtrans-59.5-38.9177.4-60.6-9.2000112.3G288 E293 K294G288-D290 PolarHBondContact O-N 2.79Å; D290-E293 PolarHBondContact O-N 3.02Å; D290-K294 WeakPolarHBondContact O-CG 3.16Å; D290-K294 PolarHBondContact O-N 3.37Å
291N98.9Very high98.9Very high30 Ų3019.9 Ų19.916%0.1610%0.1CC..Hα-helixtrans-73.3-32.7175.7-72.4-39000111.5I287 G288 F289 K294 L295 P483I287-N291 HydrophobicContact CB-CB 4.16Å; I287-N291 HydrophobicContact CD1-CB 3.76Å; I287-N291 HydrophobicContact CG1-CB 3.77Å; I287-N291 WeakPolarHBondContact O-CB 3.45Å; I287-N291 PolarHBondContact O-ND2 2.91Å; G288-N291 PolarHBondContact O-N 2.59Å; F289-N291 VanDerWaalsContact C-N 3.28Å; F289-N291 PolarHBondContact O-N 3.23Å; N291-K294 PolarHBondContact O-N 3.43Å; N291-L295 PolarHBondContact O-N 3.29Å; N291-P483 HydrophobicContact CB-CB 4.37Å; N291-P483 HydrophobicContact CB-CG 3.9Å; N291-P483 VanDerWaalsContact O-CB 3.22Å; N291-P483 WeakPolarHBondContact O-CB 3.41Å
292F98.9Very high98.9Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-64-42.1170.3-173-111.3000111.4L125 M128 I283 A284 G288 F289 K294 L295 L296L125-F292 HydrophobicContact CD2-CE1 3.98Å; M128-F292 HydrophobicContact CE-CE1 3.86Å; M128-F292 HydrophobicContact CE-CZ 4.15Å; I283-F292 HydrophobicContact CB-CD2 4.17Å; I283-F292 HydrophobicContact CB-CE2 4.37Å; I283-F292 HydrophobicContact CD1-CE2 4.37Å; I283-F292 HydrophobicContact CG2-CD2 3.95Å; A284-F292 HydrophobicContact CB-CB 3.94Å; A284-F292 HydrophobicContact CB-CD1 4.16Å; A284-F292 HydrophobicContact CB-CD2 4.31Å; A284-F292 HydrophobicContact CB-CG 3.89Å; G288-F292 PolarHBondContact O-N 2.85Å; G288-F292 VanDerWaalsContact O-N 3.15Å; F289-F292 HydrophobicContact CD2-CD1 4.36Å; F289-F292 AromaticContact CE2-CD1 3.97Å; F289-F292 HydrophobicContact CE2-CD1 3.97Å; F289-F292 HydrophobicContact CZ-CD1 4.36Å; F289-F292 CarbonylContact O-C 3.38Å; F289-F292 WeakPolarHBondContact O-CA 3.49Å; F289-F292 WeakPolarHBondContact O-CB 3.17Å; F289-F292 PolarHBondContact O-N 2.76Å; F292-K294 VanDerWaalsContact C-N 3.32Å; F292-K294 PolarHBondContact O-N 2.96Å; F292-L295 HydrophobicContact CD2-CD2 4.05Å; F292-L295 HydrophobicContact CE2-CD2 4.23Å; F292-L295 VanDerWaalsContact O-CB 3.3Å; F292-L295 WeakPolarHBondContact O-CB 3.33Å; F292-L295 PolarHBondContact O-N 3.22Å; F292-L295 VanDerWaalsContact O-N 3.14Å; F292-L296 HydrophobicContact CD1-CD1 4.31Å; F292-L296 HydrophobicContact CD1-CG 4.47Å; F292-L296 HydrophobicContact CE1-CD1 4.02Å; F292-L296 HydrophobicContact CE1-CD2 4.28Å; F292-L296 HydrophobicContact CE1-CG 4.28Å; F292-L296 HydrophobicContact CZ-CD2 4.13Å; F292-L296 WeakPolarHBondContact O-CG 3.46Å; F292-L296 PolarHBondContact O-N 3.17Å
293E98.9Very high98.9Very high46 Ų4620 Ų2022%0.21510%0.101CC..Hα-helixtrans-64.5-35.3174.8-67-165.610300112.5R105 K129 F289 D290 L296 S297R105-E293 IonicContact CZ-OE1 2.85Å; R105-E293 IonicContact NH1-OE1 2.79Å; R105-E293 IonicContact NH2-OE1 2.7Å; R105-E293 PolarHBondContact NH2-OE1 3.22Å; K129-E293 IonicContact NZ-OE2 2.8Å; F289-E293 HydrophobicContact CD1-CG 3.66Å; F289-E293 HydrophobicContact CE1-CG 3.49Å; F289-E293 VanDerWaalsContact CE1-CG 3.49Å; F289-E293 HydrophobicContact CZ-CG 4.4Å; F289-E293 PolarHBondContact O-N 2.97Å; D290-E293 PolarHBondContact O-N 3.02Å; E293-L296 PolarHBondContact O-N 3Å; E293-S297 WeakPolarHBondContact O-CB 3.38Å; E293-S297 PolarHBondContact O-N 3.36Å; E293-S297 PolarHBondContact O-OG 3.47Å
294K98.9Very high98.9Very high107 Ų10724.8 Ų24.847%0.46512%0.122SC..Hα-helixtrans-63.1-42171.2-73.6172.6-173.7173.20111.8D290 N291 F292 S297 G298 P483 Y484D290-K294 WeakPolarHBondContact O-CG 3.16Å; D290-K294 PolarHBondContact O-N 3.37Å; N291-K294 PolarHBondContact O-N 3.43Å; F292-K294 VanDerWaalsContact C-N 3.32Å; F292-K294 PolarHBondContact O-N 2.96Å; K294-S297 PolarHBondContact O-N 3.33Å; K294-S297 VanDerWaalsContact O-N 3.15Å; K294-G298 PolarHBondContact O-N 2.97Å; K294-P483 HydrophobicContact CB-CB 4.07Å; K294-Y484 VanDerWaalsContact O-CA 3.32Å; K294-Y484 WeakPolarHBondContact O-CA 3.22Å
295L98.9Very high98.9Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-58-47.8173.4174.973.8000111.5V166 L275 W276 I283 N291 F292 S297 G298 A299 P483 L486 G487V166-L295 HydrophobicContact CG1-CD2 3.82Å; L275-L295 HydrophobicContact CD1-CD2 4.33Å; W276-L295 HydrophobicContact CE3-CG 4.49Å; W276-L295 HydrophobicContact CZ3-CD1 4.13Å; W276-L295 HydrophobicContact CZ3-CG 3.91Å; I283-L295 HydrophobicContact CG2-CD2 4.34Å; N291-L295 PolarHBondContact O-N 3.29Å; F292-L295 HydrophobicContact CD2-CD2 4.05Å; F292-L295 HydrophobicContact CE2-CD2 4.23Å; F292-L295 VanDerWaalsContact O-CB 3.3Å; F292-L295 WeakPolarHBondContact O-CB 3.33Å; F292-L295 PolarHBondContact O-N 3.22Å; F292-L295 VanDerWaalsContact O-N 3.14Å; L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 2.98Å; L295-G298 PolarHBondContact O-N 3.34Å; L295-A299 PolarHBondContact O-N 2.66Å; L295-P483 VanDerWaalsContact CA-O 3.29Å; L295-P483 WeakPolarHBondContact CA-O 3.32Å; L295-P483 HydrophobicContact CB-CB 4.25Å; L295-P483 VanDerWaalsContact CD1-O 3.3Å; L295-P483 WeakPolarHBondContact CD1-O 3.47Å; L295-L486 HydrophobicContact CD1-CB 4.35Å; L295-L486 HydrophobicContact CD1-CD2 4.42Å; L295-L486 HydrophobicContact CD1-CG 4.29Å; L295-G487 WeakPolarHBondContact O-CA 3.28Å
296L98.9Very high98.9Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-60-41.3173.8-59.2-175.6000111.5R103 L125 W276 F292 E293 A299 H300R103-L296 HydrophobicContact CB-CB 4Å; R103-L296 HydrophobicContact CB-CD2 4.13Å; L125-L296 HydrophobicContact CD1-CD1 4.13Å; L125-L296 HydrophobicContact CD2-CD1 3.94Å; W276-L296 HydrophobicContact CB-CD2 3.99Å; W276-L296 HydrophobicContact CE3-CD2 3.93Å; F292-L296 HydrophobicContact CD1-CD1 4.31Å; F292-L296 HydrophobicContact CD1-CG 4.47Å; F292-L296 HydrophobicContact CE1-CD1 4.02Å; F292-L296 HydrophobicContact CE1-CD2 4.28Å; F292-L296 HydrophobicContact CE1-CG 4.28Å; F292-L296 HydrophobicContact CZ-CD2 4.13Å; F292-L296 WeakPolarHBondContact O-CG 3.46Å; F292-L296 PolarHBondContact O-N 3.17Å; E293-L296 PolarHBondContact O-N 3Å; L296-A299 PolarHBondContact O-N 2.74Å; L296-H300 WeakPolarHBondContact O-CB 3.49Å; L296-H300 PolarHBondContact O-N 3.1Å
297S98.9Very high98.9Very high36 Ų3629.8 Ų29.825%0.25214%0.141SC..Hα-helixtrans-67.8-38.5-176.9-57.70000113E293 K294 L295 H300 W301E293-S297 WeakPolarHBondContact O-CB 3.38Å; E293-S297 PolarHBondContact O-N 3.36Å; E293-S297 PolarHBondContact O-OG 3.47Å; K294-S297 PolarHBondContact O-N 3.33Å; K294-S297 VanDerWaalsContact O-N 3.15Å; L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 2.98Å; S297-H300 WeakPolarHBondContact O-CB 3.08Å; S297-H300 PolarHBondContact O-N 2.87Å; S297-W301 PolarHBondContact O-N 3.25Å
298G98.9Very high98.9Very high0 Ų034.4 Ų34.40%017%0.174CC..Hα-helixtrans-65.9-39.9174.500000112.6K294 L295 W301 M302 Y484 A488K294-G298 PolarHBondContact O-N 2.97Å; L295-G298 PolarHBondContact O-N 3.34Å; G298-W301 WeakPolarHBondContact O-CB 3.47Å; G298-W301 PolarHBondContact O-N 3.5Å; G298-M302 PolarHBondContact O-N 3.17Å; G298-M302 VanDerWaalsContact O-N 3.15Å; G298-Y484 WeakPolarHBondContact CA-O 3.39Å; G298-A488 VanDerWaalsContact O-CA 3.31Å; G298-A488 WeakPolarHBondContact O-CA 3.32Å; G298-A488 WeakPolarHBondContact O-CB 3.42Å
299A98.9Very high98.9Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-64.8-40.9173.800000111.9R103 W276 L295 L296 W301 M302 D303 G487 A491R103-A299 VanDerWaalsContact CD-CB 3.46Å; R103-A299 HydrophobicContact CG-CB 4.22Å; W276-A299 HydrophobicContact CE3-CB 4.11Å; W276-A299 HydrophobicContact CH2-CB 3.62Å; W276-A299 HydrophobicContact CZ2-CB 4.34Å; W276-A299 HydrophobicContact CZ3-CB 3.49Å; W276-A299 VanDerWaalsContact CZ3-CB 3.49Å; L295-A299 PolarHBondContact O-N 2.66Å; L296-A299 PolarHBondContact O-N 2.74Å; A299-W301 VanDerWaalsContact C-N 3.31Å; A299-W301 PolarHBondContact O-N 3.06Å; A299-M302 PolarHBondContact O-N 3.05Å; A299-D303 VanDerWaalsContact O-CG 3.23Å; A299-D303 PolarHBondContact O-N 2.87Å; A299-G487 WeakPolarHBondContact CA-O 3.11Å; A299-G487 WeakPolarHBondContact CB-O 3.31Å; A299-A491 HydrophobicContact CB-CB 3.95Å
300H98.9Very high98.8Very high18 Ų1837.7 Ų37.78%0.08320%0.196CC..Hα-helixtrans-61.6-36.7172.7-170.349.6000113.5R103 N104 R105 S106 L296 S297 M302 D303 K304R103-H300 WeakPolarHBondContact O-CB 3.48Å; R103-H300 PolarHBondContact O-ND1 3.15Å; N104-H300 PolarHBondContact OD1-CE1 3.31Å; R105-H300 HydrophobicContact CG-CB 3.85Å; S106-H300 PolarHBondContact N-NE2 2.94Å; L296-H300 WeakPolarHBondContact O-CB 3.49Å; L296-H300 PolarHBondContact O-N 3.1Å; S297-H300 WeakPolarHBondContact O-CB 3.08Å; S297-H300 PolarHBondContact O-N 2.87Å; H300-M302 VanDerWaalsContact C-N 3.32Å; H300-D303 WeakPolarHBondContact O-CB 3.43Å; H300-D303 PolarHBondContact O-N 2.62Å; H300-K304 WeakPolarHBondContact O-CG 3.39Å; H300-K304 PolarHBondContact O-N 3.15Å
301W98.9Very high98.8Very high39 Ų3932.8 Ų32.815%0.14817%0.17CC..Hα-helixtrans-61.4-45.3174.7-177.999.2000110.7L43 N44 T45 S297 G298 A299 D303 K304 H305 Y484L43-W301 HydrophobicContact CB-CH2 3.66Å; L43-W301 HydrophobicContact CB-CZ3 4.23Å; L43-W301 HydrophobicContact CD1-CH2 4.22Å; L43-W301 HydrophobicContact CD1-CZ3 4.12Å; L43-W301 HydrophobicContact CD2-CH2 4.2Å; L43-W301 HydrophobicContact CG-CH2 4.24Å; N44-W301 WeakPolarHBondContact O-CZ2 3.31Å; T45-W301 HydrophobicContact CG2-CD2 3.87Å; T45-W301 HydrophobicContact CG2-CE3 3.87Å; T45-W301 HydrophobicContact CG2-CH2 3.91Å; T45-W301 HydrophobicContact CG2-CZ2 3.79Å; T45-W301 HydrophobicContact CG2-CZ3 3.91Å; S297-W301 PolarHBondContact O-N 3.25Å; G298-W301 WeakPolarHBondContact O-CB 3.47Å; G298-W301 PolarHBondContact O-N 3.5Å; A299-W301 VanDerWaalsContact C-N 3.31Å; A299-W301 PolarHBondContact O-N 3.06Å; W301-D303 VanDerWaalsContact C-N 3.33Å; W301-D303 PolarHBondContact O-N 3.03Å; W301-K304 PolarHBondContact O-N 2.9Å; W301-H305 HydrophobicContact CE3-CB 4.48Å; W301-H305 HydrophobicContact CH2-CB 4.13Å; W301-H305 HydrophobicContact CZ3-CB 3.97Å; W301-H305 PolarHBondContact O-N 3.32Å; W301-Y484 HydrophobicContact CB-CE1 4.48Å; W301-Y484 WeakPolarHBondContact CB-OH 3.17Å
302M98.9Very high98.8Very high0 Ų035.2 Ų35.20%018%0.183CC..Hα-helixtrans-67.7-33.9176.8-17359.163.100112.2L43 G298 A299 H300 H305 F306 P316 A488 A491 M492L43-M302 HydrophobicContact CD1-CE 3.85Å; G298-M302 PolarHBondContact O-N 3.17Å; G298-M302 VanDerWaalsContact O-N 3.15Å; A299-M302 PolarHBondContact O-N 3.05Å; H300-M302 VanDerWaalsContact C-N 3.32Å; M302-H305 PolarHBondContact O-N 3.21Å; M302-H305 HydrophobicContact SD-CB 4.39Å; M302-F306 WeakPolarHBondContact O-CB 3.42Å; M302-F306 PolarHBondContact O-N 3.31Å; M302-P316 HydrophobicContact SD-CG 4.02Å; M302-A488 HydrophobicContact CB-CB 4.41Å; M302-A488 HydrophobicContact CE-CB 4.31Å; M302-A488 WeakPolarHBondContact CG-O 3.36Å; M302-A491 HydrophobicContact CB-CB 3.8Å; M302-A491 HydrophobicContact CG-CB 3.94Å; M302-M492 HydrophobicContact CE-CB 3.9Å; M302-M492 HydrophobicContact CE-CG 4.21Å; M302-M492 HydrophobicContact CE-SD 4.2Å; M302-M492 HydrophobicContact CG-CB 4.01Å; M302-M492 HydrophobicContact SD-CB 3.95Å; M302-M492 HydrophobicContact SD-CG 4.15Å
303D98.9Very high98.8Very high3 Ų339.9 Ų39.92%0.01620%0.203CC..Hα-helixtrans-59.3-46.5171.5-68.4-20.9000111.4F84 R103 A299 H300 W301 F306 R307 H495F84-D303 HydrophobicContact CE1-CB 3.95Å; F84-D303 HydrophobicContact CZ-CB 4.06Å; R103-D303 VanDerWaalsContact CG-OD2 3.31Å; R103-D303 WeakPolarHBondContact CG-OD2 3.23Å; R103-D303 IonicContact CZ-OD1 3.2Å; R103-D303 IonicContact CZ-OD2 3Å; R103-D303 IonicContact NE-OD1 3.95Å; R103-D303 PolarHBondContact NE-OD1 2.79Å; R103-D303 IonicContact NE-OD2 2.64Å; R103-D303 PolarHBondContact NE-OD2 3.41Å; R103-D303 IonicContact NH2-OD1 3.74Å; R103-D303 PolarHBondContact NH2-OD1 3.46Å; R103-D303 IonicContact NH2-OD2 3.32Å; A299-D303 VanDerWaalsContact O-CG 3.23Å; A299-D303 PolarHBondContact O-N 2.87Å; H300-D303 WeakPolarHBondContact O-CB 3.43Å; H300-D303 PolarHBondContact O-N 2.62Å; W301-D303 VanDerWaalsContact C-N 3.33Å; W301-D303 PolarHBondContact O-N 3.03Å; D303-F306 PolarHBondContact O-N 2.92Å; D303-R307 VanDerWaalsContact O-CB 3.28Å; D303-R307 WeakPolarHBondContact O-CB 3.25Å; D303-R307 PolarHBondContact O-N 3.39Å; D303-H495 IonicContact OD1-CD2 2.71Å; D303-H495 IonicContact OD1-CE1 2.64Å; D303-H495 PolarHBondContact OD1-CE1 3.32Å; D303-H495 IonicContact OD1-NE2 3.25Å; D303-H495 PolarHBondContact OD1-NE2 2.94Å
304K98.9Very high98.8Very high100 Ų10037.7 Ų37.744%0.43519%0.193SC..Hα-helixtrans-62.1-47.3176.3-71.2-175.1-62.7-179.90111H300 W301 F306 R307 S308H300-K304 WeakPolarHBondContact O-CG 3.39Å; H300-K304 PolarHBondContact O-N 3.15Å; W301-K304 PolarHBondContact O-N 2.9Å; K304-F306 PolarHBondContact O-N 3.04Å; K304-R307 PolarHBondContact O-N 2.92Å; K304-S308 PolarHBondContact O-N 2.89Å; K304-S308 PolarHBondContact O-OG 2.97Å
305H98.9Very high98.8Very high25 Ų2532.6 Ų32.612%0.11617%0.171CC..Hα-helixtrans-55.3-51175.5177.562.7000111.5L43 W301 M302 R307 S308 A309 K313 A315L43-H305 WeakPolarHBondContact CD2-CE1 3.42Å; L43-H305 WeakPolarHBondContact CD2-NE2 3.48Å; W301-H305 HydrophobicContact CE3-CB 4.48Å; W301-H305 HydrophobicContact CH2-CB 4.13Å; W301-H305 HydrophobicContact CZ3-CB 3.97Å; W301-H305 PolarHBondContact O-N 3.32Å; M302-H305 PolarHBondContact O-N 3.21Å; M302-H305 HydrophobicContact SD-CB 4.39Å; H305-R307 VanDerWaalsContact C-N 3.3Å; H305-R307 PolarHBondContact O-N 3.02Å; H305-S308 PolarHBondContact O-N 2.99Å; H305-A309 WeakPolarHBondContact O-CB 3.44Å; H305-A309 PolarHBondContact O-N 3Å; H305-K313 PolarHBondContact CE1-O 2.96Å; H305-A315 PolarHBondContact NE2-N 3.02Å; H305-A315 VanDerWaalsContact NE2-N 3.17Å
306F98.9Very high98.8Very high0 Ų032.6 Ų32.60%017%0.171CC..Hα-helixtrans-60.1-40.4178.8175.6-125.7000112.4R80 M83 F84 M302 D303 K304 N314 P316 V317 H495 F498 V499R80-F306 HydrophobicContact CB-CE1 4.25Å; R80-F306 HydrophobicContact CB-CZ 4.11Å; R80-F306 VanDerWaalsContact CD-O 3.29Å; R80-F306 WeakPolarHBondContact CD-O 3.23Å; R80-F306 HydrophobicContact CG-CD1 4.13Å; R80-F306 HydrophobicContact CG-CE1 3.52Å; R80-F306 HydrophobicContact CG-CZ 3.76Å; R80-F306 PolarHBondContact NH1-O 3.2Å; M83-F306 HydrophobicContact CE-CE1 4.05Å; F84-F306 AromaticContact CE2-CD1 3.69Å; F84-F306 HydrophobicContact CE2-CD1 3.69Å; F84-F306 AromaticContact CE2-CE1 3.93Å; F84-F306 HydrophobicContact CE2-CE1 3.93Å; F84-F306 HydrophobicContact CZ-CD1 4.08Å; M302-F306 WeakPolarHBondContact O-CB 3.42Å; M302-F306 PolarHBondContact O-N 3.31Å; D303-F306 PolarHBondContact O-N 2.92Å; K304-F306 PolarHBondContact O-N 3.04Å; F306-N314 PolarHBondContact O-ND2 2.73Å; F306-P316 HydrophobicContact CB-CG 4.3Å; F306-P316 HydrophobicContact CD2-CB 4.07Å; F306-P316 HydrophobicContact CD2-CG 4.25Å; F306-V317 HydrophobicContact CD2-CG2 4.3Å; F306-V317 HydrophobicContact CE2-CG2 3.94Å; F306-H495 HydrophobicContact CB-CB 4.39Å; F306-H495 HydrophobicContact CD1-CB 3.82Å; F306-H495 AromaticContact CD1-CD2 3.65Å; F306-H495 AromaticContact CD1-CE1 3.67Å; F306-H495 AromaticContact CD1-CG 3.29Å; F306-H495 AromaticContact CD1-ND1 3.29Å; F306-H495 VanDerWaalsContact CD1-ND1 3.29Å; F306-H495 WeakPolarHBondContact CD1-ND1 3.33Å; F306-H495 AromaticContact CD1-NE2 3.86Å; F306-H495 HydrophobicContact CD2-CB 3.98Å; F306-H495 HydrophobicContact CE1-CB 4.06Å; F306-H495 AromaticContact CE1-CG 3.79Å; F306-H495 AromaticContact CE1-ND1 3.51Å; F306-H495 HydrophobicContact CE2-CB 4.24Å; F306-H495 HydrophobicContact CG-CB 3.78Å; F306-H495 AromaticContact CG-CD2 3.77Å; F306-H495 AromaticContact CG-CG 3.59Å; F306-H495 HydrophobicContact CZ-CB 4.29Å; F306-F498 AromaticContact CE1-CD1 3.99Å; F306-F498 HydrophobicContact CE1-CD1 3.99Å; F306-F498 HydrophobicContact CE1-CE1 4.23Å; F306-F498 AromaticContact CZ-CD1 3.63Å; F306-F498 HydrophobicContact CZ-CD1 3.63Å; F306-F498 AromaticContact CZ-CE1 3.87Å; F306-F498 HydrophobicContact CZ-CE1 3.87Å; F306-V499 HydrophobicContact CE2-CG2 3.66Å; F306-V499 HydrophobicContact CZ-CG2 3.93Å
307R98.7Very high98.8Very high89 Ų8932.6 Ų32.634%0.33617%0.171SC..Hα-helixtrans-71.9-38.9-178.9-161.6177.4-175.5177.92113.7R80 E81 F84 D303 K304 H305R80-R307 PolarHBondContact NE-O 3.31Å; R80-R307 PolarHBondContact NH1-O 3.07Å; R80-R307 PolarHBondContact NH2-O 3.45Å; E81-R307 WeakPolarHBondContact OE1-CG 3.49Å; E81-R307 IonicContact OE1-NE 2.77Å; E81-R307 IonicContact OE2-CZ 2.73Å; E81-R307 VanDerWaalsContact OE2-CZ 3.29Å; E81-R307 IonicContact OE2-NE 3.22Å; E81-R307 PolarHBondContact OE2-NE 3.41Å; E81-R307 IonicContact OE2-NH2 3.95Å; E81-R307 PolarHBondContact OE2-NH2 3.24Å; F84-R307 HydrophobicContact CD2-CG 4.27Å; F84-R307 HydrophobicContact CE1-CB 4.45Å; F84-R307 HydrophobicContact CE2-CB 4.26Å; F84-R307 HydrophobicContact CE2-CG 4.4Å; F84-R307 HydrophobicContact CG-CG 4.36Å; F84-R307 HydrophobicContact CZ-CB 4.16Å; D303-R307 VanDerWaalsContact O-CB 3.28Å; D303-R307 WeakPolarHBondContact O-CB 3.25Å; D303-R307 PolarHBondContact O-N 3.39Å; K304-R307 PolarHBondContact O-N 2.92Å; H305-R307 VanDerWaalsContact C-N 3.3Å; H305-R307 PolarHBondContact O-N 3.02Å
308S98.1Very high98.8Very high99 Ų9931 Ų3169%0.69216%0.159SC*.Hα-helixtrans-105.3-24.7-170.966.30000115.5K304 H305K304-S308 PolarHBondContact O-N 2.89Å; K304-S308 PolarHBondContact O-OG 2.97Å; H305-S308 PolarHBondContact O-N 2.99Å
309A98.6Very high98.8Very high14 Ų1431 Ų3112%0.11616%0.159CC..SBendtrans-72.3139.2-175.200000111.8H305 N314H305-A309 WeakPolarHBondContact O-CB 3.44Å; H305-A309 PolarHBondContact O-N 3Å; A309-N314 HydrophobicContact CB-CB 4.05Å; A309-N314 PolarHBondContact O-ND2 3.4Å; A309-N314 VanDerWaalsContact O-ND2 3.16Å
310P98.6Very high98.8Very high78 Ų7831 Ų3151%0.50616%0.159SC..  trans-53.6142.1169.9-25.334.7000111.6D312 K313 N314P310-D312 WeakPolarHBondContact CB-OD1 3.34Å; P310-D312 PolarHBondContact O-N 3.3Å; P310-D312 VanDerWaalsContact O-N 3.11Å; P310-K313 CarbonylContact O-C 3.56Å; P310-K313 VanDerWaalsContact O-C 3.31Å; P310-K313 WeakPolarHBondContact O-CA 3.28Å; P310-K313 PolarHBondContact O-N 2.89Å; P310-N314 VanDerWaalsContact O-CB 3.25Å; P310-N314 WeakPolarHBondContact O-CB 3.33Å; P310-N314 PolarHBondContact O-N 3.4Å
311L98.8Very high98.8Very high5 Ų530.2 Ų30.23%0.02616%0.156CC..G310 helixtrans-55.2-34.3-172.2-62.9-178.3000114V68 A71 K72 I76 E77 K313 V317V68-L311 HydrophobicContact CG1-CB 4.17Å; A71-L311 HydrophobicContact CB-CD1 4.12Å; K72-L311 HydrophobicContact CG-CD1 3.76Å; I76-L311 HydrophobicContact CG2-CD2 4.18Å; E77-L311 HydrophobicContact CG-CD1 4.13Å; E77-L311 HydrophobicContact CG-CD2 3.95Å; E77-L311 HydrophobicContact CG-CG 4.18Å; L311-K313 VanDerWaalsContact C-N 3.26Å; L311-K313 PolarHBondContact O-N 3.26Å; L311-V317 HydrophobicContact CB-CG1 4.17Å; L311-V317 HydrophobicContact CD2-CG1 4.17Å; L311-V317 HydrophobicContact CD2-CG2 3.89Å
312D98.2Very high98.8Very high81 Ų8128.4 Ų28.443%0.43315%0.149SC..G310 helixtrans-78.5-5.8178.266-31.5000114.1V68 P310V68-D312 HydrophobicContact CG1-CB 4.47Å; V68-D312 HydrophobicContact CG2-CB 4.05Å; P310-D312 WeakPolarHBondContact CB-OD1 3.34Å; P310-D312 PolarHBondContact O-N 3.3Å; P310-D312 VanDerWaalsContact O-N 3.11Å
313K98.6Very high98.8Very high98 Ų9828.8 Ų28.843%0.42615%0.152SC..G310 helixtrans-127.820.2174.5-59.8-63.5174.5-169.70112.2L41 H305 P310 L311L41-K313 WeakPolarHBondContact CD2-O 3.48Å; H305-K313 PolarHBondContact CE1-O 2.96Å; P310-K313 CarbonylContact O-C 3.56Å; P310-K313 VanDerWaalsContact O-C 3.31Å; P310-K313 WeakPolarHBondContact O-CA 3.28Å; P310-K313 PolarHBondContact O-N 2.89Å; L311-K313 VanDerWaalsContact C-N 3.26Å; L311-K313 PolarHBondContact O-N 3.26Å
314N98.9Very high98.8Very high0 Ų028.6 Ų28.60%015%0.152CC..  trans-108.7112.2-175.9-171.8-43.7000110F306 A309 P310 P316 V317 L318F306-N314 PolarHBondContact O-ND2 2.73Å; A309-N314 HydrophobicContact CB-CB 4.05Å; A309-N314 PolarHBondContact O-ND2 3.4Å; A309-N314 VanDerWaalsContact O-ND2 3.16Å; P310-N314 VanDerWaalsContact O-CB 3.25Å; P310-N314 WeakPolarHBondContact O-CB 3.33Å; P310-N314 PolarHBondContact O-N 3.4Å; N314-P316 WeakPolarHBondContact OD1-CD 3.39Å; N314-V317 HydrophobicContact CB-CB 3.97Å; N314-V317 HydrophobicContact CB-CG2 3.91Å; N314-V317 WeakPolarHBondContact O-CB 3.44Å; N314-V317 PolarHBondContact O-N 3.47Å; N314-V317 VanDerWaalsContact O-N 3.14Å; N314-L318 VanDerWaalsContact O-CG 3.32Å; N314-L318 WeakPolarHBondContact O-CG 3.32Å; N314-L318 PolarHBondContact O-N 2.88Å
315A98.9Very high98.8Very high0 Ų023.9 Ų23.90%013%0.131CC..Hα-helixtrans-59.4-51.9-168.800000113.4L41 L43 L52 H305 V317 L318 L319 M492L41-A315 HydrophobicContact CD2-CB 3.97Å; L43-A315 HydrophobicContact CD1-CB 3.85Å; L43-A315 HydrophobicContact CD2-CB 4.48Å; L52-A315 HydrophobicContact CD2-CB 3.91Å; H305-A315 PolarHBondContact NE2-N 3.02Å; H305-A315 VanDerWaalsContact NE2-N 3.17Å; A315-V317 VanDerWaalsContact C-N 3.29Å; A315-V317 PolarHBondContact O-N 3.01Å; A315-L318 PolarHBondContact O-N 2.98Å; A315-L319 WeakPolarHBondContact O-CG 3.42Å; A315-L319 PolarHBondContact O-N 3.03Å; A315-M492 HydrophobicContact CB-SD 4.14Å
316P98.9Very high98.8Very high0 Ų022.8 Ų22.80%013%0.126CC..Hα-helixtrans-55.1-40.9173-2731.4000114.2M302 F306 N314 A320 M492 H495M302-P316 HydrophobicContact SD-CG 4.02Å; F306-P316 HydrophobicContact CB-CG 4.3Å; F306-P316 HydrophobicContact CD2-CB 4.07Å; F306-P316 HydrophobicContact CD2-CG 4.25Å; N314-P316 WeakPolarHBondContact OD1-CD 3.39Å; P316-A320 WeakPolarHBondContact O-CB 3.39Å; P316-A320 PolarHBondContact O-N 3.46Å; P316-M492 HydrophobicContact CG-CG 4.04Å; P316-H495 HydrophobicContact CB-CB 3.51Å; P316-H495 HydrophobicContact CG-CB 3.81Å
317V98.9Very high98.8Very high0 Ų023.3 Ų23.30%013%0.128CC..Hα-helixtrans-66.1-48.4179.3175.80000110.2F306 L311 N314 A315 L319 A320 L321 V499F306-V317 HydrophobicContact CD2-CG2 4.3Å; F306-V317 HydrophobicContact CE2-CG2 3.94Å; L311-V317 HydrophobicContact CB-CG1 4.17Å; L311-V317 HydrophobicContact CD2-CG1 4.17Å; L311-V317 HydrophobicContact CD2-CG2 3.89Å; N314-V317 HydrophobicContact CB-CB 3.97Å; N314-V317 HydrophobicContact CB-CG2 3.91Å; N314-V317 WeakPolarHBondContact O-CB 3.44Å; N314-V317 PolarHBondContact O-N 3.47Å; N314-V317 VanDerWaalsContact O-N 3.14Å; A315-V317 VanDerWaalsContact C-N 3.29Å; A315-V317 PolarHBondContact O-N 3.01Å; V317-L319 VanDerWaalsContact C-N 3.34Å; V317-L319 PolarHBondContact O-N 3.16Å; V317-A320 WeakPolarHBondContact O-CB 3.45Å; V317-A320 PolarHBondContact O-N 3.3Å; V317-A320 VanDerWaalsContact O-N 3.09Å; V317-L321 HydrophobicContact CG1-CD1 3.83Å; V317-L321 HydrophobicContact CG1-CG 4.11Å; V317-L321 VanDerWaalsContact O-CG 3.24Å; V317-L321 WeakPolarHBondContact O-CG 3.43Å; V317-L321 PolarHBondContact O-N 3.02Å; V317-V499 HydrophobicContact CG2-CG2 4.01Å
318L98.9Very high98.8Very high1 Ų119.4 Ų19.41%0.00511%0.114CC..Hα-helixtrans-58.9-44.3178.5-66.9171.5000111.7L41 Y54 M64 N314 A315 A320 L321 L322L41-L318 HydrophobicContact CD2-CD1 4.4Å; Y54-L318 HydrophobicContact CE1-CD1 3.91Å; M64-L318 HydrophobicContact CE-CD2 3.42Å; M64-L318 VanDerWaalsContact CE-CD2 3.42Å; N314-L318 VanDerWaalsContact O-CG 3.32Å; N314-L318 WeakPolarHBondContact O-CG 3.32Å; N314-L318 PolarHBondContact O-N 2.88Å; A315-L318 PolarHBondContact O-N 2.98Å; L318-A320 VanDerWaalsContact C-N 3.32Å; L318-A320 PolarHBondContact O-N 2.98Å; L318-L321 PolarHBondContact O-N 3.37Å; L318-L322 VanDerWaalsContact O-CG 3.29Å; L318-L322 WeakPolarHBondContact O-CG 3.41Å; L318-L322 PolarHBondContact O-N 3.24Å
319L99Very high98.8Very high2 Ų214.7 Ų14.71%0.018%0.082CC..Hα-helixtrans-61.1-40174.5-74.1172.6000112.4L52 A315 V317 G323 M492 K496L52-L319 HydrophobicContact CD1-CD2 3.72Å; L52-L319 HydrophobicContact CD1-CG 4.23Å; L52-L319 HydrophobicContact CD2-CD1 4.48Å; L52-L319 HydrophobicContact CD2-CD2 4.35Å; L52-L319 HydrophobicContact CD2-CG 4.01Å; A315-L319 WeakPolarHBondContact O-CG 3.42Å; A315-L319 PolarHBondContact O-N 3.03Å; V317-L319 VanDerWaalsContact C-N 3.34Å; V317-L319 PolarHBondContact O-N 3.16Å; L319-G323 PolarHBondContact O-N 3.27Å; L319-G323 VanDerWaalsContact O-N 3.14Å; L319-M492 HydrophobicContact CD1-CE 4.02Å; L319-M492 HydrophobicContact CD1-CG 3.96Å; L319-M492 HydrophobicContact CD1-SD 3.92Å; L319-K496 HydrophobicContact CB-CB 4.43Å; L319-K496 HydrophobicContact CB-CD 4.09Å; L319-K496 HydrophobicContact CB-CG 3.95Å
320A98.9Very high98.8Very high0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-66.3-45.3177.900000111.5P316 V317 L318 L322 G323 I324 K496 V499 Q500P316-A320 WeakPolarHBondContact O-CB 3.39Å; P316-A320 PolarHBondContact O-N 3.46Å; V317-A320 WeakPolarHBondContact O-CB 3.45Å; V317-A320 PolarHBondContact O-N 3.3Å; V317-A320 VanDerWaalsContact O-N 3.09Å; L318-A320 VanDerWaalsContact C-N 3.32Å; L318-A320 PolarHBondContact O-N 2.98Å; A320-L322 PolarHBondContact O-N 3.42Å; A320-G323 CarbonylContact O-C 3.58Å; A320-G323 WeakPolarHBondContact O-CA 3.17Å; A320-G323 PolarHBondContact O-N 3.33Å; A320-I324 WeakPolarHBondContact O-CG1 3.3Å; A320-I324 PolarHBondContact O-N 3.47Å; A320-K496 HydrophobicContact CB-CG 4.07Å; A320-K496 WeakPolarHBondContact CB-O 3.45Å; A320-V499 HydrophobicContact CB-CB 3.6Å; A320-V499 HydrophobicContact CB-CG1 3.46Å; A320-V499 VanDerWaalsContact CB-CG1 3.46Å; A320-Q500 HydrophobicContact CB-CG 3.7Å; A320-Q500 PolarHBondContact O-NE2 2.94Å
321L98.9Very high98.8Very high0 Ų016.9 Ų16.90%08%0.082CC..Hα-helixtrans-63.2-40.2179.6-67.8179.7000112.6L67 V68 A71 V317 L318 G323 I324 W325 M503L67-L321 HydrophobicContact CB-CB 4.15Å; L67-L321 HydrophobicContact CB-CD1 4.11Å; L67-L321 HydrophobicContact CB-CD2 4.32Å; L67-L321 HydrophobicContact CB-CG 4.41Å; L67-L321 HydrophobicContact CD1-CB 4.41Å; L67-L321 HydrophobicContact CD2-CB 4.48Å; L67-L321 WeakPolarHBondContact O-CD2 3.5Å; V68-L321 HydrophobicContact CG2-CD1 3.89Å; A71-L321 HydrophobicContact CB-CD1 4.43Å; A71-L321 HydrophobicContact CB-CD2 3.94Å; V317-L321 HydrophobicContact CG1-CD1 3.83Å; V317-L321 HydrophobicContact CG1-CG 4.11Å; V317-L321 VanDerWaalsContact O-CG 3.24Å; V317-L321 WeakPolarHBondContact O-CG 3.43Å; V317-L321 PolarHBondContact O-N 3.02Å; L318-L321 PolarHBondContact O-N 3.37Å; L321-G323 VanDerWaalsContact C-N 3.3Å; L321-G323 PolarHBondContact O-N 3.05Å; L321-I324 PolarHBondContact O-N 3.19Å; L321-W325 WeakPolarHBondContact O-CB 3.24Å; L321-W325 PolarHBondContact O-N 2.96Å; L321-M503 HydrophobicContact CD2-CE 3.67Å; L321-M503 HydrophobicContact CD2-SD 3.62Å
322L98.9Very high98.8Very high2 Ų216.9 Ų16.91%0.018%0.083CC..Hα-helixtrans-61.7-41.3171.3-69.1166.3000111.1Y54 N57 I59 M64 L318 A320 W325 Y326Y54-L322 HydrophobicContact CD2-CD1 4.23Å; Y54-L322 HydrophobicContact CG-CD1 4.23Å; N57-L322 HydrophobicContact CB-CD2 3.89Å; I59-L322 HydrophobicContact CD1-CD2 4.23Å; I59-L322 HydrophobicContact CG2-CD2 3.88Å; M64-L322 HydrophobicContact SD-CD2 4.43Å; L318-L322 VanDerWaalsContact O-CG 3.29Å; L318-L322 WeakPolarHBondContact O-CG 3.41Å; L318-L322 PolarHBondContact O-N 3.24Å; A320-L322 PolarHBondContact O-N 3.42Å; L322-W325 WeakPolarHBondContact O-CB 3.5Å; L322-W325 PolarHBondContact O-N 3.41Å; L322-Y326 HydrophobicContact CB-CE2 4.44Å; L322-Y326 WeakPolarHBondContact O-CD2 3.4Å; L322-Y326 PolarHBondContact O-N 2.61Å
323G98.9Very high98.8Very high7 Ų719.7 Ų19.77%0.0729%0.093CC..Hα-helixtrans-61.2-45.2173.500000112.8L319 A320 L321 W325 Y326 I327L319-G323 PolarHBondContact O-N 3.27Å; L319-G323 VanDerWaalsContact O-N 3.14Å; A320-G323 CarbonylContact O-C 3.58Å; A320-G323 WeakPolarHBondContact O-CA 3.17Å; A320-G323 PolarHBondContact O-N 3.33Å; L321-G323 VanDerWaalsContact C-N 3.3Å; L321-G323 PolarHBondContact O-N 3.05Å; G323-W325 VanDerWaalsContact C-N 3.3Å; G323-W325 PolarHBondContact O-N 3.24Å; G323-Y326 PolarHBondContact O-N 3.04Å; G323-I327 VanDerWaalsContact O-CB 3.27Å; G323-I327 WeakPolarHBondContact O-CB 3.35Å; G323-I327 WeakPolarHBondContact O-CD1 3.43Å; G323-I327 WeakPolarHBondContact O-CG1 3.49Å; G323-I327 PolarHBondContact O-N 3.1Å
324I98.9Very high98.8Very high0 Ų016.5 Ų16.50%08%0.082CC..Hα-helixtrans-58.4-44.3174.5-66.3-67.9000110.8A320 L321 Y326 I327 N328 F329 Q500 M503 W504A320-I324 WeakPolarHBondContact O-CG1 3.3Å; A320-I324 PolarHBondContact O-N 3.47Å; L321-I324 PolarHBondContact O-N 3.19Å; I324-Y326 VanDerWaalsContact C-N 3.33Å; I324-Y326 PolarHBondContact O-N 2.91Å; I324-I327 PolarHBondContact O-N 3.39Å; I324-N328 WeakPolarHBondContact O-CB 3.46Å; I324-N328 PolarHBondContact O-N 2.84Å; I324-N328 PolarHBondContact O-OD1 3.24Å; I324-F329 HydrophobicContact CG2-CE2 4.34Å; I324-Q500 HydrophobicContact CD1-CG 4.44Å; I324-Q500 HydrophobicContact CG1-CG 4.46Å; I324-M503 HydrophobicContact CB-CE 4.46Å; I324-M503 HydrophobicContact CD1-CB 4.16Å; I324-M503 HydrophobicContact CD1-SD 4.32Å; I324-M503 HydrophobicContact CG1-CE 3.98Å; I324-M503 HydrophobicContact CG1-SD 3.77Å; I324-M503 HydrophobicContact CG2-CE 4.12Å; I324-W504 HydrophobicContact CD1-CD2 4.18Å; I324-W504 HydrophobicContact CD1-CH2 4.49Å; I324-W504 HydrophobicContact CD1-CZ2 3.58Å; I324-W504 VanDerWaalsContact CD1-NE1 3.27Å
325W98.9Very high98.8Very high0 Ų017.1 Ų17.10%09%0.085CC..Iπ-helixtrans-55.8-47.9176.5-178.6-127.9000111.9L12 W15 Y16 L23 L58 V63 L67 L321 L322 G323 F329 F330L12-W325 HydrophobicContact CD1-CE3 4.16Å; L12-W325 HydrophobicContact CD1-CH2 4.44Å; L12-W325 HydrophobicContact CD1-CZ3 3.7Å; L12-W325 HydrophobicContact CD2-CE3 4.18Å; L12-W325 HydrophobicContact CD2-CZ3 4.36Å; L12-W325 HydrophobicContact CG-CE3 4.18Å; L12-W325 HydrophobicContact CG-CZ3 3.85Å; W15-W325 AromaticContact CE3-CH2 3.97Å; W15-W325 HydrophobicContact CE3-CH2 3.97Å; W15-W325 AromaticContact CZ3-CH2 3.86Å; W15-W325 HydrophobicContact CZ3-CH2 3.86Å; W15-W325 HydrophobicContact CZ3-CZ2 4.05Å; Y16-W325 AromaticContact CD2-CH2 3.6Å; Y16-W325 HydrophobicContact CD2-CH2 3.6Å; Y16-W325 HydrophobicContact CD2-CZ2 4.16Å; Y16-W325 HydrophobicContact CD2-CZ3 4.05Å; Y16-W325 HydrophobicContact CG-CH2 4.22Å; Y16-W325 HydrophobicContact CG-CZ3 4.46Å; L23-W325 HydrophobicContact CD1-CZ2 4.18Å; L58-W325 PolarHBondContact O-NE1 2.98Å; V63-W325 HydrophobicContact CG1-CD2 4.25Å; V63-W325 HydrophobicContact CG1-CH2 4.48Å; V63-W325 HydrophobicContact CG1-CZ2 4.2Å; L67-W325 HydrophobicContact CD1-CB 4.17Å; L67-W325 HydrophobicContact CD2-CB 4.28Å; L321-W325 WeakPolarHBondContact O-CB 3.24Å; L321-W325 PolarHBondContact O-N 2.96Å; L322-W325 WeakPolarHBondContact O-CB 3.5Å; L322-W325 PolarHBondContact O-N 3.41Å; G323-W325 VanDerWaalsContact C-N 3.3Å; G323-W325 PolarHBondContact O-N 3.24Å; W325-F329 HydrophobicContact CD2-CD2 4.49Å; W325-F329 HydrophobicContact CE3-CB 3.89Å; W325-F329 HydrophobicContact CE3-CD1 4.47Å; W325-F329 AromaticContact CE3-CD2 3.49Å; W325-F329 HydrophobicContact CE3-CD2 3.49Å; W325-F329 VanDerWaalsContact CE3-CD2 3.49Å; W325-F329 HydrophobicContact CE3-CE2 4.13Å; W325-F329 AromaticContact CE3-CG 3.68Å; W325-F329 HydrophobicContact CE3-CG 3.68Å; W325-F329 HydrophobicContact CZ3-CB 3.87Å; W325-F329 HydrophobicContact CZ3-CD1 4.11Å; W325-F329 AromaticContact CZ3-CD2 3.96Å; W325-F329 HydrophobicContact CZ3-CD2 3.96Å; W325-F329 AromaticContact CZ3-CG 3.69Å; W325-F329 HydrophobicContact CZ3-CG 3.69Å; W325-F329 WeakPolarHBondContact O-CB 3.37Å; W325-F329 PolarHBondContact O-N 3.35Å; W325-F330 HydrophobicContact CD2-CD2 4.42Å; W325-F330 HydrophobicContact CD2-CE2 4.26Å; W325-F330 AromaticContact CE2-CE2 3.46Å; W325-F330 VanDerWaalsContact CE2-CE2 3.46Å; W325-F330 HydrophobicContact CH2-CE2 4.44Å; W325-F330 HydrophobicContact CZ2-CD2 4.43Å; W325-F330 AromaticContact CZ2-CE2 3.59Å; W325-F330 HydrophobicContact CZ2-CE2 3.59Å; W325-F330 HydrophobicContact CZ2-CZ 4.39Å; W325-F330 AromaticContact NE1-CE2 3.42Å; W325-F330 PolarHBondContact O-N 3.01Å
326Y98.9Very high98.8Very high3 Ų317.1 Ų17.11%0.0129%0.085CC..Iπ-helixtrans-75.6-38.8-178.4-67.8-56.2000114.2N57 L58 L322 G323 I324 F330 H331 A332 M400 P402 P472N57-Y326 WeakPolarHBondContact CA-OH 3.22Å; N57-Y326 VanDerWaalsContact CB-OH 3.28Å; N57-Y326 WeakPolarHBondContact CB-OH 3.28Å; N57-Y326 VanDerWaalsContact OD1-CE2 3.28Å; N57-Y326 WeakPolarHBondContact OD1-CE2 3.49Å; N57-Y326 PolarHBondContact OD1-OH 2.7Å; N57-Y326 VanDerWaalsContact OD1-OH 3.08Å; L58-Y326 HydrophobicContact CB-CE1 4.38Å; L58-Y326 HydrophobicContact CD1-CE1 4.32Å; L58-Y326 PolarHBondContact N-OH 3.47Å; L322-Y326 HydrophobicContact CB-CE2 4.44Å; L322-Y326 WeakPolarHBondContact O-CD2 3.4Å; L322-Y326 PolarHBondContact O-N 2.61Å; G323-Y326 PolarHBondContact O-N 3.04Å; I324-Y326 VanDerWaalsContact C-N 3.33Å; I324-Y326 PolarHBondContact O-N 2.91Å; Y326-F330 HydrophobicContact CD1-CB 4.22Å; Y326-F330 AromaticContact CD1-CD2 3.9Å; Y326-F330 HydrophobicContact CD1-CD2 3.9Å; Y326-F330 HydrophobicContact CD1-CG 4.16Å; Y326-F330 HydrophobicContact CE1-CD2 4.19Å; Y326-F330 HydrophobicContact CE1-CE2 4.44Å; Y326-F330 CarbonylContact O-C 3.55Å; Y326-F330 WeakPolarHBondContact O-CA 3.31Å; Y326-F330 WeakPolarHBondContact O-CB 3.45Å; Y326-F330 PolarHBondContact O-N 3.45Å; Y326-H331 PolarHBondContact O-N 3.46Å; Y326-A332 PolarHBondContact O-N 3.37Å; Y326-M400 HydrophobicContact CD1-SD 4.15Å; Y326-M400 HydrophobicContact CE1-SD 4.46Å; Y326-P402 HydrophobicContact CD1-CG 4.06Å; Y326-P402 HydrophobicContact CD2-CB 3.82Å; Y326-P402 HydrophobicContact CD2-CG 3.67Å; Y326-P402 HydrophobicContact CE2-CB 4.37Å; Y326-P402 HydrophobicContact CE2-CG 4.47Å; Y326-P402 HydrophobicContact CG-CB 4.15Å; Y326-P402 HydrophobicContact CG-CG 3.45Å; Y326-P402 VanDerWaalsContact CG-CG 3.45Å; Y326-P472 HydrophobicContact CD1-CG 4.37Å; Y326-P472 HydrophobicContact CE1-CB 4.04Å; Y326-P472 HydrophobicContact CE1-CG 3.69Å; Y326-P472 HydrophobicContact CE2-CB 4.18Å; Y326-P472 HydrophobicContact CE2-CG 4.3Å; Y326-P472 WeakPolarHBondContact OH-CB 3.36Å
327I98.9Very high98.8Very high10 Ų1017.1 Ų17.15%0.0519%0.085CC..Iπ-helixtrans-73.7-48-176.7-69.3165.2000110.7G323 I324 H331 H373 T374 P376 W504G323-I327 VanDerWaalsContact O-CB 3.27Å; G323-I327 WeakPolarHBondContact O-CB 3.35Å; G323-I327 WeakPolarHBondContact O-CD1 3.43Å; G323-I327 WeakPolarHBondContact O-CG1 3.49Å; G323-I327 PolarHBondContact O-N 3.1Å; I324-I327 PolarHBondContact O-N 3.39Å; I327-H331 WeakPolarHBondContact O-CA 3.49Å; I327-H373 HydrophobicContact CG2-CB 3.66Å; I327-T374 WeakPolarHBondContact CG2-O 3.4Å; I327-P376 HydrophobicContact CD1-CB 4.08Å; I327-P376 HydrophobicContact CD1-CG 3.96Å; I327-P376 HydrophobicContact CG1-CB 4.39Å; I327-W504 HydrophobicContact CB-CZ2 4.39Å; I327-W504 HydrophobicContact CD1-CH2 3.7Å; I327-W504 HydrophobicContact CD1-CZ2 3.75Å; I327-W504 HydrophobicContact CG2-CZ2 3.98Å
328N98.8Very high98.8Very high8 Ų817.1 Ų17.14%0.0439%0.085CC..Iπ-helixtrans-90.1-23.7-168.8-63.6114.4000113.6F9 I324 H373 W504F9-N328 HydrophobicContact CE2-CB 4.02Å; F9-N328 HydrophobicContact CZ-CB 4.23Å; I324-N328 WeakPolarHBondContact O-CB 3.46Å; I324-N328 PolarHBondContact O-N 2.84Å; I324-N328 PolarHBondContact O-OD1 3.24Å; N328-H373 PolarHBondContact ND2-O 3.02Å; N328-W504 PolarHBondContact OD1-NE1 3.25Å
329F98.7Very high98.8Very high0 Ų017.1 Ų17.10%09%0.085CC..Iπ-helixtrans-112-48.2-178.1-54.7-90.4000112.4F9 L12 Q13 Y16 I324 W325 H331F9-F329 HydrophobicContact CD2-CE2 4.44Å; F9-F329 AromaticContact CD2-CZ 3.77Å; F9-F329 HydrophobicContact CD2-CZ 3.77Å; F9-F329 HydrophobicContact CE1-CE1 4.45Å; F9-F329 HydrophobicContact CE1-CZ 4.46Å; F9-F329 HydrophobicContact CE2-CE1 4.19Å; F9-F329 AromaticContact CE2-CE2 3.95Å; F9-F329 HydrophobicContact CE2-CE2 3.95Å; F9-F329 AromaticContact CE2-CZ 3.47Å; F9-F329 HydrophobicContact CE2-CZ 3.47Å; F9-F329 VanDerWaalsContact CE2-CZ 3.47Å; F9-F329 HydrophobicContact CG-CZ 4.39Å; F9-F329 HydrophobicContact CZ-CE1 4.1Å; F9-F329 AromaticContact CZ-CZ 3.86Å; F9-F329 HydrophobicContact CZ-CZ 3.86Å; L12-F329 HydrophobicContact CB-CE1 3.97Å; L12-F329 HydrophobicContact CB-CZ 3.82Å; L12-F329 HydrophobicContact CD2-CD2 4.31Å; L12-F329 HydrophobicContact CD2-CE1 4.16Å; L12-F329 HydrophobicContact CD2-CE2 3.45Å; L12-F329 VanDerWaalsContact CD2-CE2 3.45Å; L12-F329 HydrophobicContact CD2-CZ 3.37Å; L12-F329 HydrophobicContact CG-CD1 4.44Å; L12-F329 HydrophobicContact CG-CE1 3.79Å; L12-F329 HydrophobicContact CG-CE2 3.97Å; L12-F329 HydrophobicContact CG-CZ 3.52Å; Q13-F329 HydrophobicContact CB-CD1 4.47Å; Q13-F329 HydrophobicContact CB-CE1 3.97Å; Y16-F329 HydrophobicContact CD1-CB 4.34Å; Y16-F329 HydrophobicContact CD2-CB 3.67Å; Y16-F329 WeakPolarHBondContact CE1-O 3.48Å; Y16-F329 HydrophobicContact CE2-CB 3.98Å; Y16-F329 HydrophobicContact CG-CB 3.89Å; Y16-F329 HydrophobicContact CG-CD1 4.3Å; Y16-F329 PolarHBondContact OH-O 2.76Å; I324-F329 HydrophobicContact CG2-CE2 4.34Å; W325-F329 HydrophobicContact CD2-CD2 4.49Å; W325-F329 HydrophobicContact CE3-CB 3.89Å; W325-F329 HydrophobicContact CE3-CD1 4.47Å; W325-F329 AromaticContact CE3-CD2 3.49Å; W325-F329 HydrophobicContact CE3-CD2 3.49Å; W325-F329 VanDerWaalsContact CE3-CD2 3.49Å; W325-F329 HydrophobicContact CE3-CE2 4.13Å; W325-F329 AromaticContact CE3-CG 3.68Å; W325-F329 HydrophobicContact CE3-CG 3.68Å; W325-F329 HydrophobicContact CZ3-CB 3.87Å; W325-F329 HydrophobicContact CZ3-CD1 4.11Å; W325-F329 AromaticContact CZ3-CD2 3.96Å; W325-F329 HydrophobicContact CZ3-CD2 3.96Å; W325-F329 AromaticContact CZ3-CG 3.69Å; W325-F329 HydrophobicContact CZ3-CG 3.69Å; W325-F329 WeakPolarHBondContact O-CB 3.37Å; W325-F329 PolarHBondContact O-N 3.35Å; F329-H331 VanDerWaalsContact C-N 3.3Å; F329-H331 PolarHBondContact O-CD2 2.88Å; F329-H331 VanDerWaalsContact O-CD2 3.29Å; F329-H331 PolarHBondContact O-NE2 3.36Å
330F98.6Very high98.8Very high35 Ų3517 Ų1715%0.1548%0.084CC..SBendtrans-81.9-7175.1-77.5-89.5000114.2Y16 A20 L23 L58 W325 Y326 A332 M400Y16-F330 HydrophobicContact CD2-CD2 4.46Å; Y16-F330 HydrophobicContact CD2-CE2 4.19Å; Y16-F330 HydrophobicContact CE2-CD1 4.14Å; Y16-F330 AromaticContact CE2-CD2 3.85Å; Y16-F330 HydrophobicContact CE2-CD2 3.85Å; Y16-F330 HydrophobicContact CE2-CE1 4.1Å; Y16-F330 AromaticContact CE2-CE2 3.78Å; Y16-F330 HydrophobicContact CE2-CE2 3.78Å; Y16-F330 HydrophobicContact CE2-CG 4.04Å; Y16-F330 AromaticContact CE2-CZ 3.92Å; Y16-F330 HydrophobicContact CE2-CZ 3.92Å; A20-F330 HydrophobicContact CB-CZ 4.32Å; L23-F330 HydrophobicContact CD1-CZ 4.4Å; L58-F330 HydrophobicContact CB-CZ 4.23Å; L58-F330 HydrophobicContact CD1-CE1 3.99Å; L58-F330 HydrophobicContact CD1-CZ 3.95Å; W325-F330 HydrophobicContact CD2-CD2 4.42Å; W325-F330 HydrophobicContact CD2-CE2 4.26Å; W325-F330 AromaticContact CE2-CE2 3.46Å; W325-F330 VanDerWaalsContact CE2-CE2 3.46Å; W325-F330 HydrophobicContact CH2-CE2 4.44Å; W325-F330 HydrophobicContact CZ2-CD2 4.43Å; W325-F330 AromaticContact CZ2-CE2 3.59Å; W325-F330 HydrophobicContact CZ2-CE2 3.59Å; W325-F330 HydrophobicContact CZ2-CZ 4.39Å; W325-F330 AromaticContact NE1-CE2 3.42Å; W325-F330 PolarHBondContact O-N 3.01Å; Y326-F330 HydrophobicContact CD1-CB 4.22Å; Y326-F330 AromaticContact CD1-CD2 3.9Å; Y326-F330 HydrophobicContact CD1-CD2 3.9Å; Y326-F330 HydrophobicContact CD1-CG 4.16Å; Y326-F330 HydrophobicContact CE1-CD2 4.19Å; Y326-F330 HydrophobicContact CE1-CE2 4.44Å; Y326-F330 CarbonylContact O-C 3.55Å; Y326-F330 WeakPolarHBondContact O-CA 3.31Å; Y326-F330 WeakPolarHBondContact O-CB 3.45Å; Y326-F330 PolarHBondContact O-N 3.45Å; F330-A332 PolarHBondContact O-N 2.7Å; F330-M400 HydrophobicContact CB-SD 3.68Å; F330-M400 HydrophobicContact CD1-CE 3.47Å; F330-M400 VanDerWaalsContact CD1-CE 3.47Å; F330-M400 HydrophobicContact CD1-SD 3.43Å; F330-M400 WeakPolarHBondContact CD1-SD 3.46Å; F330-M400 HydrophobicContact CE1-CE 3.81Å; F330-M400 HydrophobicContact CE1-SD 4.22Å; F330-M400 HydrophobicContact CG-CE 4.34Å; F330-M400 HydrophobicContact CG-SD 3.69Å
331H98.3Very high98.8Very high102 Ų10217.8 Ų17.847%0.4729%0.089SC..  trans55.334-178.6-52-67.9000113.7Y326 I327 F329 E333 H373Y326-H331 PolarHBondContact O-N 3.46Å; I327-H331 WeakPolarHBondContact O-CA 3.49Å; F329-H331 VanDerWaalsContact C-N 3.3Å; F329-H331 PolarHBondContact O-CD2 2.88Å; F329-H331 VanDerWaalsContact O-CD2 3.29Å; F329-H331 PolarHBondContact O-NE2 3.36Å; H331-E333 PolarHBondContact O-N 2.86Å; H331-E333 VanDerWaalsContact O-N 3.16Å; H331-H373 AromaticContact ND1-CD2 3.65Å; H331-H373 AromaticContact ND1-NE2 3.77Å
332A98.7Very high98.8Very high6 Ų623.4 Ų23.45%0.0512%0.115CC..  trans-70.8108.5173.900000109.8Y326 F330 T334 P402Y326-A332 PolarHBondContact O-N 3.37Å; F330-A332 PolarHBondContact O-N 2.7Å; A332-T334 VanDerWaalsContact C-N 3.26Å; A332-T334 PolarHBondContact O-N 2.86Å; A332-P402 HydrophobicContact CB-CG 3.9Å
333E98.8Very high98.8Very high140 Ų14026.1 Ų26.165%0.65413%0.125SC*.  trans-70.1-21.6-178.8-66.4-178.8-168.200113.6H331 P376 I377H331-E333 PolarHBondContact O-N 2.86Å; H331-E333 VanDerWaalsContact O-N 3.16Å; E333-P376 WeakPolarHBondContact O-CA 3.48Å; E333-I377 PolarHBondContact O-N 3.17Å
334T98.9Very high98.8Very high31 Ų3125.8 Ų25.819%0.1912%0.122CC..EExtended strand (participates in β ladder)trans-124.2148.5-171.175.20000112.2A332 I377 W379 P402A332-T334 VanDerWaalsContact C-N 3.26Å; A332-T334 PolarHBondContact O-N 2.86Å; T334-I377 CarbonylContact C-O 3.52Å; T334-I377 VanDerWaalsContact CA-O 3.22Å; T334-I377 WeakPolarHBondContact CA-O 3.16Å; T334-I377 WeakPolarHBondContact CB-O 3.5Å; T334-I377 HydrophobicContact CG2-CB 4.2Å; T334-W379 PolarHBondContact OG1-NE1 3.33Å; T334-P402 WeakPolarHBondContact O-CD 3.4Å
335H98.9Very high98.8Very high12 Ų1228.4 Ų28.46%0.05613%0.134CC..EExtended strand (participates in β ladder)trans-124.2121.6168.9-17980.4000108.9P376 I377 V378 W379 D404 K496H335-P376 HydrophobicContact CB-CB 4.13Å; H335-P376 HydrophobicContact CB-CG 3.81Å; H335-I377 PolarHBondContact N-O 2.8Å; H335-V378 WeakPolarHBondContact O-CA 3.44Å; H335-W379 PolarHBondContact O-N 3.07Å; H335-D404 IonicContact CE1-OD1 3.95Å; H335-D404 PolarHBondContact CE1-OD1 3.2Å; H335-D404 IonicContact CE1-OD2 2.73Å; H335-D404 PolarHBondContact CE1-OD2 3.42Å; H335-D404 VanDerWaalsContact NE2-CG 3.27Å; H335-D404 IonicContact NE2-OD1 3.96Å; H335-D404 IonicContact NE2-OD2 2.65Å; H335-D404 PolarHBondContact NE2-OD2 3.37Å; H335-K496 PolarHBondContact NE2-NZ 2.93Å
336T98.8Very high98.8Very high0 Ų032.2 Ų32.20%015%0.148CC..EExtended strand (participates in β ladder)trans-99.8137.4-179.3-166.50000113.1L338 W379 V401 P402 A403 D404T336-L338 HydrophobicContact CG2-CD1 3.7Å; T336-L338 HydrophobicContact CG2-CG 4.02Å; T336-W379 CarbonylContact C-O 3.34Å; T336-W379 WeakPolarHBondContact CA-O 3.39Å; T336-W379 WeakPolarHBondContact CB-O 3.49Å; T336-W379 PolarHBondContact OG1-O 3.47Å; T336-V401 HydrophobicContact CG2-CG1 3.68Å; T336-P402 PolarHBondContact N-O 2.89Å; T336-A403 HydrophobicContact CG2-CB 3.31Å; T336-A403 WeakPolarHBondContact O-CA 3.29Å; T336-D404 PolarHBondContact O-N 3.28Å
337M98.9Very high98.8Very high1 Ų132 Ų321%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-115.4118.6176.8-61.1177.869.500109.2P339 F347 T348 F351 V378 W379 Y493M337-P339 WeakPolarHBondContact O-CD 3.21Å; M337-F347 HydrophobicContact CE-CD1 3.75Å; M337-F347 HydrophobicContact CE-CE1 3.34Å; M337-F347 HydrophobicContact CE-CZ 4.35Å; M337-T348 HydrophobicContact CB-CG2 4.01Å; M337-T348 PolarHBondContact O-OG1 3.14Å; M337-F351 HydrophobicContact CE-CB 4.04Å; M337-F351 HydrophobicContact CE-CD2 3.57Å; M337-F351 HydrophobicContact CE-CE2 4.34Å; M337-F351 HydrophobicContact CE-CG 3.93Å; M337-F351 HydrophobicContact SD-CB 3.59Å; M337-F351 VanDerWaalsContact SD-CB 3.59Å; M337-F351 HydrophobicContact SD-CD2 4.29Å; M337-F351 HydrophobicContact SD-CG 4.12Å; M337-V378 HydrophobicContact CG-CG1 4.31Å; M337-V378 HydrophobicContact SD-CG1 3.85Å; M337-W379 PolarHBondContact N-O 3.49Å; M337-Y493 HydrophobicContact CE-CD1 4.06Å; M337-Y493 HydrophobicContact CE-CD2 4.27Å; M337-Y493 HydrophobicContact CE-CE1 3.7Å; M337-Y493 HydrophobicContact CE-CE2 3.93Å; M337-Y493 HydrophobicContact CE-CG 4.33Å; M337-Y493 HydrophobicContact SD-CE1 4.41Å
338L98.9Very high98.8Very high0 Ų031.8 Ų31.80%015%0.146CC..EExtended strand (participates in β ladder)trans-126.877.2-166.1-60.2170000109.8T336 Y340 F390 Y391 A403 D404 F405 L406T336-L338 HydrophobicContact CG2-CD1 3.7Å; T336-L338 HydrophobicContact CG2-CG 4.02Å; L338-Y340 WeakPolarHBondContact O-CD2 3.16Å; L338-Y340 PolarHBondContact O-N 3.39Å; L338-F390 HydrophobicContact CD2-CE2 3.86Å; L338-F390 HydrophobicContact CD2-CZ 3.9Å; L338-Y391 HydrophobicContact CD1-CE1 4.01Å; L338-Y391 WeakPolarHBondContact CD1-OH 3.39Å; L338-Y391 HydrophobicContact CD2-CE1 3.98Å; L338-A403 HydrophobicContact CD1-CB 4.12Å; L338-D404 PolarHBondContact N-O 3.06Å; L338-F405 HydrophobicContact CD1-CD2 4.18Å; L338-F405 HydrophobicContact CD1-CE1 4.4Å; L338-F405 HydrophobicContact CD1-CE2 3.61Å; L338-F405 HydrophobicContact CD1-CZ 3.73Å; L338-L406 PolarHBondContact O-N 2.95Å
339P98.8Very high98.8Very high0 Ų031.9 Ų31.90%015%0.149CC..EExtended strand (participates in β ladder)trans-71.6123.1176.229.3-32.8000110.7M337 D341 M344 P382 G383 L406M337-P339 WeakPolarHBondContact O-CD 3.21Å; P339-D341 PolarHBondContact O-N 3.43Å; P339-M344 HydrophobicContact CB-CB 3.64Å; P339-M344 HydrophobicContact CB-CE 4.08Å; P339-M344 HydrophobicContact CB-CG 4.44Å; P339-M344 HydrophobicContact CB-SD 4.02Å; P339-M344 HydrophobicContact CG-CB 3.96Å; P339-P382 CarbonylContact O-C 3.31Å; P339-P382 WeakPolarHBondContact O-CA 3.26Å; P339-P382 WeakPolarHBondContact O-CB 3.48Å; P339-G383 PolarHBondContact O-N 3.09Å; P339-L406 CarbonylContact C-O 3.25Å; P339-L406 WeakPolarHBondContact CA-O 3.42Å; P339-L406 HydrophobicContact CB-CB 4.46Å
340Y98.9Very high98.8Very high0 Ų032.2 Ų32.20%015%0.15CC..SBendtrans-84.657.2169.8-78.6-120.3000109L338 T384 Q387 Y391 F405 L406 I407 L424 N427 F428L338-Y340 WeakPolarHBondContact O-CD2 3.16Å; L338-Y340 PolarHBondContact O-N 3.39Å; Y340-T384 HydrophobicContact CD1-CG2 4.43Å; Y340-T384 HydrophobicContact CE1-CG2 4.11Å; Y340-Q387 PolarHBondContact OH-NE2 3.39Å; Y340-Y391 PolarHBondContact OH-OH 2.8Å; Y340-F405 HydrophobicContact CD2-CD1 4.05Å; Y340-F405 AromaticContact CE2-CD1 3.32Å; Y340-F405 HydrophobicContact CE2-CD1 3.32Å; Y340-F405 AromaticContact CE2-CE1 3.54Å; Y340-F405 HydrophobicContact CE2-CE1 3.54Å; Y340-F405 HydrophobicContact CE2-CG 4.41Å; Y340-F405 AromaticContact CZ-CD1 3.91Å; Y340-F405 AromaticContact CZ-CE1 3.78Å; Y340-F405 WeakPolarHBondContact OH-CE1 3.46Å; Y340-L406 PolarHBondContact N-O 3.44Å; Y340-I407 HydrophobicContact CG-CD1 4.49Å; Y340-L424 HydrophobicContact CD1-CD1 3.79Å; Y340-L424 HydrophobicContact CD1-CG 4.39Å; Y340-L424 HydrophobicContact CG-CD1 4.42Å; Y340-L424 WeakPolarHBondContact O-CD2 3.1Å; Y340-N427 HydrophobicContact CE1-CB 4.23Å; Y340-F428 HydrophobicContact CD1-CB 3.65Å; Y340-F428 HydrophobicContact CD1-CD2 4.29Å; Y340-F428 HydrophobicContact CD1-CG 4.5Å; Y340-F428 AromaticContact CD2-CD2 3.79Å; Y340-F428 HydrophobicContact CD2-CD2 3.79Å; Y340-F428 HydrophobicContact CE1-CB 3.99Å; Y340-F428 HydrophobicContact CE2-CD2 4.39Å; Y340-F428 HydrophobicContact CG-CB 4.02Å; Y340-F428 AromaticContact CG-CD2 3.77Å; Y340-F428 HydrophobicContact CG-CD2 3.77Å; Y340-F428 HydrophobicContact CG-CG 4.41Å
341D98.9Very high98.8Very high17 Ų1730.7 Ų30.79%0.09114%0.143CC..  trans-155.4126.3178.7-178.4-82000109P339 Y343 M344P339-D341 PolarHBondContact O-N 3.43Å; D341-Y343 VanDerWaalsContact OD1-CA 3.32Å; D341-Y343 WeakPolarHBondContact OD1-CA 3.28Å; D341-Y343 VanDerWaalsContact OD1-CB 3.25Å; D341-Y343 WeakPolarHBondContact OD1-CB 3.2Å; D341-Y343 PolarHBondContact OD1-N 3.1Å; D341-M344 HydrophobicContact CB-CB 4.19Å; D341-M344 HydrophobicContact CB-CG 4.01Å; D341-M344 HydrophobicContact CB-SD 4.01Å; D341-M344 PolarHBondContact O-N 2.82Å; D341-M344 PolarHBondContact OD1-N 2.97Å
342Q98.9Very high98.8Very high118 Ų11829.6 Ų29.655%0.55114%0.138SC*.SBendtrans-73.2-28-175.7-17260.152.900112.7M344 H345Q342-M344 PolarHBondContact O-N 3.16Å; Q342-H345 WeakPolarHBondContact O-CB 3.34Å; Q342-H345 PolarHBondContact O-CD2 3.46Å; Q342-H345 VanDerWaalsContact O-CD2 3.31Å; Q342-H345 PolarHBondContact O-N 3.49Å
343Y98.9Very high98.8Very high58 Ų5830.6 Ų30.623%0.22714%0.142CC..G310 helixtrans-69.3-27.1175.7-72.7-56.8000111.2E168 A169 K171 P172 D341 H345 Q412 H413E168-Y343 CarbonylContact C-O 3.35Å; E168-Y343 WeakPolarHBondContact O-CD1 3.35Å; A169-Y343 VanDerWaalsContact CA-O 3.29Å; A169-Y343 WeakPolarHBondContact CA-O 3.3Å; A169-Y343 PolarHBondContact N-O 3.03Å; K171-Y343 HydrophobicContact CB-CD1 3.91Å; K171-Y343 HydrophobicContact CB-CE1 3.49Å; K171-Y343 VanDerWaalsContact CB-CE1 3.49Å; K171-Y343 HydrophobicContact CG-CE1 4.15Å; P172-Y343 HydrophobicContact CG-CD2 4.04Å; P172-Y343 HydrophobicContact CG-CE1 4.48Å; P172-Y343 HydrophobicContact CG-CE2 3.36Å; D341-Y343 VanDerWaalsContact OD1-CA 3.32Å; D341-Y343 WeakPolarHBondContact OD1-CA 3.28Å; D341-Y343 VanDerWaalsContact OD1-CB 3.25Å; D341-Y343 WeakPolarHBondContact OD1-CB 3.2Å; D341-Y343 PolarHBondContact OD1-N 3.1Å; Y343-H345 PolarHBondContact O-N 3.02Å; Y343-Q412 HydrophobicContact CE2-CB 4.29Å; Y343-H413 AromaticContact CE2-CD2 3.8Å; Y343-H413 AromaticContact CE2-NE2 3.56Å; Y343-H413 AromaticContact CZ-NE2 3.6Å; Y343-H413 PolarHBondContact OH-NE2 2.91Å
344M98.9Very high98.8Very high0 Ų024 Ų240%011%0.112CC..G310 helixtrans-79.315.8173.8-64.3-177.873.400114.7P339 D341 Q342 R346 F347 L406 F478 L481P339-M344 HydrophobicContact CB-CB 3.64Å; P339-M344 HydrophobicContact CB-CE 4.08Å; P339-M344 HydrophobicContact CB-CG 4.44Å; P339-M344 HydrophobicContact CB-SD 4.02Å; P339-M344 HydrophobicContact CG-CB 3.96Å; D341-M344 HydrophobicContact CB-CB 4.19Å; D341-M344 HydrophobicContact CB-CG 4.01Å; D341-M344 HydrophobicContact CB-SD 4.01Å; D341-M344 PolarHBondContact O-N 2.82Å; D341-M344 PolarHBondContact OD1-N 2.97Å; Q342-M344 PolarHBondContact O-N 3.16Å; M344-R346 PolarHBondContact O-N 2.81Å; M344-R346 VanDerWaalsContact O-N 3.07Å; M344-F347 HydrophobicContact CB-CB 4.02Å; M344-F347 HydrophobicContact CE-CB 4.15Å; M344-F347 HydrophobicContact CE-CD1 3.79Å; M344-F347 HydrophobicContact CE-CD2 3.61Å; M344-F347 HydrophobicContact CE-CE1 3.97Å; M344-F347 HydrophobicContact CE-CE2 3.81Å; M344-F347 HydrophobicContact CE-CG 3.59Å; M344-F347 HydrophobicContact CE-CZ 3.98Å; M344-F347 WeakPolarHBondContact O-CB 3.46Å; M344-F347 PolarHBondContact O-N 2.79Å; M344-L406 HydrophobicContact CE-CD2 4.45Å; M344-F478 HydrophobicContact SD-CZ 4.05Å; M344-L481 HydrophobicContact CG-CD1 4.45Å; M344-L481 HydrophobicContact CG-CD2 3.53Å; M344-L481 HydrophobicContact SD-CD1 4.02Å; M344-L481 HydrophobicContact SD-CD2 3.97Å
345H98.9Very high98.8Very high55 Ų5522.6 Ų22.626%0.25510%0.103SC..G310 helixtrans-59.4-23.2-176.975104.8000115.7E168 Q342 Y343 P382E168-H345 IonicContact OE2-CD2 2.7Å; E168-H345 IonicContact OE2-CE1 3.59Å; E168-H345 IonicContact OE2-NE2 2.78Å; E168-H345 PolarHBondContact OE2-NE2 3.18Å; Q342-H345 WeakPolarHBondContact O-CB 3.34Å; Q342-H345 PolarHBondContact O-CD2 3.46Å; Q342-H345 VanDerWaalsContact O-CD2 3.31Å; Q342-H345 PolarHBondContact O-N 3.49Å; Y343-H345 PolarHBondContact O-N 3.02Å; H345-P382 HydrophobicContact CB-CG 3.79Å
346R98.8Very high98.8Very high80 Ų8025.4 Ų25.430%0.30212%0.117SC..G310 helixtrans-98.90.9174.1-56.8-53.8-64.2158.7-3114L164 M165 M344 T348 A349 Y350L164-R346 HydrophobicContact CG-CG 4.44Å; M165-R346 HydrophobicContact CB-CB 3.91Å; M165-R346 HydrophobicContact CG-CB 4.07Å; M344-R346 PolarHBondContact O-N 2.81Å; M344-R346 VanDerWaalsContact O-N 3.07Å; R346-T348 PolarHBondContact O-N 3.44Å; R346-A349 PolarHBondContact O-N 3Å; R346-Y350 PolarHBondContact O-N 3.02Å
347F98.9Very high98.8Very high0 Ų028.1 Ų28.10%013%0.13CC..Hα-helixtrans-60.7-45.9-177.7-170-102.8000111.7M165 M337 M344 Y350 F351 L406 L486 I490 Y493M165-F347 HydrophobicContact CE-CD2 4.44Å; M165-F347 HydrophobicContact SD-CD2 4.03Å; M337-F347 HydrophobicContact CE-CD1 3.75Å; M337-F347 HydrophobicContact CE-CE1 3.34Å; M337-F347 HydrophobicContact CE-CZ 4.35Å; M344-F347 HydrophobicContact CB-CB 4.02Å; M344-F347 HydrophobicContact CE-CB 4.15Å; M344-F347 HydrophobicContact CE-CD1 3.79Å; M344-F347 HydrophobicContact CE-CD2 3.61Å; M344-F347 HydrophobicContact CE-CE1 3.97Å; M344-F347 HydrophobicContact CE-CE2 3.81Å; M344-F347 HydrophobicContact CE-CG 3.59Å; M344-F347 HydrophobicContact CE-CZ 3.98Å; M344-F347 WeakPolarHBondContact O-CB 3.46Å; M344-F347 PolarHBondContact O-N 2.79Å; F347-Y350 WeakPolarHBondContact O-CB 3.45Å; F347-Y350 PolarHBondContact O-N 2.8Å; F347-F351 HydrophobicContact CD1-CD2 4.11Å; F347-F351 HydrophobicContact CD1-CE2 4.39Å; F347-F351 HydrophobicContact CD2-CE2 4.23Å; F347-F351 AromaticContact CE1-CD2 3.85Å; F347-F351 HydrophobicContact CE1-CD2 3.85Å; F347-F351 AromaticContact CE1-CE2 3.83Å; F347-F351 HydrophobicContact CE1-CE2 3.83Å; F347-F351 HydrophobicContact CE2-CD2 4.27Å; F347-F351 AromaticContact CE2-CE2 3.64Å; F347-F351 HydrophobicContact CE2-CE2 3.64Å; F347-F351 HydrophobicContact CG-CD2 4.45Å; F347-F351 AromaticContact CZ-CD2 3.94Å; F347-F351 HydrophobicContact CZ-CD2 3.94Å; F347-F351 AromaticContact CZ-CE2 3.42Å; F347-F351 HydrophobicContact CZ-CE2 3.42Å; F347-F351 VanDerWaalsContact CZ-CE2 3.42Å; F347-F351 HydrophobicContact CZ-CZ 4.49Å; F347-F351 WeakPolarHBondContact O-CD2 3.22Å; F347-F351 PolarHBondContact O-N 3.07Å; F347-F351 VanDerWaalsContact O-N 3.15Å; F347-L406 HydrophobicContact CE1-CD2 3.94Å; F347-L406 HydrophobicContact CZ-CD2 4.37Å; F347-L486 HydrophobicContact CD2-CD1 4.36Å; F347-L486 HydrophobicContact CE2-CD1 4.18Å; F347-I490 HydrophobicContact CE2-CG1 4.19Å; F347-Y493 HydrophobicContact CE1-CD2 4.48Å; F347-Y493 HydrophobicContact CE1-CE2 4.23Å; F347-Y493 HydrophobicContact CZ-CD2 4.22Å; F347-Y493 HydrophobicContact CZ-CE2 4.28Å
348T98.8Very high98.8Very high4 Ų428 Ų283%0.02513%0.129CC..Hα-helixtrans-66.2-42178.4-54.10000111.8M337 R346 Y350 F351 Q352 V378M337-T348 HydrophobicContact CB-CG2 4.01Å; M337-T348 PolarHBondContact O-OG1 3.14Å; R346-T348 PolarHBondContact O-N 3.44Å; T348-Y350 VanDerWaalsContact C-N 3.31Å; T348-Y350 PolarHBondContact O-N 3.37Å; T348-F351 CarbonylContact O-C 3.6Å; T348-F351 PolarHBondContact O-N 3.32Å; T348-F351 VanDerWaalsContact O-N 3.15Å; T348-Q352 WeakPolarHBondContact O-CG 3.46Å; T348-Q352 PolarHBondContact O-N 2.85Å; T348-V378 HydrophobicContact CG2-CG1 4.3Å
349A98.7Very high98.8Very high11 Ų1128 Ų289%0.09113%0.129CC..Hα-helixtrans-64.8-33.1176.300000113.1R346 Q352R346-A349 PolarHBondContact O-N 3Å; A349-Q352 WeakPolarHBondContact O-CB 3.46Å; A349-Q352 PolarHBondContact O-N 2.77Å
350Y98.9Very high98.8Very high7 Ų730.5 Ų30.53%0.02716%0.155CC..Hα-helixtrans-62.4-45.8171.1173.2-96.6000111.3L161 M165 R272 L275 R346 F347 T348 Q352 Q353 G354 I490L161-Y350 HydrophobicContact CB-CD2 4.32Å; M165-Y350 HydrophobicContact CE-CD1 3.69Å; M165-Y350 HydrophobicContact CE-CD2 4.01Å; M165-Y350 HydrophobicContact CE-CE1 4.16Å; M165-Y350 HydrophobicContact CE-CE2 4.43Å; M165-Y350 HydrophobicContact CE-CG 3.6Å; R272-Y350 PolarHBondContact O-OH 3.34Å; L275-Y350 HydrophobicContact CD2-CE2 3.7Å; L275-Y350 VanDerWaalsContact CD2-OH 3.31Å; L275-Y350 WeakPolarHBondContact CD2-OH 3.39Å; R346-Y350 PolarHBondContact O-N 3.02Å; F347-Y350 WeakPolarHBondContact O-CB 3.45Å; F347-Y350 PolarHBondContact O-N 2.8Å; T348-Y350 VanDerWaalsContact C-N 3.31Å; T348-Y350 PolarHBondContact O-N 3.37Å; Y350-Q352 PolarHBondContact O-N 3.45Å; Y350-Q353 PolarHBondContact O-N 3.14Å; Y350-G354 PolarHBondContact O-N 3.38Å; Y350-I490 HydrophobicContact CE1-CG2 3.73Å
351F98.9Very high98.8Very high3 Ų332 Ų321%0.01316%0.161CC..Hα-helixtrans-77.7-14.8178.9-79.3-64.9000115M337 F347 T348 Q353 G354 D355 I490 Y493 I497M337-F351 HydrophobicContact CE-CB 4.04Å; M337-F351 HydrophobicContact CE-CD2 3.57Å; M337-F351 HydrophobicContact CE-CE2 4.34Å; M337-F351 HydrophobicContact CE-CG 3.93Å; M337-F351 HydrophobicContact SD-CB 3.59Å; M337-F351 VanDerWaalsContact SD-CB 3.59Å; M337-F351 HydrophobicContact SD-CD2 4.29Å; M337-F351 HydrophobicContact SD-CG 4.12Å; F347-F351 HydrophobicContact CD1-CD2 4.11Å; F347-F351 HydrophobicContact CD1-CE2 4.39Å; F347-F351 HydrophobicContact CD2-CE2 4.23Å; F347-F351 AromaticContact CE1-CD2 3.85Å; F347-F351 HydrophobicContact CE1-CD2 3.85Å; F347-F351 AromaticContact CE1-CE2 3.83Å; F347-F351 HydrophobicContact CE1-CE2 3.83Å; F347-F351 HydrophobicContact CE2-CD2 4.27Å; F347-F351 AromaticContact CE2-CE2 3.64Å; F347-F351 HydrophobicContact CE2-CE2 3.64Å; F347-F351 HydrophobicContact CG-CD2 4.45Å; F347-F351 AromaticContact CZ-CD2 3.94Å; F347-F351 HydrophobicContact CZ-CD2 3.94Å; F347-F351 AromaticContact CZ-CE2 3.42Å; F347-F351 HydrophobicContact CZ-CE2 3.42Å; F347-F351 VanDerWaalsContact CZ-CE2 3.42Å; F347-F351 HydrophobicContact CZ-CZ 4.49Å; F347-F351 WeakPolarHBondContact O-CD2 3.22Å; F347-F351 PolarHBondContact O-N 3.07Å; F347-F351 VanDerWaalsContact O-N 3.15Å; T348-F351 CarbonylContact O-C 3.6Å; T348-F351 PolarHBondContact O-N 3.32Å; T348-F351 VanDerWaalsContact O-N 3.15Å; F351-Q353 VanDerWaalsContact C-N 3.31Å; F351-G354 PolarHBondContact O-N 2.95Å; F351-D355 WeakPolarHBondContact O-CB 3.28Å; F351-D355 PolarHBondContact O-N 3.31Å; F351-I490 HydrophobicContact CZ-CB 4.37Å; F351-I490 HydrophobicContact CZ-CG2 3.95Å; F351-Y493 HydrophobicContact CE1-CG 4.17Å; F351-Y493 HydrophobicContact CE2-CD2 4.25Å; F351-Y493 HydrophobicContact CE2-CG 4.28Å; F351-Y493 HydrophobicContact CZ-CD2 4.29Å; F351-Y493 HydrophobicContact CZ-CG 4.04Å; F351-I497 HydrophobicContact CD1-CD1 4.04Å; F351-I497 HydrophobicContact CE1-CD1 4.25Å
352Q98.8Very high98.8Very high79 Ų7938 Ų3837%0.36918%0.184SC..Iπ-helixtrans-56.7-49.1162.9-77.5178.3-31.200110.6T348 A349 Y350 M356 V378T348-Q352 WeakPolarHBondContact O-CG 3.46Å; T348-Q352 PolarHBondContact O-N 2.85Å; A349-Q352 WeakPolarHBondContact O-CB 3.46Å; A349-Q352 PolarHBondContact O-N 2.77Å; Y350-Q352 PolarHBondContact O-N 3.45Å; Q352-M356 HydrophobicContact CB-SD 4.11Å; Q352-M356 HydrophobicContact CG-SD 4.19Å; Q352-M356 WeakPolarHBondContact O-CB 3.39Å; Q352-M356 VanDerWaalsContact O-CG 3.22Å; Q352-M356 WeakPolarHBondContact O-CG 3.22Å; Q352-M356 PolarHBondContact O-N 2.93Å; Q352-V378 HydrophobicContact CG-CB 4.26Å; Q352-V378 HydrophobicContact CG-CG1 4.24Å; Q352-V378 VanDerWaalsContact CG-O 3.22Å; Q352-V378 WeakPolarHBondContact CG-O 3.27Å; Q352-V378 PolarHBondContact NE2-O 2.89Å
353Q98.7Very high98.8Very high26 Ų2635.6 Ų35.612%0.12117%0.174CC..Iπ-helixtrans-69.3-48.9173.9-173.3-179.829.400111.3G157 L161 R272 Y350 F351 D355 E357G157-Q353 VanDerWaalsContact C-OE1 3.25Å; L161-Q353 HydrophobicContact CD1-CB 3.85Å; R272-Q353 HydrophobicContact CB-CG 3.88Å; Y350-Q353 PolarHBondContact O-N 3.14Å; F351-Q353 VanDerWaalsContact C-N 3.31Å; Q353-D355 VanDerWaalsContact C-N 3.33Å; Q353-D355 PolarHBondContact O-N 3.44Å; Q353-E357 HydrophobicContact CG-CB 4.25Å; Q353-E357 PolarHBondContact NE2-OE2 3.03Å; Q353-E357 WeakPolarHBondContact O-CB 3.43Å; Q353-E357 PolarHBondContact O-N 3.24Å; Q353-E357 VanDerWaalsContact O-N 3.14Å
354G98.7Very high98.8Very high2 Ų233.3 Ų33.32%0.02117%0.166CC..Iπ-helixtrans-54-47-175.900000113.2Y350 F351 S358Y350-G354 PolarHBondContact O-N 3.38Å; F351-G354 PolarHBondContact O-N 2.95Å; G354-S358 VanDerWaalsContact O-CB 3.22Å; G354-S358 WeakPolarHBondContact O-CB 3.39Å; G354-S358 PolarHBondContact O-OG 2.84Å
355D98.9Very high98.5Very high2 Ų236.8 Ų36.81%0.01118%0.184CC..Iπ-helixtrans-85.4-56.3-177.2-160.1-40.6000111.4F351 Q353 E357 S358 N359 V378 I497F351-D355 WeakPolarHBondContact O-CB 3.28Å; F351-D355 PolarHBondContact O-N 3.31Å; Q353-D355 VanDerWaalsContact C-N 3.33Å; Q353-D355 PolarHBondContact O-N 3.44Å; D355-E357 PolarHBondContact O-N 3.2Å; D355-S358 WeakPolarHBondContact O-CB 3.42Å; D355-S358 PolarHBondContact O-N 2.92Å; D355-S358 VanDerWaalsContact O-N 3.16Å; D355-N359 PolarHBondContact O-N 3.4Å; D355-V378 HydrophobicContact CB-CG2 3.73Å; D355-I497 HydrophobicContact CB-CD1 3.95Å; D355-I497 HydrophobicContact CB-CG1 4.08Å
356M98.9Very high98.3Very high70 Ų7040.4 Ų40.435%0.34520%0.201SC..Iπ-helixtrans-70.4-38.2-168.9-53.1167.960.100112.5Q352 S358 G360 I377 V378Q352-M356 HydrophobicContact CB-SD 4.11Å; Q352-M356 HydrophobicContact CG-SD 4.19Å; Q352-M356 WeakPolarHBondContact O-CB 3.39Å; Q352-M356 VanDerWaalsContact O-CG 3.22Å; Q352-M356 WeakPolarHBondContact O-CG 3.22Å; Q352-M356 PolarHBondContact O-N 2.93Å; M356-S358 VanDerWaalsContact C-N 3.3Å; M356-G360 VanDerWaalsContact O-CA 3.26Å; M356-G360 WeakPolarHBondContact O-CA 3.25Å; M356-G360 PolarHBondContact O-N 2.81Å; M356-I377 HydrophobicContact CE-CG2 4.34Å; M356-V378 HydrophobicContact CG-CB 4.27Å; M356-V378 HydrophobicContact CG-CG2 4.32Å; M356-V378 HydrophobicContact SD-CB 4.22Å
357E98.7Very high98.1Very high57 Ų5739.3 Ų39.327%0.26622%0.215SC..Iπ-helixtrans-73.1-26.3176.5-163.2-175.9-126.200111.5R272 Q353 D355 K361 Q511R272-E357 WeakPolarHBondContact CD-OE2 3.47Å; R272-E357 IonicContact CZ-OE2 3.86Å; R272-E357 IonicContact NE-OE2 3.4Å; R272-E357 IonicContact NH1-OE2 3.36Å; R272-E357 PolarHBondContact NH1-OE2 2.99Å; Q353-E357 HydrophobicContact CG-CB 4.25Å; Q353-E357 PolarHBondContact NE2-OE2 3.03Å; Q353-E357 WeakPolarHBondContact O-CB 3.43Å; Q353-E357 PolarHBondContact O-N 3.24Å; Q353-E357 VanDerWaalsContact O-N 3.14Å; D355-E357 PolarHBondContact O-N 3.2Å; E357-K361 VanDerWaalsContact O-CE 3.28Å; E357-K361 WeakPolarHBondContact O-CE 3.15Å; E357-K361 PolarHBondContact O-NZ 2.77Å; E357-Q511 HydrophobicContact CG-CB 4.03Å
358S98.8Very high98.1Very high0 Ų041.9 Ų41.90%024%0.236CC..Hα-helixtrans-73.8-55.6173.6-63.30000111.6R272 G354 D355 M356 K361 I497 S508R272-S358 WeakPolarHBondContact CD-OG 3.21Å; R272-S358 PolarHBondContact NE-OG 2.78Å; G354-S358 VanDerWaalsContact O-CB 3.22Å; G354-S358 WeakPolarHBondContact O-CB 3.39Å; G354-S358 PolarHBondContact O-OG 2.84Å; D355-S358 WeakPolarHBondContact O-CB 3.42Å; D355-S358 PolarHBondContact O-N 2.92Å; D355-S358 VanDerWaalsContact O-N 3.16Å; M356-S358 VanDerWaalsContact C-N 3.3Å; S358-K361 VanDerWaalsContact O-CE 3.31Å; S358-K361 WeakPolarHBondContact O-CE 3.41Å; S358-K361 VanDerWaalsContact O-CG 3.31Å; S358-K361 WeakPolarHBondContact O-CG 3.44Å; S358-K361 PolarHBondContact O-NZ 3.04Å; S358-I497 VanDerWaalsContact CB-CG2 3.49Å; S358-S508 VanDerWaalsContact CA-O 3.3Å; S358-S508 WeakPolarHBondContact CA-O 3.45Å; S358-S508 VanDerWaalsContact CB-O 3.23Å; S358-S508 WeakPolarHBondContact CB-O 3.38Å; S358-S508 WeakPolarHBondContact O-CA 3.43Å; S358-S508 PolarHBondContact OG-O 3.14Å
359N98.9Very high98Very high0 Ų050.9 Ų50.90%027%0.269CS..Hα-helixtrans-110.8-0.9-163.3-70.7-10.1000114.6D355 K361 T374 G375 I497 W504 I506 S508D355-N359 PolarHBondContact O-N 3.4Å; N359-K361 PolarHBondContact O-N 3.37Å; N359-T374 WeakPolarHBondContact O-CB 3.25Å; N359-T374 PolarHBondContact O-OG1 3.41Å; N359-G375 WeakPolarHBondContact O-CA 3.14Å; N359-G375 PolarHBondContact O-N 2.92Å; N359-I497 PolarHBondContact ND2-O 3.03Å; N359-W504 HydrophobicContact CB-CE3 4.3Å; N359-W504 HydrophobicContact CB-CZ3 3.82Å; N359-I506 HydrophobicContact CB-CD1 3.98Å; N359-S508 WeakPolarHBondContact OD1-CB 3.43Å; N359-S508 PolarHBondContact OD1-OG 2.89Å
360G98.7Very high98Very high52 Ų5251.4 Ų51.454%0.53627%0.271SS..  trans-71.560.6167.700000112M356M356-G360 VanDerWaalsContact O-CA 3.26Å; M356-G360 WeakPolarHBondContact O-CA 3.25Å; M356-G360 PolarHBondContact O-N 2.81Å
361K98.8Very high97.9Very high31 Ų3156.7 Ų56.714%0.13530%0.3CS..  trans-125.7157.2-172.4-53.5-64.3169.267.30110.5E357 S358 N359 T374 I506 N507 D510E357-K361 VanDerWaalsContact O-CE 3.28Å; E357-K361 WeakPolarHBondContact O-CE 3.15Å; E357-K361 PolarHBondContact O-NZ 2.77Å; S358-K361 VanDerWaalsContact O-CE 3.31Å; S358-K361 WeakPolarHBondContact O-CE 3.41Å; S358-K361 VanDerWaalsContact O-CG 3.31Å; S358-K361 WeakPolarHBondContact O-CG 3.44Å; S358-K361 PolarHBondContact O-NZ 3.04Å; N359-K361 PolarHBondContact O-N 3.37Å; K361-T374 WeakPolarHBondContact O-CG2 3.28Å; K361-T374 PolarHBondContact O-OG1 2.99Å; K361-I506 HydrophobicContact CB-CB 4Å; K361-I506 HydrophobicContact CB-CD1 3.91Å; K361-I506 HydrophobicContact CB-CG2 4.06Å; K361-I506 HydrophobicContact CG-CB 4.47Å; K361-I506 HydrophobicContact CG-CD1 4.1Å; K361-N507 PolarHBondContact NZ-O 2.91Å; K361-D510 PolarHBondContact NZ-O 3.21Å; K361-D510 IonicContact NZ-OD1 3.64Å; K361-D510 PolarHBondContact NZ-OD1 3.22Å
362Y98.6Very high97.9Very high144 Ų14457.9 Ų57.957%0.56531%0.305SS*.  trans-134.61.4-179.372.6-83.8000113.9R369 V370Y362-R369 HydrophobicContact CD2-CG 4.03Å; Y362-R369 CarbonylContact O-C 3.12Å; Y362-R369 WeakPolarHBondContact O-CA 3.24Å; Y362-V370 PolarHBondContact O-N 2.88Å
363I98.6Very high97.9Very high67 Ų6759 Ų5934%0.34431%0.31SS..BIsolated β-bridgetrans-116.4130.3178.3-59.5-60000108.8A368 R369I363-A368 WeakPolarHBondContact CA-O 3.45Å; I363-R369 HydrophobicContact CD1-CB 4.19Å
364T98.3Very high97.9Very high9 Ų958.8 Ų58.86%0.05531%0.31CS..BIsolated β-bridgetrans-81.3169.8177.768.90000111.9H366 G367 A368 V370 E505T364-H366 PolarHBondContact O-N 3.48Å; T364-H366 VanDerWaalsContact O-N 3.13Å; T364-H366 PolarHBondContact OG1-N 2.51Å; T364-G367 PolarHBondContact O-N 2.86Å; T364-A368 PolarHBondContact N-O 3.22Å; T364-A368 PolarHBondContact OG1-N 2.87Å; T364-A368 PolarHBondContact OG1-O 2.85Å; T364-V370 HydrophobicContact CG2-CG1 3.72Å; T364-E505 CarbonylContact C-O 3.45Å; T364-E505 WeakPolarHBondContact CA-O 3.48Å; T364-E505 WeakPolarHBondContact CB-O 3.39Å; T364-E505 HydrophobicContact CG2-CB 4.06Å
365N94.4Very high97.9Very high73 Ų7359.6 Ų59.639%0.3932%0.319SS..THydrogen-bonded Turntrans-59.6-16.7172.264.1-2.1000114.1F91 E505F91-N365 HydrophobicContact CD1-CB 4.28Å; F91-N365 HydrophobicContact CE1-CB 3.61Å; F91-N365 HydrophobicContact CE2-CB 4.05Å; F91-N365 HydrophobicContact CZ-CB 3.47Å; F91-N365 VanDerWaalsContact CZ-CB 3.47Å; N365-E505 PolarHBondContact N-O 3.38Å
366H93.2Very high97.9Very high132 Ų13260 Ų6061%0.61132%0.321SS*.THydrogen-bonded Turntrans-92.10.4173.5-58.9-53000113.2T364 A368T364-H366 PolarHBondContact O-N 3.48Å; T364-H366 VanDerWaalsContact O-N 3.13Å; T364-H366 PolarHBondContact OG1-N 2.51Å; H366-A368 VanDerWaalsContact C-N 3.26Å; H366-A368 PolarHBondContact O-N 3Å
367G96.1Very high97.9Very high57 Ų5760.8 Ų60.859%0.58833%0.327SS*.SBendtrans79.43-17800000114.5T364T364-G367 PolarHBondContact O-N 2.86Å
368A97.2Very high97.9Very high54 Ų5458.1 Ų58.145%0.44631%0.314SS..PPolyproline II helixtrans-82.6149.2176.800000111.1I363 T364 H366I363-A368 WeakPolarHBondContact CA-O 3.45Å; T364-A368 PolarHBondContact N-O 3.22Å; T364-A368 PolarHBondContact OG1-N 2.87Å; T364-A368 PolarHBondContact OG1-O 2.85Å; H366-A368 VanDerWaalsContact C-N 3.26Å; H366-A368 PolarHBondContact O-N 3Å
369R98.3Very high97.9Very high192 Ų19260.9 Ų60.973%0.72532%0.324SS*.BIsolated β-bridgetrans-75.3136.7170.6-179.4163.4-170.9-113.83.5110.3Y362 I363Y362-R369 HydrophobicContact CD2-CG 4.03Å; Y362-R369 CarbonylContact O-C 3.12Å; Y362-R369 WeakPolarHBondContact O-CA 3.24Å; I363-R369 HydrophobicContact CD1-CB 4.19Å
370V97.9Very high97.9Very high22 Ų2261.4 Ų61.413%0.13333%0.33CS..PPolyproline II helixtrans-64.9146.7175.1-57.90000111.3Y362 T364 Y372 T374 I506Y362-V370 PolarHBondContact O-N 2.88Å; T364-V370 HydrophobicContact CG2-CG1 3.72Å; V370-Y372 HydrophobicContact CB-CD1 4.38Å; V370-Y372 HydrophobicContact CB-CD2 4.07Å; V370-Y372 HydrophobicContact CB-CE1 4.12Å; V370-Y372 HydrophobicContact CB-CE2 3.8Å; V370-Y372 HydrophobicContact CB-CG 4.37Å; V370-Y372 HydrophobicContact CG1-CD2 4.36Å; V370-Y372 HydrophobicContact CG1-CE1 4.34Å; V370-Y372 HydrophobicContact CG1-CE2 3.62Å; V370-Y372 WeakPolarHBondContact CG2-O 3.34Å; V370-T374 HydrophobicContact CG1-CG2 4.31Å; V370-T374 HydrophobicContact CG2-CG2 4.27Å; V370-I506 HydrophobicContact CG1-CG2 4.38Å
371N97.1Very high97.9Very high119 Ų11963.6 Ų63.664%0.63633%0.326SS*.SBendtrans-11424.8170.967.4-20.3000112.1T4T4-N371 WeakPolarHBondContact CG2-OD1 3.36Å; T4-N371 PolarHBondContact OG1-ND2 2.84Å; T4-N371 PolarHBondContact OG1-OD1 3.48Å
372Y97.9Very high97.9Very high27 Ų2762.3 Ų62.311%0.10632%0.321CS..SBendtrans-141.4164.9-179.545.3-94.6000109.3L3 T4 V370 T374 W504L3-Y372 HydrophobicContact CB-CD1 4.23Å; L3-Y372 HydrophobicContact CB-CE1 3.74Å; L3-Y372 HydrophobicContact CB-CE2 4.41Å; L3-Y372 HydrophobicContact CD2-CD2 4.07Å; L3-Y372 HydrophobicContact CD2-CE2 4.1Å; L3-Y372 HydrophobicContact CD2-CG 4.29Å; T4-Y372 HydrophobicContact CG2-CD1 3.69Å; T4-Y372 HydrophobicContact CG2-CG 4.4Å; V370-Y372 HydrophobicContact CB-CD1 4.38Å; V370-Y372 HydrophobicContact CB-CD2 4.07Å; V370-Y372 HydrophobicContact CB-CE1 4.12Å; V370-Y372 HydrophobicContact CB-CE2 3.8Å; V370-Y372 HydrophobicContact CB-CG 4.37Å; V370-Y372 HydrophobicContact CG1-CD2 4.36Å; V370-Y372 HydrophobicContact CG1-CE1 4.34Å; V370-Y372 HydrophobicContact CG1-CE2 3.62Å; V370-Y372 WeakPolarHBondContact CG2-O 3.34Å; Y372-T374 HydrophobicContact CD2-CG2 4.34Å; Y372-T374 HydrophobicContact CE2-CG2 4.25Å; Y372-W504 AromaticContact CD2-CD1 3.84Å; Y372-W504 HydrophobicContact CE2-CB 3.98Å; Y372-W504 AromaticContact CE2-CD1 3.76Å; Y372-W504 HydrophobicContact CE2-CG 4.15Å; Y372-W504 PolarHBondContact OH-O 2.87Å
373H98.5Very high97.8Very high103 Ų10355.7 Ų55.748%0.47730%0.297SS..  trans-75.5148.4173.3-59.9-66.1000112I327 N328 H331 W504I327-H373 HydrophobicContact CG2-CB 3.66Å; N328-H373 PolarHBondContact ND2-O 3.02Å; H331-H373 AromaticContact ND1-CD2 3.65Å; H331-H373 AromaticContact ND1-NE2 3.77Å; H373-W504 PolarHBondContact O-NE1 2.9Å
374T98.8Very high97.8Very high21 Ų2154.4 Ų54.413%0.12929%0.292CS..  trans-117-140.4177.756.90000110.2I327 N359 K361 V370 Y372 W504 I506I327-T374 WeakPolarHBondContact CG2-O 3.4Å; N359-T374 WeakPolarHBondContact O-CB 3.25Å; N359-T374 PolarHBondContact O-OG1 3.41Å; K361-T374 WeakPolarHBondContact O-CG2 3.28Å; K361-T374 PolarHBondContact O-OG1 2.99Å; V370-T374 HydrophobicContact CG1-CG2 4.31Å; V370-T374 HydrophobicContact CG2-CG2 4.27Å; Y372-T374 HydrophobicContact CD2-CG2 4.34Å; Y372-T374 HydrophobicContact CE2-CG2 4.25Å; T374-W504 HydrophobicContact CG2-CB 4.29Å; T374-W504 HydrophobicContact CG2-CD2 4.31Å; T374-W504 HydrophobicContact CG2-CG 4.19Å; T374-W504 WeakPolarHBondContact O-CH2 3.45Å; T374-I506 HydrophobicContact CG2-CD1 4.47Å; T374-I506 HydrophobicContact CG2-CG2 4.36Å
375G98.6Very high97.8Very high20 Ų2058.7 Ų58.721%0.20632%0.315CS..SBendtrans-49.1135.3-175.600000113.9N359N359-G375 WeakPolarHBondContact O-CA 3.14Å; N359-G375 PolarHBondContact O-N 2.92Å
376P98.9Very high98Very high9 Ų955.2 Ų55.26%0.05830%0.296CS..  trans-79.4167.2-179.235.4-35.7000111.4I327 E333 H335 V378I327-P376 HydrophobicContact CD1-CB 4.08Å; I327-P376 HydrophobicContact CD1-CG 3.96Å; I327-P376 HydrophobicContact CG1-CB 4.39Å; E333-P376 WeakPolarHBondContact O-CA 3.48Å; H335-P376 HydrophobicContact CB-CB 4.13Å; H335-P376 HydrophobicContact CB-CG 3.81Å; P376-V378 HydrophobicContact CG-CG2 4.39Å; P376-V378 PolarHBondContact O-N 3.09Å
377I98.9Very high98.3Very high88 Ų8850.3 Ų50.345%0.45127%0.274SS..EExtended strand (participates in β ladder)trans-74.7115.7164-60.9169000108.4E333 T334 H335 M356E333-I377 PolarHBondContact O-N 3.17Å; T334-I377 CarbonylContact C-O 3.52Å; T334-I377 VanDerWaalsContact CA-O 3.22Å; T334-I377 WeakPolarHBondContact CA-O 3.16Å; T334-I377 WeakPolarHBondContact CB-O 3.5Å; T334-I377 HydrophobicContact CG2-CB 4.2Å; H335-I377 PolarHBondContact N-O 2.8Å; M356-I377 HydrophobicContact CE-CG2 4.34Å
378V98.9Very high98.4Very high1 Ų155.3 Ų55.31%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-89.6133.8176.4176.70000110.5H335 M337 T348 Q352 D355 M356 P376H335-V378 WeakPolarHBondContact O-CA 3.44Å; M337-V378 HydrophobicContact CG-CG1 4.31Å; M337-V378 HydrophobicContact SD-CG1 3.85Å; T348-V378 HydrophobicContact CG2-CG1 4.3Å; Q352-V378 HydrophobicContact CG-CB 4.26Å; Q352-V378 HydrophobicContact CG-CG1 4.24Å; Q352-V378 VanDerWaalsContact CG-O 3.22Å; Q352-V378 WeakPolarHBondContact CG-O 3.27Å; Q352-V378 PolarHBondContact NE2-O 2.89Å; D355-V378 HydrophobicContact CB-CG2 3.73Å; M356-V378 HydrophobicContact CG-CB 4.27Å; M356-V378 HydrophobicContact CG-CG2 4.32Å; M356-V378 HydrophobicContact SD-CB 4.22Å; P376-V378 HydrophobicContact CG-CG2 4.39Å; P376-V378 PolarHBondContact O-N 3.09Å
379W98.9Very high98.4Very high57 Ų5756.2 Ų56.222%0.21629%0.289CS..EExtended strand (participates in β ladder)trans-159.1166.6-179.568.7-77.7000112.4T334 H335 T336 M337 F390 I394 V401T334-W379 PolarHBondContact OG1-NE1 3.33Å; H335-W379 PolarHBondContact O-N 3.07Å; T336-W379 CarbonylContact C-O 3.34Å; T336-W379 WeakPolarHBondContact CA-O 3.39Å; T336-W379 WeakPolarHBondContact CB-O 3.49Å; T336-W379 PolarHBondContact OG1-O 3.47Å; M337-W379 PolarHBondContact N-O 3.49Å; W379-F390 HydrophobicContact CE3-CE2 4.43Å; W379-F390 HydrophobicContact CH2-CB 4.48Å; W379-F390 AromaticContact CH2-CD2 3.55Å; W379-F390 HydrophobicContact CH2-CD2 3.55Å; W379-F390 AromaticContact CH2-CE2 3.94Å; W379-F390 HydrophobicContact CH2-CE2 3.94Å; W379-F390 HydrophobicContact CH2-CG 4.1Å; W379-F390 HydrophobicContact CZ3-CB 4.25Å; W379-F390 HydrophobicContact CZ3-CD1 4.04Å; W379-F390 AromaticContact CZ3-CD2 3.34Å; W379-F390 HydrophobicContact CZ3-CD2 3.34Å; W379-F390 HydrophobicContact CZ3-CE1 4.19Å; W379-F390 AromaticContact CZ3-CE2 3.51Å; W379-F390 HydrophobicContact CZ3-CE2 3.51Å; W379-F390 AromaticContact CZ3-CG 3.62Å; W379-F390 HydrophobicContact CZ3-CG 3.62Å; W379-F390 AromaticContact CZ3-CZ 3.95Å; W379-F390 HydrophobicContact CZ3-CZ 3.95Å; W379-I394 HydrophobicContact CH2-CD1 4.1Å; W379-I394 HydrophobicContact CH2-CG1 4.25Å; W379-V401 HydrophobicContact CZ2-CG1 3.94Å
380G98.7Very high98.4Very high12 Ų1249 Ų4912%0.12426%0.263CS..  trans145.5168.2176.700000113
381E98.8Very high98.5Very high97 Ų9748.1 Ų48.145%0.45326%0.257SS..  trans-141.6160.1-179.5-76.7-65.8157.800109.2F390E381-F390 HydrophobicContact CB-CE1 3.87Å; E381-F390 HydrophobicContact CB-CZ 4.1Å; E381-F390 HydrophobicContact CG-CE1 4.11Å
382P98.7Very high98.5Very high4 Ų448.1 Ų48.13%0.02625%0.254CS..  trans-57.6144.4179.3-27.836.8000114.7P339 H345 N385 G386P339-P382 CarbonylContact O-C 3.31Å; P339-P382 WeakPolarHBondContact O-CA 3.26Å; P339-P382 WeakPolarHBondContact O-CB 3.48Å; H345-P382 HydrophobicContact CB-CG 3.79Å; P382-N385 PolarHBondContact O-N 3.47Å; P382-G386 PolarHBondContact O-N 3Å
383G97.6Very high98.6Very high6 Ų651 Ų516%0.06227%0.27CS..THydrogen-bonded Turntrans-74.2143.9164.200000110.7P339P339-G383 PolarHBondContact O-N 3.09Å
384T98.5Very high98.6Very high39 Ų3946.3 Ų46.324%0.23925%0.248CC..THydrogen-bonded Turncis-91.2-0.14.858.60000113.8Y340 G386 Q387 L424 N427Y340-T384 HydrophobicContact CD1-CG2 4.43Å; Y340-T384 HydrophobicContact CE1-CG2 4.11Å; T384-G386 VanDerWaalsContact C-N 3.29Å; T384-G386 PolarHBondContact O-N 2.92Å; T384-Q387 WeakPolarHBondContact O-CB 3.43Å; T384-Q387 WeakPolarHBondContact O-CG 3.31Å; T384-Q387 PolarHBondContact O-N 2.91Å; T384-L424 HydrophobicContact CG2-CD1 3.98Å; T384-N427 HydrophobicContact CG2-CB 3.63Å
385N98.4Very high98.6Very high99 Ų9946.1 Ų46.153%0.52925%0.246SC..G310 helixtrans-55.7-42.2-174.6-63.348.3000112.4P382 Q387 H388 A389P382-N385 PolarHBondContact O-N 3.47Å; N385-Q387 PolarHBondContact O-N 3.42Å; N385-Q387 VanDerWaalsContact O-N 3.15Å; N385-H388 PolarHBondContact O-N 3.13Å; N385-A389 PolarHBondContact O-N 3.02Å
386G98.2Very high98.6Very high0 Ų048.3 Ų48.30%025%0.251CS..G310 helixtrans-55.9-30.917600000114.2P382 T384 H388 A389 F390 Y391P382-G386 PolarHBondContact O-N 3Å; T384-G386 VanDerWaalsContact C-N 3.29Å; T384-G386 PolarHBondContact O-N 2.92Å; G386-H388 PolarHBondContact O-N 3.18Å; G386-A389 PolarHBondContact O-N 3.18Å; G386-A389 VanDerWaalsContact O-N 3.12Å; G386-F390 PolarHBondContact O-N 3.17Å; G386-Y391 WeakPolarHBondContact O-CD1 3.4Å; G386-Y391 PolarHBondContact O-N 3Å
387Q98.4Very high98.6Very high30 Ų3048.9 Ų48.914%0.1426%0.259CS..G310 helixtrans-61.1-31.6176.9-55.9179.913.900112.2Y340 T384 N385 Y391 N427 Q431Y340-Q387 PolarHBondContact OH-NE2 3.39Å; T384-Q387 WeakPolarHBondContact O-CB 3.43Å; T384-Q387 WeakPolarHBondContact O-CG 3.31Å; T384-Q387 PolarHBondContact O-N 2.91Å; N385-Q387 PolarHBondContact O-N 3.42Å; N385-Q387 VanDerWaalsContact O-N 3.15Å; Q387-Y391 HydrophobicContact CB-CD2 4.25Å; Q387-Y391 HydrophobicContact CB-CG 4.42Å; Q387-Y391 HydrophobicContact CG-CD2 3.77Å; Q387-Y391 HydrophobicContact CG-CE2 3.67Å; Q387-Y391 HydrophobicContact CG-CG 4.34Å; Q387-N427 PolarHBondContact OE1-OD1 2.94Å; Q387-Q431 VanDerWaalsContact CD-NE2 3.27Å; Q387-Q431 HydrophobicContact CG-CG 4.07Å; Q387-Q431 VanDerWaalsContact NE2-CG 3.25Å
388H98.3Very high98.5Very high162 Ų16250.6 Ų50.675%0.7527%0.273SS*.G310 helixtrans-10013.2-179.2-59.6-84.3000113N385 G386N385-H388 PolarHBondContact O-N 3.13Å; G386-H388 PolarHBondContact O-N 3.18Å
389A98.5Very high98.5Very high73 Ų7358.3 Ų58.360%0.60330%0.302SS*.THydrogen-bonded Turntrans-126.1-66.4-179.900000111.8N385 G386N385-A389 PolarHBondContact O-N 3.02Å; G386-A389 PolarHBondContact O-N 3.18Å; G386-A389 VanDerWaalsContact O-N 3.12Å
390F98.6Very high98.4Very high39 Ų3958.7 Ų58.717%0.17131%0.307CS..THydrogen-bonded Turntrans-126.7-5-168.853.7-105.3000114.5L338 W379 E381 G386 Q392 L393 I394L338-F390 HydrophobicContact CD2-CE2 3.86Å; L338-F390 HydrophobicContact CD2-CZ 3.9Å; W379-F390 HydrophobicContact CE3-CE2 4.43Å; W379-F390 HydrophobicContact CH2-CB 4.48Å; W379-F390 AromaticContact CH2-CD2 3.55Å; W379-F390 HydrophobicContact CH2-CD2 3.55Å; W379-F390 AromaticContact CH2-CE2 3.94Å; W379-F390 HydrophobicContact CH2-CE2 3.94Å; W379-F390 HydrophobicContact CH2-CG 4.1Å; W379-F390 HydrophobicContact CZ3-CB 4.25Å; W379-F390 HydrophobicContact CZ3-CD1 4.04Å; W379-F390 AromaticContact CZ3-CD2 3.34Å; W379-F390 HydrophobicContact CZ3-CD2 3.34Å; W379-F390 HydrophobicContact CZ3-CE1 4.19Å; W379-F390 AromaticContact CZ3-CE2 3.51Å; W379-F390 HydrophobicContact CZ3-CE2 3.51Å; W379-F390 AromaticContact CZ3-CG 3.62Å; W379-F390 HydrophobicContact CZ3-CG 3.62Å; W379-F390 AromaticContact CZ3-CZ 3.95Å; W379-F390 HydrophobicContact CZ3-CZ 3.95Å; E381-F390 HydrophobicContact CB-CE1 3.87Å; E381-F390 HydrophobicContact CB-CZ 4.1Å; E381-F390 HydrophobicContact CG-CE1 4.11Å; G386-F390 PolarHBondContact O-N 3.17Å; F390-Q392 PolarHBondContact O-N 2.64Å; F390-L393 WeakPolarHBondContact O-CB 3.49Å; F390-L393 PolarHBondContact O-N 2.65Å; F390-I394 HydrophobicContact CD2-CD1 3.79Å; F390-I394 HydrophobicContact CD2-CG1 4.4Å; F390-I394 HydrophobicContact CE2-CD1 3.97Å; F390-I394 PolarHBondContact O-N 3.25Å
391Y98.7Very high98.4Very high4 Ų458.5 Ų58.52%0.01630%0.304CS..Hα-helixtrans-64.3-21.7177.9-81.839.5000112.6L338 Y340 G386 Q387 L393 I394 H395 F405 Q431L338-Y391 HydrophobicContact CD1-CE1 4.01Å; L338-Y391 WeakPolarHBondContact CD1-OH 3.39Å; L338-Y391 HydrophobicContact CD2-CE1 3.98Å; Y340-Y391 PolarHBondContact OH-OH 2.8Å; G386-Y391 WeakPolarHBondContact O-CD1 3.4Å; G386-Y391 PolarHBondContact O-N 3Å; Q387-Y391 HydrophobicContact CB-CD2 4.25Å; Q387-Y391 HydrophobicContact CB-CG 4.42Å; Q387-Y391 HydrophobicContact CG-CD2 3.77Å; Q387-Y391 HydrophobicContact CG-CE2 3.67Å; Q387-Y391 HydrophobicContact CG-CG 4.34Å; Y391-L393 VanDerWaalsContact C-N 3.27Å; Y391-L393 PolarHBondContact O-N 3.22Å; Y391-I394 HydrophobicContact CD1-CD1 3.89Å; Y391-I394 HydrophobicContact CE1-CD1 4.25Å; Y391-I394 HydrophobicContact CG-CD1 4.39Å; Y391-I394 PolarHBondContact O-N 3.49Å; Y391-I394 VanDerWaalsContact O-N 3.16Å; Y391-H395 WeakPolarHBondContact O-CB 3.46Å; Y391-H395 PolarHBondContact O-CD2 2.87Å; Y391-H395 VanDerWaalsContact O-CD2 3.31Å; Y391-H395 PolarHBondContact O-N 3.09Å; Y391-F405 HydrophobicContact CE2-CE1 4.1Å; Y391-F405 AromaticContact CE2-CZ 3.96Å; Y391-F405 HydrophobicContact CE2-CZ 3.96Å; Y391-Q431 HydrophobicContact CD2-CG 4.32Å; Y391-Q431 HydrophobicContact CE2-CB 4.23Å; Y391-Q431 HydrophobicContact CE2-CG 3.95Å
392Q98.7Very high98.4Very high120 Ų12054.2 Ų54.256%0.56129%0.285SS*.Hα-helixtrans-52.3-47.3168174.858.843.900111.4F390 H395 Q396F390-Q392 PolarHBondContact O-N 2.64Å; Q392-H395 PolarHBondContact O-N 3.47Å; Q392-Q396 PolarHBondContact O-N 3.22Å
393L98.8Very high98.5Very high88 Ų8854.1 Ų54.146%0.46128%0.284SS..Hα-helixtrans-67.9-41177.2-177.3151.4000111F390 Y391 H395 G397F390-L393 WeakPolarHBondContact O-CB 3.49Å; F390-L393 PolarHBondContact O-N 2.65Å; Y391-L393 VanDerWaalsContact C-N 3.27Å; Y391-L393 PolarHBondContact O-N 3.22Å; L393-H395 VanDerWaalsContact C-N 3.32Å; L393-H395 PolarHBondContact O-N 3.34Å; L393-G397 WeakPolarHBondContact O-CA 3.44Å; L393-G397 PolarHBondContact O-N 2.89Å
394I98.6Very high98.5Very high3 Ų353.9 Ų53.92%0.01528%0.281CS..Hα-helixtrans-61.1-44.1178.4-56.8179.7000110.1W379 F390 Y391 L435 R471W379-I394 HydrophobicContact CH2-CD1 4.1Å; W379-I394 HydrophobicContact CH2-CG1 4.25Å; F390-I394 HydrophobicContact CD2-CD1 3.79Å; F390-I394 HydrophobicContact CD2-CG1 4.4Å; F390-I394 HydrophobicContact CE2-CD1 3.97Å; F390-I394 PolarHBondContact O-N 3.25Å; Y391-I394 HydrophobicContact CD1-CD1 3.89Å; Y391-I394 HydrophobicContact CE1-CD1 4.25Å; Y391-I394 HydrophobicContact CG-CD1 4.39Å; Y391-I394 PolarHBondContact O-N 3.49Å; Y391-I394 VanDerWaalsContact O-N 3.16Å; I394-L435 HydrophobicContact CG2-CD1 4.49Å; I394-L435 HydrophobicContact CG2-CD2 3.68Å; I394-R471 WeakPolarHBondContact O-CD 3.3Å; I394-R471 PolarHBondContact O-NE 2.71Å
395H98.8Very high98.5Very high18 Ų1852 Ų528%0.08327%0.27CS..Hα-helixtrans-78.3-39.7-176.1-84.8-70.9000115Y391 Q392 L393 Q431 L435 F467 R471Y391-H395 WeakPolarHBondContact O-CB 3.46Å; Y391-H395 PolarHBondContact O-CD2 2.87Å; Y391-H395 VanDerWaalsContact O-CD2 3.31Å; Y391-H395 PolarHBondContact O-N 3.09Å; Q392-H395 PolarHBondContact O-N 3.47Å; L393-H395 VanDerWaalsContact C-N 3.32Å; L393-H395 PolarHBondContact O-N 3.34Å; H395-Q431 PolarHBondContact NE2-OE1 2.9Å; H395-L435 VanDerWaalsContact CE1-CD2 3.45Å; H395-L435 WeakPolarHBondContact CE1-CD2 3.12Å; H395-F467 HydrophobicContact CB-CD1 3.9Å; H395-F467 HydrophobicContact CB-CE1 3.84Å; H395-R471 PolarHBondContact O-NE 2.9Å; H395-R471 PolarHBondContact O-NH2 2.99Å
396Q98.6Very high98.6Very high66 Ų6647.3 Ų47.331%0.30825%0.245SC..Hα-helixtrans-128.61.2-171.3-66.4-172.8-56.700113.8Q392 H464 V466 F467Q392-Q396 PolarHBondContact O-N 3.22Å; Q396-H464 PolarHBondContact NE2-O 2.94Å; Q396-V466 PolarHBondContact NE2-O 3.44Å; Q396-F467 HydrophobicContact CG-CD1 3.98Å; Q396-F467 HydrophobicContact CG-CE1 3.91Å; Q396-F467 HydrophobicContact CG-CZ 4.39Å
397G98.3Very high98.6Very high21 Ų2147.4 Ų47.422%0.21625%0.245CC..SBendtrans-75.6178.9172.800000113L393 R471L393-G397 WeakPolarHBondContact O-CA 3.44Å; L393-G397 PolarHBondContact O-N 2.89Å; G397-R471 PolarHBondContact O-NH2 3.35Å
398T98.3Very high98.6Very high124 Ų12446 Ų4676%0.76124%0.239SC*.SBendtrans-101.823.2-173.457.20000113
399R98.1Very high98.6Very high162 Ų16240.6 Ų40.661%0.61122%0.222SC*.  trans-121.2136.7-178.6-63.4-65-178.9-97.23.8109.9V401R399-V401 HydrophobicContact CB-CG2 4.14Å
400M98.1Very high98.7Very high65 Ų6541.5 Ų41.532%0.3221%0.214SC..  trans-82.1122.8165.9-178.6170.9-70.300108.4L58 Y326 F330L58-M400 HydrophobicContact CD1-CE 3.93Å; L58-M400 HydrophobicContact CD1-SD 4.48Å; Y326-M400 HydrophobicContact CD1-SD 4.15Å; Y326-M400 HydrophobicContact CE1-SD 4.46Å; F330-M400 HydrophobicContact CB-SD 3.68Å; F330-M400 HydrophobicContact CD1-CE 3.47Å; F330-M400 VanDerWaalsContact CD1-CE 3.47Å; F330-M400 HydrophobicContact CD1-SD 3.43Å; F330-M400 WeakPolarHBondContact CD1-SD 3.46Å; F330-M400 HydrophobicContact CE1-CE 3.81Å; F330-M400 HydrophobicContact CE1-SD 4.22Å; F330-M400 HydrophobicContact CG-CE 4.34Å; F330-M400 HydrophobicContact CG-SD 3.69Å
401V98.6Very high98.7Very high8 Ų841.1 Ų41.15%0.04822%0.215CC..  trans-128.995.3-177.2-175.70000108.5T336 W379 R399 A403T336-V401 HydrophobicContact CG2-CG1 3.68Å; W379-V401 HydrophobicContact CZ2-CG1 3.94Å; R399-V401 HydrophobicContact CB-CG2 4.14Å; V401-A403 PolarHBondContact O-N 3.41Å
402P98.8Very high98.6Very high8 Ų842.5 Ų42.55%0.05222%0.222CC..  trans-56.7134.6165.9-21.532.6000110.3Y326 A332 T334 T336Y326-P402 HydrophobicContact CD1-CG 4.06Å; Y326-P402 HydrophobicContact CD2-CB 3.82Å; Y326-P402 HydrophobicContact CD2-CG 3.67Å; Y326-P402 HydrophobicContact CE2-CB 4.37Å; Y326-P402 HydrophobicContact CE2-CG 4.47Å; Y326-P402 HydrophobicContact CG-CB 4.15Å; Y326-P402 HydrophobicContact CG-CG 3.45Å; Y326-P402 VanDerWaalsContact CG-CG 3.45Å; A332-P402 HydrophobicContact CB-CG 3.9Å; T334-P402 WeakPolarHBondContact O-CD 3.4Å; T336-P402 PolarHBondContact N-O 2.89Å
403A98.9Very high98.6Very high2 Ų241.3 Ų41.32%0.01722%0.216CC..EExtended strand (participates in β ladder)trans-135.2129.1-171.400000112.4T336 L338 V401 F405 P472 T473 N474T336-A403 HydrophobicContact CG2-CB 3.31Å; T336-A403 WeakPolarHBondContact O-CA 3.29Å; L338-A403 HydrophobicContact CD1-CB 4.12Å; V401-A403 PolarHBondContact O-N 3.41Å; A403-F405 HydrophobicContact CB-CD2 4.13Å; A403-F405 HydrophobicContact CB-CE2 3.77Å; A403-P472 PolarHBondContact N-O 3.37Å; A403-T473 HydrophobicContact CB-CG2 4.22Å; A403-T473 CarbonylContact O-C 3.58Å; A403-T473 VanDerWaalsContact O-CA 3.28Å; A403-T473 WeakPolarHBondContact O-CA 3.26Å; A403-N474 PolarHBondContact O-N 3.2Å
404D98.9Very high98.6Very high0 Ų041 Ų410%022%0.219CC..EExtended strand (participates in β ladder)trans-96.7115.8169.5-65.6-17.4000109.3H335 T336 L338 L406 N474 Y493H335-D404 IonicContact CE1-OD1 3.95Å; H335-D404 PolarHBondContact CE1-OD1 3.2Å; H335-D404 IonicContact CE1-OD2 2.73Å; H335-D404 PolarHBondContact CE1-OD2 3.42Å; H335-D404 VanDerWaalsContact NE2-CG 3.27Å; H335-D404 IonicContact NE2-OD1 3.96Å; H335-D404 IonicContact NE2-OD2 2.65Å; H335-D404 PolarHBondContact NE2-OD2 3.37Å; T336-D404 PolarHBondContact O-N 3.28Å; L338-D404 PolarHBondContact N-O 3.06Å; D404-L406 HydrophobicContact CB-CD1 4.16Å; D404-L406 WeakPolarHBondContact O-CD1 3.34Å; D404-N474 WeakPolarHBondContact OD1-CB 3.32Å; D404-N474 PolarHBondContact OD1-ND2 2.66Å; D404-Y493 WeakPolarHBondContact CB-OH 3.27Å; D404-Y493 VanDerWaalsContact CG-OH 3.25Å; D404-Y493 VanDerWaalsContact OD2-CE1 3.28Å; D404-Y493 WeakPolarHBondContact OD2-CE1 3.36Å; D404-Y493 PolarHBondContact OD2-OH 3.5Å
405F98.9Very high98.6Very high1 Ų145.1 Ų45.10%0.00424%0.241CC..EExtended strand (participates in β ladder)trans-96126.6172.2-77.9-115.2000108.6L338 Y340 Y391 A403 F428 Q431 T432 L435 T473 N474 I476L338-F405 HydrophobicContact CD1-CD2 4.18Å; L338-F405 HydrophobicContact CD1-CE1 4.4Å; L338-F405 HydrophobicContact CD1-CE2 3.61Å; L338-F405 HydrophobicContact CD1-CZ 3.73Å; Y340-F405 HydrophobicContact CD2-CD1 4.05Å; Y340-F405 AromaticContact CE2-CD1 3.32Å; Y340-F405 HydrophobicContact CE2-CD1 3.32Å; Y340-F405 AromaticContact CE2-CE1 3.54Å; Y340-F405 HydrophobicContact CE2-CE1 3.54Å; Y340-F405 HydrophobicContact CE2-CG 4.41Å; Y340-F405 AromaticContact CZ-CD1 3.91Å; Y340-F405 AromaticContact CZ-CE1 3.78Å; Y340-F405 WeakPolarHBondContact OH-CE1 3.46Å; Y391-F405 HydrophobicContact CE2-CE1 4.1Å; Y391-F405 AromaticContact CE2-CZ 3.96Å; Y391-F405 HydrophobicContact CE2-CZ 3.96Å; A403-F405 HydrophobicContact CB-CD2 4.13Å; A403-F405 HydrophobicContact CB-CE2 3.77Å; F405-F428 HydrophobicContact CB-CD2 4.11Å; F405-F428 HydrophobicContact CB-CE2 3.5Å; F405-F428 VanDerWaalsContact CB-CE2 3.5Å; F405-F428 HydrophobicContact CB-CZ 4Å; F405-F428 HydrophobicContact CD1-CD2 4.31Å; F405-Q431 HydrophobicContact CE1-CB 3.72Å; F405-Q431 HydrophobicContact CZ-CB 4.17Å; F405-T432 HydrophobicContact CB-CG2 4.01Å; F405-T432 HydrophobicContact CD1-CG2 3.66Å; F405-T432 HydrophobicContact CD2-CG2 3.7Å; F405-T432 HydrophobicContact CE1-CG2 3.98Å; F405-T432 HydrophobicContact CE2-CG2 4.03Å; F405-T432 HydrophobicContact CG-CG2 3.52Å; F405-T432 HydrophobicContact CZ-CG2 4.18Å; F405-L435 HydrophobicContact CE2-CD1 3.97Å; F405-L435 HydrophobicContact CZ-CD1 3.88Å; F405-T473 HydrophobicContact CD2-CG2 4.04Å; F405-T473 HydrophobicContact CE2-CG2 3.73Å; F405-N474 PolarHBondContact N-O 2.8Å; F405-I476 PolarHBondContact O-N 2.93Å
406L98.9Very high98.6Very high0 Ų052.5 Ų52.50%027%0.268CS..EExtended strand (participates in β ladder)trans-122.2135.2-178-55.895.4000110.9L338 P339 Y340 M344 F347 D404 I476 F478 Y493L338-L406 PolarHBondContact O-N 2.95Å; P339-L406 CarbonylContact C-O 3.25Å; P339-L406 WeakPolarHBondContact CA-O 3.42Å; P339-L406 HydrophobicContact CB-CB 4.46Å; Y340-L406 PolarHBondContact N-O 3.44Å; M344-L406 HydrophobicContact CE-CD2 4.45Å; F347-L406 HydrophobicContact CE1-CD2 3.94Å; F347-L406 HydrophobicContact CZ-CD2 4.37Å; D404-L406 HydrophobicContact CB-CD1 4.16Å; D404-L406 WeakPolarHBondContact O-CD1 3.34Å; L406-I476 WeakPolarHBondContact CA-O 3.48Å; L406-I476 HydrophobicContact CD2-CB 4.38Å; L406-I476 HydrophobicContact CD2-CD1 4.12Å; L406-I476 HydrophobicContact CD2-CG2 4.46Å; L406-I476 HydrophobicContact CG-CB 4.17Å; L406-I476 HydrophobicContact CG-CD1 4.25Å; L406-F478 HydrophobicContact CB-CE1 4.2Å; L406-Y493 HydrophobicContact CD2-CE2 4.15Å
407I98.9Very high98.5Very high1 Ų156.5 Ų56.51%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-153.6138.7177-164.7165.9000112.7Y340 L424 L425 F428 I476 I477 F478Y340-I407 HydrophobicContact CG-CD1 4.49Å; I407-L424 HydrophobicContact CD1-CD2 4.4Å; I407-L424 HydrophobicContact CD1-CG 4.06Å; I407-L425 HydrophobicContact CD1-CD2 3.68Å; I407-L425 HydrophobicContact CD1-CG 4.19Å; I407-L425 HydrophobicContact CG1-CD2 4.27Å; I407-L425 HydrophobicContact CG2-CD2 4.48Å; I407-F428 HydrophobicContact CB-CD2 3.61Å; I407-F428 HydrophobicContact CB-CE2 3.64Å; I407-F428 HydrophobicContact CB-CG 4.16Å; I407-F428 HydrophobicContact CB-CZ 4.28Å; I407-F428 HydrophobicContact CD1-CB 3.74Å; I407-F428 HydrophobicContact CD1-CD2 4.07Å; I407-F428 HydrophobicContact CD1-CG 3.94Å; I407-F428 HydrophobicContact CG1-CD2 4.42Å; I407-F428 HydrophobicContact CG2-CD1 3.86Å; I407-F428 HydrophobicContact CG2-CD2 3.59Å; I407-F428 HydrophobicContact CG2-CE1 3.74Å; I407-F428 HydrophobicContact CG2-CE2 3.38Å; I407-F428 HydrophobicContact CG2-CG 3.81Å; I407-F428 HydrophobicContact CG2-CZ 3.5Å; I407-F428 VanDerWaalsContact CG2-CZ 3.5Å; I407-I476 PolarHBondContact N-O 2.91Å; I407-I477 HydrophobicContact CG2-CG1 3.96Å; I407-I477 HydrophobicContact CG2-CG2 4.39Å; I407-I477 WeakPolarHBondContact O-CA 3.49Å; I407-F478 PolarHBondContact O-N 2.98Å; I407-F478 VanDerWaalsContact O-N 3.13Å
408P98.9Very high98.5Very high2 Ų257.7 Ų57.71%0.01329%0.293CS..EExtended strand (participates in β ladder)trans-73.913916428.3-31.7000111Q410 H421 F478P408-Q410 PolarHBondContact O-N 3.26Å; P408-H421 PolarHBondContact O-CE1 3.2Å; P408-H421 PolarHBondContact O-NE2 3.38Å; P408-H421 VanDerWaalsContact O-NE2 3.07Å; P408-F478 CarbonylContact C-O 3.6Å; P408-F478 VanDerWaalsContact CA-O 3.22Å; P408-F478 WeakPolarHBondContact CA-O 3.4Å; P408-F478 HydrophobicContact CB-CD2 3.96Å; P408-F478 HydrophobicContact CB-CE2 3.6Å; P408-F478 HydrophobicContact CB-CZ 4.43Å; P408-F478 HydrophobicContact CG-CE2 4.18Å
409A98.7Very high98.5Very high47 Ų4754.9 Ų54.939%0.38827%0.273SS..EExtended strand (participates in β ladder)trans-71.3-21.6171.600000112.6H421 I477 F478 K479A409-H421 PolarHBondContact O-NE2 3.41Å; A409-I477 HydrophobicContact CB-CG2 4.4Å; A409-F478 PolarHBondContact N-O 3.5Å; A409-K479 PolarHBondContact N-O 3.22Å
410Q98.8Very high98.6Very high93 Ų9351.7 Ų51.744%0.43527%0.265SS..EExtended strand (participates in β ladder)trans-121.6120.2177.5-60.4179.8-2.700110.8P408 K479 K480P408-Q410 PolarHBondContact O-N 3.26Å; Q410-K479 VanDerWaalsContact CB-O 3.32Å; Q410-K479 WeakPolarHBondContact CB-O 3.49Å; Q410-K479 WeakPolarHBondContact CG-O 3.34Å; Q410-K479 PolarHBondContact N-O 3.1Å; Q410-K480 HydrophobicContact CB-CB 4.22Å; Q410-K480 HydrophobicContact CB-CD 4.28Å; Q410-K480 HydrophobicContact CB-CG 4.28Å
411S98.6Very high98.6Very high30 Ų3049 Ų4921%0.2125%0.251CS..  trans-65.3147.4171.5-175.20000111.9H413 H421S411-H413 VanDerWaalsContact OG-C 3.29Å; S411-H413 PolarHBondContact OG-N 3.2Å; S411-H413 PolarHBondContact OG-O 2.9Å; S411-H413 VanDerWaalsContact OG-O 3.05Å; S411-H421 PolarHBondContact N-NE2 3.48Å
412Q98.6Very high98.6Very high34 Ų3454.7 Ų54.716%0.15928%0.275CS..SBendtrans-69.3-24.5164.7-63.7-729.900111.7P172 Y173 Y343 L481P172-Q412 HydrophobicContact CB-CB 4.43Å; P172-Q412 HydrophobicContact CB-CG 4.44Å; P172-Q412 HydrophobicContact CG-CB 3.92Å; P172-Q412 HydrophobicContact CG-CG 3.87Å; Y173-Q412 VanDerWaalsContact CE2-NE2 3.34Å; Y173-Q412 PolarHBondContact OH-NE2 3.02Å; Y343-Q412 HydrophobicContact CE2-CB 4.29Å; Q412-L481 PolarHBondContact NE2-O 3.27Å
413H98.5Very high98.6Very high94 Ų9458.7 Ų58.744%0.43530%0.295SS..  trans-128.484.6-176.2-60.5-72.1000110.6Y343 S411 I415Y343-H413 AromaticContact CE2-CD2 3.8Å; Y343-H413 AromaticContact CE2-NE2 3.56Å; Y343-H413 AromaticContact CZ-NE2 3.6Å; Y343-H413 PolarHBondContact OH-NE2 2.91Å; S411-H413 VanDerWaalsContact OG-C 3.29Å; S411-H413 PolarHBondContact OG-N 3.2Å; S411-H413 PolarHBondContact OG-O 2.9Å; S411-H413 VanDerWaalsContact OG-O 3.05Å; H413-I415 HydrophobicContact CB-CG2 4.4Å; H413-I415 PolarHBondContact O-N 3.3Å
414P98.2Very high98.6Very high81 Ų8160.3 Ų60.353%0.52630%0.304SS..  trans-78.850.7-178.933.8-36.8000112.3N418P414-N418 HydrophobicContact CB-CB 4.27Å; P414-N418 PolarHBondContact O-N 2.93Å
415I98.5Very high98.6Very high90 Ų9062.5 Ų62.546%0.46232%0.315SS..THydrogen-bonded Turntrans-65.2152.1-176.861.2169.3000112.3H413 D417 N418 L419 H420H413-I415 HydrophobicContact CB-CG2 4.4Å; H413-I415 PolarHBondContact O-N 3.3Å; I415-D417 PolarHBondContact O-N 3.29Å; I415-N418 WeakPolarHBondContact O-CA 3.47Å; I415-N418 PolarHBondContact O-N 3.34Å; I415-N418 VanDerWaalsContact O-N 3.13Å; I415-L419 PolarHBondContact O-N 3.42Å; I415-H420 HydrophobicContact CG1-CB 4.23Å
416R98.3Very high98.6Very high173 Ų17365.1 Ų65.165%0.65334%0.337SS*.THydrogen-bonded Turntrans50.852.3-179.3-58.6-174.163.9-160.4-1.7112N418 L419R416-N418 PolarHBondContact O-N 2.93Å; R416-L419 HydrophobicContact CB-CB 4.14Å; R416-L419 WeakPolarHBondContact O-CB 2.99Å; R416-L419 PolarHBondContact O-N 2.82Å
417D97.3Very high98.6Very high151 Ų15167.4 Ų67.481%0.80735%0.349SS*.THydrogen-bonded Turntrans52.343.9-177.3-54.3-38.7000112.9I415 L419I415-D417 PolarHBondContact O-N 3.29Å; D417-L419 PolarHBondContact O-N 3.49Å
418N98Very high98.6Very high46 Ų4667.4 Ų67.425%0.24635%0.349CS..THydrogen-bonded Turntrans61.916.5-178.5-152.837.5000114.9P414 I415 R416 H420 H421 K422P414-N418 HydrophobicContact CB-CB 4.27Å; P414-N418 PolarHBondContact O-N 2.93Å; I415-N418 WeakPolarHBondContact O-CA 3.47Å; I415-N418 PolarHBondContact O-N 3.34Å; I415-N418 VanDerWaalsContact O-N 3.13Å; R416-N418 PolarHBondContact O-N 2.93Å; N418-H420 VanDerWaalsContact C-N 3.32Å; N418-H420 PolarHBondContact O-N 2.87Å; N418-H421 PolarHBondContact O-N 3.14Å; N418-H421 WeakPolarHBondContact OD1-CB 3.37Å; N418-K422 WeakPolarHBondContact O-CG 3.44Å; N418-K422 PolarHBondContact O-N 3.37Å
419L98.8Very high98.6Very high64 Ų6471.8 Ų71.834%0.33537%0.372SS..Hα-helixtrans-56-44.5-178.417662.8000112.4I415 R416 D417 H421 K422 I423I415-L419 PolarHBondContact O-N 3.42Å; R416-L419 HydrophobicContact CB-CB 4.14Å; R416-L419 WeakPolarHBondContact O-CB 2.99Å; R416-L419 PolarHBondContact O-N 2.82Å; D417-L419 PolarHBondContact O-N 3.49Å; L419-H421 VanDerWaalsContact C-N 3.31Å; L419-H421 PolarHBondContact O-N 2.93Å; L419-K422 PolarHBondContact O-N 3.26Å; L419-I423 HydrophobicContact CD1-CD1 4Å; L419-I423 HydrophobicContact CD1-CG1 4.3Å; L419-I423 HydrophobicContact CG-CD1 4.02Å; L419-I423 WeakPolarHBondContact O-CG1 3.41Å; L419-I423 PolarHBondContact O-N 2.82Å
420H98.8Very high98.6Very high96 Ų9671.8 Ų71.844%0.44437%0.372SS..Hα-helixtrans-59.4-44.3179.7-78.1-112.1000111.5I415 N418 I423 L424I415-H420 HydrophobicContact CG1-CB 4.23Å; N418-H420 VanDerWaalsContact C-N 3.32Å; N418-H420 PolarHBondContact O-N 2.87Å; H420-I423 PolarHBondContact O-N 3.26Å; H420-L424 WeakPolarHBondContact O-CB 3.18Å; H420-L424 PolarHBondContact O-N 3.4Å
421H98.8Very high98.6Very high7 Ų768.8 Ų68.83%0.03236%0.358CS..Hα-helixtrans-72-34-179.8-16258.7000112.3P408 A409 S411 N418 L419 I423 L424 L425P408-H421 PolarHBondContact O-CE1 3.2Å; P408-H421 PolarHBondContact O-NE2 3.38Å; P408-H421 VanDerWaalsContact O-NE2 3.07Å; A409-H421 PolarHBondContact O-NE2 3.41Å; S411-H421 PolarHBondContact N-NE2 3.48Å; N418-H421 PolarHBondContact O-N 3.14Å; N418-H421 WeakPolarHBondContact OD1-CB 3.37Å; L419-H421 VanDerWaalsContact C-N 3.31Å; L419-H421 PolarHBondContact O-N 2.93Å; H421-I423 VanDerWaalsContact C-N 3.35Å; H421-I423 PolarHBondContact O-N 2.96Å; H421-L424 WeakPolarHBondContact O-CB 3.27Å; H421-L424 PolarHBondContact O-N 3.42Å; H421-L425 WeakPolarHBondContact O-CB 3.32Å; H421-L425 VanDerWaalsContact O-CG 3.28Å; H421-L425 WeakPolarHBondContact O-CG 3.41Å; H421-L425 PolarHBondContact O-N 3.2Å
422K98.8Very high98.6Very high128 Ų12867.4 Ų67.456%0.55735%0.348SS*.Hα-helixtrans-59.4-44.9171.4-71.4173.6-177.61690111.6N418 L419 L424 L425 A426N418-K422 WeakPolarHBondContact O-CG 3.44Å; N418-K422 PolarHBondContact O-N 3.37Å; L419-K422 PolarHBondContact O-N 3.26Å; K422-L424 VanDerWaalsContact C-N 3.35Å; K422-L425 PolarHBondContact O-N 3.05Å; K422-A426 WeakPolarHBondContact O-CB 3.22Å; K422-A426 PolarHBondContact O-N 3.18Å
423I98.9Very high98.6Very high92 Ų9270 Ų7047%0.47236%0.36SS..Hα-helixtrans-65.1-40.3176.5-66.2168000110.8L419 H420 H421 A426 N427L419-I423 HydrophobicContact CD1-CD1 4Å; L419-I423 HydrophobicContact CD1-CG1 4.3Å; L419-I423 HydrophobicContact CG-CD1 4.02Å; L419-I423 WeakPolarHBondContact O-CG1 3.41Å; L419-I423 PolarHBondContact O-N 2.82Å; H420-I423 PolarHBondContact O-N 3.26Å; H421-I423 VanDerWaalsContact C-N 3.35Å; H421-I423 PolarHBondContact O-N 2.96Å; I423-A426 PolarHBondContact O-N 3.02Å; I423-N427 PolarHBondContact O-N 3.22Å; I423-N427 PolarHBondContact O-ND2 3.02Å
424L98.9Very high98.6Very high37 Ų3767.4 Ų67.419%0.19436%0.355CS..Hα-helixtrans-62.3-46.9176.9-173.665000111.9Y340 T384 I407 H420 H421 K422 N427 F428Y340-L424 HydrophobicContact CD1-CD1 3.79Å; Y340-L424 HydrophobicContact CD1-CG 4.39Å; Y340-L424 HydrophobicContact CG-CD1 4.42Å; Y340-L424 WeakPolarHBondContact O-CD2 3.1Å; T384-L424 HydrophobicContact CG2-CD1 3.98Å; I407-L424 HydrophobicContact CD1-CD2 4.4Å; I407-L424 HydrophobicContact CD1-CG 4.06Å; H420-L424 WeakPolarHBondContact O-CB 3.18Å; H420-L424 PolarHBondContact O-N 3.4Å; H421-L424 WeakPolarHBondContact O-CB 3.27Å; H421-L424 PolarHBondContact O-N 3.42Å; K422-L424 VanDerWaalsContact C-N 3.35Å; L424-N427 PolarHBondContact O-N 2.84Å; L424-F428 PolarHBondContact O-N 3.23Å
425L98.8Very high98.7Very high45 Ų4563.7 Ų63.724%0.23633%0.33CS..Hα-helixtrans-61.1-43.7175.6-73.3163.8000111.6I407 H421 K422 N427 F428 L429I407-L425 HydrophobicContact CD1-CD2 3.68Å; I407-L425 HydrophobicContact CD1-CG 4.19Å; I407-L425 HydrophobicContact CG1-CD2 4.27Å; I407-L425 HydrophobicContact CG2-CD2 4.48Å; H421-L425 WeakPolarHBondContact O-CB 3.32Å; H421-L425 VanDerWaalsContact O-CG 3.28Å; H421-L425 WeakPolarHBondContact O-CG 3.41Å; H421-L425 PolarHBondContact O-N 3.2Å; K422-L425 PolarHBondContact O-N 3.05Å; L425-N427 VanDerWaalsContact C-N 3.3Å; L425-N427 PolarHBondContact O-N 3.36Å; L425-F428 PolarHBondContact O-N 2.91Å; L425-L429 VanDerWaalsContact O-CG 3.31Å; L425-L429 WeakPolarHBondContact O-CG 3.33Å; L425-L429 PolarHBondContact O-N 2.87Å
426A98.9Very high98.7Very high56 Ų5660.3 Ų60.346%0.46331%0.313SS..Hα-helixtrans-59-43.2176.200000111.4K422 I423 A430K422-A426 WeakPolarHBondContact O-CB 3.22Å; K422-A426 PolarHBondContact O-N 3.18Å; I423-A426 PolarHBondContact O-N 3.02Å; A426-A430 WeakPolarHBondContact O-CB 3.46Å; A426-A430 PolarHBondContact O-N 3.39Å
427N98.9Very high98.7Very high48 Ų4856.6 Ų56.626%0.25730%0.301SS..Hα-helixtrans-67.2-42.6176.8-86.3-78.2000113Y340 T384 Q387 I423 L424 L425 L429 A430 Q431Y340-N427 HydrophobicContact CE1-CB 4.23Å; T384-N427 HydrophobicContact CG2-CB 3.63Å; Q387-N427 PolarHBondContact OE1-OD1 2.94Å; I423-N427 PolarHBondContact O-N 3.22Å; I423-N427 PolarHBondContact O-ND2 3.02Å; L424-N427 PolarHBondContact O-N 2.84Å; L425-N427 VanDerWaalsContact C-N 3.3Å; L425-N427 PolarHBondContact O-N 3.36Å; N427-L429 VanDerWaalsContact C-N 3.34Å; N427-L429 PolarHBondContact O-N 3.34Å; N427-A430 PolarHBondContact O-N 3.37Å; N427-Q431 WeakPolarHBondContact O-CB 3.48Å; N427-Q431 VanDerWaalsContact O-CG 3.25Å; N427-Q431 WeakPolarHBondContact O-CG 3.35Å; N427-Q431 PolarHBondContact O-N 3.38Å
428F98.9Very high98.7Very high1 Ų150.2 Ų50.20%0.00427%0.272CS..Hα-helixtrans-55.3-50174.6172-86.3000111.4Y340 F405 I407 L424 L425 I477Y340-F428 HydrophobicContact CD1-CB 3.65Å; Y340-F428 HydrophobicContact CD1-CD2 4.29Å; Y340-F428 HydrophobicContact CD1-CG 4.5Å; Y340-F428 AromaticContact CD2-CD2 3.79Å; Y340-F428 HydrophobicContact CD2-CD2 3.79Å; Y340-F428 HydrophobicContact CE1-CB 3.99Å; Y340-F428 HydrophobicContact CE2-CD2 4.39Å; Y340-F428 HydrophobicContact CG-CB 4.02Å; Y340-F428 AromaticContact CG-CD2 3.77Å; Y340-F428 HydrophobicContact CG-CD2 3.77Å; Y340-F428 HydrophobicContact CG-CG 4.41Å; F405-F428 HydrophobicContact CB-CD2 4.11Å; F405-F428 HydrophobicContact CB-CE2 3.5Å; F405-F428 VanDerWaalsContact CB-CE2 3.5Å; F405-F428 HydrophobicContact CB-CZ 4Å; F405-F428 HydrophobicContact CD1-CD2 4.31Å; I407-F428 HydrophobicContact CB-CD2 3.61Å; I407-F428 HydrophobicContact CB-CE2 3.64Å; I407-F428 HydrophobicContact CB-CG 4.16Å; I407-F428 HydrophobicContact CB-CZ 4.28Å; I407-F428 HydrophobicContact CD1-CB 3.74Å; I407-F428 HydrophobicContact CD1-CD2 4.07Å; I407-F428 HydrophobicContact CD1-CG 3.94Å; I407-F428 HydrophobicContact CG1-CD2 4.42Å; I407-F428 HydrophobicContact CG2-CD1 3.86Å; I407-F428 HydrophobicContact CG2-CD2 3.59Å; I407-F428 HydrophobicContact CG2-CE1 3.74Å; I407-F428 HydrophobicContact CG2-CE2 3.38Å; I407-F428 HydrophobicContact CG2-CG 3.81Å; I407-F428 HydrophobicContact CG2-CZ 3.5Å; I407-F428 VanDerWaalsContact CG2-CZ 3.5Å; L424-F428 PolarHBondContact O-N 3.23Å; L425-F428 PolarHBondContact O-N 2.91Å; F428-I477 HydrophobicContact CE1-CD1 3.93Å; F428-I477 HydrophobicContact CE1-CG1 3.86Å; F428-I477 HydrophobicContact CZ-CD1 4.44Å; F428-I477 HydrophobicContact CZ-CG1 3.88Å
429L98.9Very high98.7Very high95 Ų9550.6 Ų50.650%0.49727%0.271SS..Hα-helixtrans-66.5-48.9-179.8-66.7169.5000111.1L425 N427 Q431 T432 E433L425-L429 VanDerWaalsContact O-CG 3.31Å; L425-L429 WeakPolarHBondContact O-CG 3.33Å; L425-L429 PolarHBondContact O-N 2.87Å; N427-L429 VanDerWaalsContact C-N 3.34Å; N427-L429 PolarHBondContact O-N 3.34Å; L429-Q431 VanDerWaalsContact C-N 3.31Å; L429-Q431 PolarHBondContact O-N 3.33Å; L429-T432 PolarHBondContact O-N 3.31Å; L429-T432 PolarHBondContact O-OG1 3.08Å; L429-E433 WeakPolarHBondContact O-CB 3.35Å; L429-E433 PolarHBondContact O-N 2.97Å
430A98.8Very high98.6Very high46 Ų4649.9 Ų49.938%0.3827%0.269SS..Hα-helixtrans-61.8-36.2-17700000112.8A426 N427 A434A426-A430 WeakPolarHBondContact O-CB 3.46Å; A426-A430 PolarHBondContact O-N 3.39Å; N427-A430 PolarHBondContact O-N 3.37Å; A430-A434 WeakPolarHBondContact O-CB 3.46Å; A430-A434 PolarHBondContact O-N 2.87Å
431Q98.9Very high98.5Very high31 Ų3148.1 Ų48.115%0.14527%0.266CS..Hα-helixtrans-68.7-44.7-179.1-73.6-63.8-20.400112.5Q387 Y391 H395 F405 N427 L429 E433 A434 L435Q387-Q431 VanDerWaalsContact CD-NE2 3.27Å; Q387-Q431 HydrophobicContact CG-CG 4.07Å; Q387-Q431 VanDerWaalsContact NE2-CG 3.25Å; Y391-Q431 HydrophobicContact CD2-CG 4.32Å; Y391-Q431 HydrophobicContact CE2-CB 4.23Å; Y391-Q431 HydrophobicContact CE2-CG 3.95Å; H395-Q431 PolarHBondContact NE2-OE1 2.9Å; F405-Q431 HydrophobicContact CE1-CB 3.72Å; F405-Q431 HydrophobicContact CZ-CB 4.17Å; N427-Q431 WeakPolarHBondContact O-CB 3.48Å; N427-Q431 VanDerWaalsContact O-CG 3.25Å; N427-Q431 WeakPolarHBondContact O-CG 3.35Å; N427-Q431 PolarHBondContact O-N 3.38Å; L429-Q431 VanDerWaalsContact C-N 3.31Å; L429-Q431 PolarHBondContact O-N 3.33Å; Q431-E433 VanDerWaalsContact C-N 3.32Å; Q431-A434 PolarHBondContact O-N 3.03Å; Q431-L435 WeakPolarHBondContact O-CB 3.47Å; Q431-L435 VanDerWaalsContact O-CG 3.3Å; Q431-L435 WeakPolarHBondContact O-CG 3.38Å; Q431-L435 PolarHBondContact O-N 2.87Å
432T98.8Very high98.5Very high1 Ų153.6 Ų53.61%0.00629%0.291CS..Hα-helixtrans-68.4-34.7177.265.70000111.7F405 L429 M436 T473F405-T432 HydrophobicContact CB-CG2 4.01Å; F405-T432 HydrophobicContact CD1-CG2 3.66Å; F405-T432 HydrophobicContact CD2-CG2 3.7Å; F405-T432 HydrophobicContact CE1-CG2 3.98Å; F405-T432 HydrophobicContact CE2-CG2 4.03Å; F405-T432 HydrophobicContact CG-CG2 3.52Å; F405-T432 HydrophobicContact CZ-CG2 4.18Å; L429-T432 PolarHBondContact O-N 3.31Å; L429-T432 PolarHBondContact O-OG1 3.08Å; T432-M436 WeakPolarHBondContact O-CB 3.28Å; T432-M436 PolarHBondContact O-N 3.27Å; T432-M436 VanDerWaalsContact O-N 3.16Å; T432-T473 HydrophobicContact CG2-CG2 4.23Å
433E98.8Very high98.4Very high88 Ų8851 Ų5141%0.41128%0.281SS..Hα-helixtrans-64.6-44.8172.1-178.4176.8-154.500112.2L429 Q431 M436 K437L429-E433 WeakPolarHBondContact O-CB 3.35Å; L429-E433 PolarHBondContact O-N 2.97Å; Q431-E433 VanDerWaalsContact C-N 3.32Å; E433-M436 PolarHBondContact O-N 3.39Å; E433-K437 HydrophobicContact CG-CD 3.83Å; E433-K437 HydrophobicContact CG-CG 4.27Å; E433-K437 WeakPolarHBondContact O-CB 3.28Å; E433-K437 PolarHBondContact O-N 2.94Å; E433-K437 VanDerWaalsContact OE1-CE 3.28Å; E433-K437 WeakPolarHBondContact OE1-CE 3.37Å; E433-K437 IonicContact OE1-NZ 3.95Å; E433-K437 PolarHBondContact OE1-NZ 3.21Å
434A98.7Very high98.3Very high39 Ų3946.6 Ų46.632%0.32226%0.259SS..Hα-helixtrans-65-42.1178.800000112A430 Q431 M436 K437 G438A430-A434 WeakPolarHBondContact O-CB 3.46Å; A430-A434 PolarHBondContact O-N 2.87Å; Q431-A434 PolarHBondContact O-N 3.03Å; A434-M436 VanDerWaalsContact C-N 3.28Å; A434-M436 PolarHBondContact O-N 3.28Å; A434-K437 PolarHBondContact O-N 3.24Å; A434-G438 PolarHBondContact O-N 3.12Å
435L98.8Very high98.2Very high3 Ų348.1 Ų48.12%0.01626%0.262CS..Hα-helixtrans-60.5-38.3175.5-75.7169.4000111.8I394 H395 F405 Q431 G469 N470 R471 T473I394-L435 HydrophobicContact CG2-CD1 4.49Å; I394-L435 HydrophobicContact CG2-CD2 3.68Å; H395-L435 VanDerWaalsContact CE1-CD2 3.45Å; H395-L435 WeakPolarHBondContact CE1-CD2 3.12Å; F405-L435 HydrophobicContact CE2-CD1 3.97Å; F405-L435 HydrophobicContact CZ-CD1 3.88Å; Q431-L435 WeakPolarHBondContact O-CB 3.47Å; Q431-L435 VanDerWaalsContact O-CG 3.3Å; Q431-L435 WeakPolarHBondContact O-CG 3.38Å; Q431-L435 PolarHBondContact O-N 2.87Å; L435-G469 CarbonylContact O-C 3.5Å; L435-G469 VanDerWaalsContact O-CA 3.28Å; L435-G469 WeakPolarHBondContact O-CA 3.46Å; L435-N470 PolarHBondContact O-N 2.81Å; L435-N470 VanDerWaalsContact O-N 3.09Å; L435-R471 HydrophobicContact CB-CB 4Å; L435-R471 HydrophobicContact CD2-CB 3.88Å; L435-R471 HydrophobicContact CD2-CG 4.39Å; L435-R471 WeakPolarHBondContact O-CB 3.19Å; L435-R471 PolarHBondContact O-N 2.86Å; L435-T473 HydrophobicContact CB-CG2 4.31Å; L435-T473 HydrophobicContact CD1-CG2 3.57Å
436M98.6Very high98.1Very high19 Ų1953.1 Ų53.19%0.09428%0.281CS..Hα-helixtrans-71.1-55.5175177.4-170.67400112.2V25 F29 K56 T432 E433 A434 N470V25-M436 HydrophobicContact CB-CG 4.02Å; V25-M436 HydrophobicContact CG1-CG 3.61Å; V25-M436 HydrophobicContact CG1-SD 3.89Å; F29-M436 HydrophobicContact CD2-SD 3.49Å; F29-M436 WeakPolarHBondContact CD2-SD 3.33Å; F29-M436 HydrophobicContact CE2-SD 3.49Å; F29-M436 WeakPolarHBondContact CE2-SD 3.25Å; F29-M436 HydrophobicContact CG-SD 4.35Å; F29-M436 HydrophobicContact CZ-SD 4.33Å; K56-M436 HydrophobicContact CD-CB 4.45Å; K56-M436 HydrophobicContact CD-SD 4.31Å; K56-M436 HydrophobicContact CG-SD 4.15Å; T432-M436 WeakPolarHBondContact O-CB 3.28Å; T432-M436 PolarHBondContact O-N 3.27Å; T432-M436 VanDerWaalsContact O-N 3.16Å; E433-M436 PolarHBondContact O-N 3.39Å; A434-M436 VanDerWaalsContact C-N 3.28Å; A434-M436 PolarHBondContact O-N 3.28Å; M436-N470 PolarHBondContact O-N 2.86Å
437K98.3Very high98Very high95 Ų9555.1 Ų55.141%0.41328%0.281SS..Hα-helixtrans-75.7-38.7-168.8-74.1-173.3172.51740113.8R26 E433 A434R26-K437 PolarHBondContact NH1-O 2.88Å; E433-K437 HydrophobicContact CG-CD 3.83Å; E433-K437 HydrophobicContact CG-CG 4.27Å; E433-K437 WeakPolarHBondContact O-CB 3.28Å; E433-K437 PolarHBondContact O-N 2.94Å; E433-K437 VanDerWaalsContact OE1-CE 3.28Å; E433-K437 WeakPolarHBondContact OE1-CE 3.37Å; E433-K437 IonicContact OE1-NZ 3.95Å; E433-K437 PolarHBondContact OE1-NZ 3.21Å; A434-K437 PolarHBondContact O-N 3.24Å
438G97.9Very high97.9Very high18 Ų1853.2 Ų53.219%0.18627%0.271CS..  trans62.7-159.1-163.900000112.7A434 F467 G469A434-G438 PolarHBondContact O-N 3.12Å; G438-F467 CarbonylContact C-O 3.51Å; G438-F467 WeakPolarHBondContact CA-O 3.45Å; G438-G469 VanDerWaalsContact CA-CA 3.46Å
439K97.9Very high97.7Very high54 Ų5458 Ų5824%0.23529%0.293CS..BIsolated β-bridgetrans-146.1114.6176.4-172.9-179.7-53.2-154.10107.6E443 A444 E447 V466 F467K439-E443 HydrophobicContact CG-CB 3.85Å; K439-A444 HydrophobicContact CD-CB 4.08Å; K439-A444 HydrophobicContact CG-CB 4.32Å; K439-E447 IonicContact NZ-OE1 3.86Å; K439-E447 PolarHBondContact NZ-OE1 3.49Å; K439-E447 IonicContact NZ-OE2 3.75Å; K439-E447 PolarHBondContact NZ-OE2 3.38Å; K439-V466 WeakPolarHBondContact O-CG1 3.5Å; K439-F467 HydrophobicContact CB-CB 4.04Å; K439-F467 HydrophobicContact CB-CD2 4.07Å; K439-F467 HydrophobicContact CB-CG 4.46Å; K439-F467 PolarHBondContact N-O 3.34Å; K439-F467 PolarHBondContact O-N 3.08Å
440T96.8Very high97.6Very high48 Ų4857.6 Ų57.629%0.29430%0.304SS..  trans-67.5163.3-178.459.40000111.7E442 E443 A444T440-E442 PolarHBondContact O-N 3.49Å; T440-E443 WeakPolarHBondContact CB-OE2 3.35Å; T440-E443 WeakPolarHBondContact CG2-OE2 3.49Å; T440-E443 PolarHBondContact N-OE2 2.96Å; T440-E443 PolarHBondContact O-N 3.48Å; T440-E443 WeakPolarHBondContact OG1-CB 3.34Å; T440-E443 WeakPolarHBondContact OG1-CG 3.49Å; T440-E443 PolarHBondContact OG1-N 2.83Å; T440-E443 PolarHBondContact OG1-OE2 3Å; T440-A444 WeakPolarHBondContact O-CB 3.22Å; T440-A444 PolarHBondContact O-N 2.98Å
441T97.6Very high97.3Very high60 Ų6058.8 Ų58.837%0.36831%0.309SS..Hα-helixtrans-57.4-40.5174.7-56.70000111.4A444 R445 L462T441-A444 PolarHBondContact O-N 3.35Å; T441-R445 WeakPolarHBondContact O-CB 3.14Å; T441-R445 PolarHBondContact O-N 3.02Å; T441-L462 HydrophobicContact CG2-CD1 4.26Å; T441-L462 HydrophobicContact CG2-CD2 3.71Å; T441-L462 HydrophobicContact CG2-CG 4.08Å
442E97.3Very high97.1Very high122 Ų12262.8 Ų62.857%0.5734%0.341SS*.Hα-helixtrans-68.4-42.6-179.4-63.969.3-153.300111.5T440 K446T440-E442 PolarHBondContact O-N 3.49Å; E442-K446 WeakPolarHBondContact O-CG 3.49Å; E442-K446 PolarHBondContact O-N 2.84Å; E442-K446 VanDerWaalsContact O-N 3.11Å
443E96.4Very high96.8Very high73 Ų7365.5 Ų65.534%0.34136%0.355SS..Hα-helixtrans-63.2-48175-72.5159.4162.500110.8R26 K439 T440 R445 K446 E447R26-E443 IonicContact NH1-OE1 3.89Å; R26-E443 IonicContact NH1-OE2 3.54Å; R26-E443 IonicContact NH2-OE1 2.66Å; R26-E443 PolarHBondContact NH2-OE1 3.41Å; K439-E443 HydrophobicContact CG-CB 3.85Å; T440-E443 WeakPolarHBondContact CB-OE2 3.35Å; T440-E443 WeakPolarHBondContact CG2-OE2 3.49Å; T440-E443 PolarHBondContact N-OE2 2.96Å; T440-E443 PolarHBondContact O-N 3.48Å; T440-E443 WeakPolarHBondContact OG1-CB 3.34Å; T440-E443 WeakPolarHBondContact OG1-CG 3.49Å; T440-E443 PolarHBondContact OG1-N 2.83Å; T440-E443 PolarHBondContact OG1-OE2 3Å; E443-R445 PolarHBondContact O-N 3.3Å; E443-K446 PolarHBondContact O-N 3.07Å; E443-E447 PolarHBondContact O-N 3.16Å
444A97.3Very high96.6Very high0 Ų065.7 Ų65.70%037%0.366CS..Hα-helixtrans-64.2-38.9178.600000112.7K439 T440 T441 E447 L448 L462 K465 V466K439-A444 HydrophobicContact CD-CB 4.08Å; K439-A444 HydrophobicContact CG-CB 4.32Å; T440-A444 WeakPolarHBondContact O-CB 3.22Å; T440-A444 PolarHBondContact O-N 2.98Å; T441-A444 PolarHBondContact O-N 3.35Å; A444-E447 PolarHBondContact O-N 3.15Å; A444-L448 WeakPolarHBondContact O-CG 3.44Å; A444-L448 PolarHBondContact O-N 3.12Å; A444-L462 HydrophobicContact CB-CD1 3.77Å; A444-K465 HydrophobicContact CB-CB 4.01Å; A444-V466 HydrophobicContact CB-CG2 4.3Å
445R97.7Very high96.4Very high69 Ų6966.3 Ų66.326%0.2638%0.376SS..Hα-helixtrans-62-48.2176.5177.6176.9-67.3-84.21.7111.3T441 E443 E447 L448 E449 L458 E459 L462T441-R445 WeakPolarHBondContact O-CB 3.14Å; T441-R445 PolarHBondContact O-N 3.02Å; E443-R445 PolarHBondContact O-N 3.3Å; R445-E447 VanDerWaalsContact C-N 3.29Å; R445-E447 PolarHBondContact O-N 3.18Å; R445-L448 PolarHBondContact O-N 3.23Å; R445-L448 VanDerWaalsContact O-N 3.12Å; R445-E449 HydrophobicContact CG-CG 4.42Å; R445-E449 WeakPolarHBondContact CG-OE1 3.46Å; R445-E449 WeakPolarHBondContact O-CG 3.49Å; R445-E449 PolarHBondContact O-N 3.45Å; R445-L458 HydrophobicContact CG-CD2 4.32Å; R445-E459 IonicContact CZ-OE1 2.78Å; R445-E459 VanDerWaalsContact CZ-OE1 3.28Å; R445-E459 IonicContact CZ-OE2 3.71Å; R445-E459 IonicContact NH1-OE1 3.96Å; R445-E459 PolarHBondContact NH1-OE1 2.64Å; R445-E459 IonicContact NH1-OE2 2.64Å; R445-E459 VanDerWaalsContact NH2-CD 3.32Å; R445-E459 IonicContact NH2-OE1 3.61Å; R445-E459 PolarHBondContact NH2-OE1 2.83Å; R445-E459 IonicContact NH2-OE2 3.85Å; R445-E459 PolarHBondContact NH2-OE2 2.88Å; R445-L462 HydrophobicContact CB-CD1 3.89Å; R445-L462 HydrophobicContact CB-CD2 4.31Å; R445-L462 VanDerWaalsContact CZ-CD2 3.48Å
446K97.1Very high96.3Very high149 Ų14972.6 Ų72.665%0.64841%0.405SS*.Hα-helixtrans-58.3-40.6177.2-74.3175.4-178.5178.20112.2E442 E443 A450E442-K446 WeakPolarHBondContact O-CG 3.49Å; E442-K446 PolarHBondContact O-N 2.84Å; E442-K446 VanDerWaalsContact O-N 3.11Å; E443-K446 PolarHBondContact O-N 3.07Å; K446-A450 WeakPolarHBondContact O-CB 3.41Å; K446-A450 PolarHBondContact O-N 2.93Å
447E96.3Very high96.1Very high98 Ų9874.1 Ų74.146%0.45842%0.421SS..Hα-helixtrans-64.7-41.4175.4-72.7178.6-177.200112.5K439 E443 A444 R445 A450 S451K439-E447 IonicContact NZ-OE1 3.86Å; K439-E447 PolarHBondContact NZ-OE1 3.49Å; K439-E447 IonicContact NZ-OE2 3.75Å; K439-E447 PolarHBondContact NZ-OE2 3.38Å; E443-E447 PolarHBondContact O-N 3.16Å; A444-E447 PolarHBondContact O-N 3.15Å; R445-E447 VanDerWaalsContact C-N 3.29Å; R445-E447 PolarHBondContact O-N 3.18Å; E447-A450 PolarHBondContact O-N 3.26Å; E447-S451 PolarHBondContact O-N 3.06Å; E447-S451 VanDerWaalsContact O-N 3.1Å
448L95.7Very high96.1Very high8 Ų869.7 Ų69.74%0.04240%0.402CS..Hα-helixtrans-66.7-43.7178.4-72.1171.5000111.8A444 R445 A450 S451 L453 L458 I461 L462 K465A444-L448 WeakPolarHBondContact O-CG 3.44Å; A444-L448 PolarHBondContact O-N 3.12Å; R445-L448 PolarHBondContact O-N 3.23Å; R445-L448 VanDerWaalsContact O-N 3.12Å; L448-A450 VanDerWaalsContact C-N 3.32Å; L448-A450 PolarHBondContact O-N 3.45Å; L448-S451 CarbonylContact O-C 3.59Å; L448-S451 PolarHBondContact O-N 2.91Å; L448-S451 PolarHBondContact O-OG 2.97Å; L448-L453 HydrophobicContact CB-CB 4.5Å; L448-L453 HydrophobicContact CD2-CD1 3.7Å; L448-L453 PolarHBondContact O-N 3.5Å; L448-L458 HydrophobicContact CB-CD1 3.86Å; L448-L458 HydrophobicContact CB-CG 4.04Å; L448-L458 HydrophobicContact CD1-CG 4.3Å; L448-I461 HydrophobicContact CD1-CG2 4.19Å; L448-I461 HydrophobicContact CD2-CG2 3.87Å; L448-L462 HydrophobicContact CD1-CB 4.1Å; L448-L462 HydrophobicContact CD1-CD1 4.05Å; L448-K465 HydrophobicContact CD1-CB 4.45Å; L448-K465 HydrophobicContact CD1-CG 4.23Å; L448-K465 HydrophobicContact CD2-CG 4.16Å; L448-K465 HydrophobicContact CG-CG 4.46Å
449E96.1Very high96.1Very high102 Ų10273.5 Ų73.548%0.47741%0.414SS..Hα-helixtrans-60-42.8174.6-70.1170176.400111.1R445 S451 S452 L458R445-E449 HydrophobicContact CG-CG 4.42Å; R445-E449 WeakPolarHBondContact CG-OE1 3.46Å; R445-E449 WeakPolarHBondContact O-CG 3.49Å; R445-E449 PolarHBondContact O-N 3.45Å; E449-S451 PolarHBondContact O-N 3.48Å; E449-S452 PolarHBondContact O-N 3.43Å; E449-L458 HydrophobicContact CG-CD1 3.52Å
450A96Very high96.1Very high87 Ų8776.8 Ų76.872%0.71943%0.429SS*.Hα-helixtrans-65.5-22175.600000113.8K446 E447 L448 S452K446-A450 WeakPolarHBondContact O-CB 3.41Å; K446-A450 PolarHBondContact O-N 2.93Å; E447-A450 PolarHBondContact O-N 3.26Å; L448-A450 VanDerWaalsContact C-N 3.32Å; L448-A450 PolarHBondContact O-N 3.45Å; A450-S452 VanDerWaalsContact C-N 3.28Å
451S93.2Very high96.1Very high70 Ų7077.8 Ų77.849%0.4943%0.432SS..THydrogen-bonded Turntrans-88.613.517373.80000114E447 L448 E449 L453E447-S451 PolarHBondContact O-N 3.06Å; E447-S451 VanDerWaalsContact O-N 3.1Å; L448-S451 CarbonylContact O-C 3.59Å; L448-S451 PolarHBondContact O-N 2.91Å; L448-S451 PolarHBondContact O-OG 2.97Å; E449-S451 PolarHBondContact O-N 3.48Å; S451-L453 VanDerWaalsContact C-N 3.27Å; S451-L453 PolarHBondContact O-N 3Å
452S93.7Very high96.1Very high116 Ų11675.3 Ų75.381%0.81142%0.416SS*.THydrogen-bonded Turntrans64.622.7-179.2-53.10000115E449 A450E449-S452 PolarHBondContact O-N 3.43Å; A450-S452 VanDerWaalsContact C-N 3.28Å
453L92.8Very high96.1Very high58 Ų5873.4 Ų73.430%0.30442%0.415SS..  trans-86.1138.7166.6-82.1154.4000109.6L448 S451 A457 L458L448-L453 HydrophobicContact CB-CB 4.5Å; L448-L453 HydrophobicContact CD2-CD1 3.7Å; L448-L453 PolarHBondContact O-N 3.5Å; S451-L453 VanDerWaalsContact C-N 3.27Å; S451-L453 PolarHBondContact O-N 3Å; L453-A457 HydrophobicContact CD2-CB 3.99Å; L453-L458 HydrophobicContact CB-CB 4.4Å; L453-L458 WeakPolarHBondContact O-CD1 3.28Å
454S94.4Very high96.2Very high92 Ų9276.3 Ų76.364%0.64343%0.428SS*.  trans-151.3166.6179.563.70000112.2
455G95.1Very high96.2Very high51 Ų5181.2 Ų81.253%0.52645%0.449SS..Hα-helixtrans60.5-142.1174.300000112.8A457 L458 E459G455-A457 PolarHBondContact O-N 3Å; G455-L458 PolarHBondContact O-N 3.15Å; G455-L458 VanDerWaalsContact O-N 3.11Å; G455-E459 PolarHBondContact O-N 3.21Å; G455-E459 VanDerWaalsContact O-N 3.16Å
456E96.2Very high96.2Very high136 Ų13679.5 Ų79.564%0.63645%0.446SS*.Hα-helixtrans-59-34.5-175.6-167-172.9166.100113.2E459 K460E456-E459 PolarHBondContact O-N 3.25Å; E456-K460 HydrophobicContact CG-CD 4.4Å; E456-K460 WeakPolarHBondContact O-CG 3.3Å; E456-K460 PolarHBondContact O-N 2.9Å; E456-K460 VanDerWaalsContact O-N 3.09Å; E456-K460 WeakPolarHBondContact OE1-CE 3.2Å; E456-K460 IonicContact OE1-NZ 3.76Å; E456-K460 PolarHBondContact OE1-NZ 3.21Å
457A95.1Very high96.3Very high50 Ų5075.2 Ų75.241%0.41343%0.428SS..Hα-helixtrans-65.6-38.8178.500000112L453 G455 I461L453-A457 HydrophobicContact CD2-CB 3.99Å; G455-A457 PolarHBondContact O-N 3Å; A457-I461 WeakPolarHBondContact O-CG1 3.44Å; A457-I461 PolarHBondContact O-N 2.72Å
458L97.4Very high96.3Very high3 Ų378 Ų782%0.01644%0.441CS..Hα-helixtrans-66.9-49.8175.3-178.6153.5000110.8R445 L448 E449 L453 G455 K460 I461 L462R445-L458 HydrophobicContact CG-CD2 4.32Å; L448-L458 HydrophobicContact CB-CD1 3.86Å; L448-L458 HydrophobicContact CB-CG 4.04Å; L448-L458 HydrophobicContact CD1-CG 4.3Å; E449-L458 HydrophobicContact CG-CD1 3.52Å; L453-L458 HydrophobicContact CB-CB 4.4Å; L453-L458 WeakPolarHBondContact O-CD1 3.28Å; G455-L458 PolarHBondContact O-N 3.15Å; G455-L458 VanDerWaalsContact O-N 3.11Å; L458-K460 PolarHBondContact O-N 3.16Å; L458-I461 PolarHBondContact O-N 2.92Å; L458-L462 HydrophobicContact CD2-CB 4.39Å; L458-L462 HydrophobicContact CD2-CD2 4.33Å; L458-L462 WeakPolarHBondContact O-CB 3.05Å; L458-L462 PolarHBondContact O-N 3.19Å
459E97.8Very high96.4Very high97 Ų9777.9 Ų77.945%0.45344%0.441SS..Hα-helixtrans-59.5-35.8-177.2-64.3-53.5144.700112.2R445 G455 E456 P463R445-E459 IonicContact CZ-OE1 2.78Å; R445-E459 VanDerWaalsContact CZ-OE1 3.28Å; R445-E459 IonicContact CZ-OE2 3.71Å; R445-E459 IonicContact NH1-OE1 3.96Å; R445-E459 PolarHBondContact NH1-OE1 2.64Å; R445-E459 IonicContact NH1-OE2 2.64Å; R445-E459 VanDerWaalsContact NH2-CD 3.32Å; R445-E459 IonicContact NH2-OE1 3.61Å; R445-E459 PolarHBondContact NH2-OE1 2.83Å; R445-E459 IonicContact NH2-OE2 3.85Å; R445-E459 PolarHBondContact NH2-OE2 2.88Å; G455-E459 PolarHBondContact O-N 3.21Å; G455-E459 VanDerWaalsContact O-N 3.16Å; E456-E459 PolarHBondContact O-N 3.25Å; E459-P463 VanDerWaalsContact O-CD 3.27Å; E459-P463 WeakPolarHBondContact O-CD 3.35Å
460K97.4Very high96.6Very high124 Ų12475 Ų7554%0.53943%0.429SS..Hα-helixtrans-66.4-40.7175.2-76.3178.2-178.6169.20113E456 L458 H464E456-K460 HydrophobicContact CG-CD 4.4Å; E456-K460 WeakPolarHBondContact O-CG 3.3Å; E456-K460 PolarHBondContact O-N 2.9Å; E456-K460 VanDerWaalsContact O-N 3.09Å; E456-K460 WeakPolarHBondContact OE1-CE 3.2Å; E456-K460 IonicContact OE1-NZ 3.76Å; E456-K460 PolarHBondContact OE1-NZ 3.21Å; L458-K460 PolarHBondContact O-N 3.16Å; K460-H464 PolarHBondContact O-CD2 2.84Å; K460-H464 VanDerWaalsContact O-CD2 3.25Å
461I97Very high96.7Very high68 Ų6872.2 Ų72.235%0.34940%0.4SS..Hα-helixtrans-84-30.2-174.7-64.6-60.6000112.4L448 A457 L458 H464 K465L448-I461 HydrophobicContact CD1-CG2 4.19Å; L448-I461 HydrophobicContact CD2-CG2 3.87Å; A457-I461 WeakPolarHBondContact O-CG1 3.44Å; A457-I461 PolarHBondContact O-N 2.72Å; L458-I461 PolarHBondContact O-N 2.92Å; I461-H464 WeakPolarHBondContact O-CB 3.45Å; I461-H464 PolarHBondContact O-N 2.87Å; I461-K465 HydrophobicContact CG2-CG 3.88Å; I461-K465 PolarHBondContact O-N 3.28Å
462L98Very high96.9Very high8 Ų868.9 Ų68.94%0.04238%0.377CS..Hα-helixtrans-46.5-53-176.4-179.558.4000114.7T441 A444 R445 L448 L458 H464 K465 V466T441-L462 HydrophobicContact CG2-CD1 4.26Å; T441-L462 HydrophobicContact CG2-CD2 3.71Å; T441-L462 HydrophobicContact CG2-CG 4.08Å; A444-L462 HydrophobicContact CB-CD1 3.77Å; R445-L462 HydrophobicContact CB-CD1 3.89Å; R445-L462 HydrophobicContact CB-CD2 4.31Å; R445-L462 VanDerWaalsContact CZ-CD2 3.48Å; L448-L462 HydrophobicContact CD1-CB 4.1Å; L448-L462 HydrophobicContact CD1-CD1 4.05Å; L458-L462 HydrophobicContact CD2-CB 4.39Å; L458-L462 HydrophobicContact CD2-CD2 4.33Å; L458-L462 WeakPolarHBondContact O-CB 3.05Å; L458-L462 PolarHBondContact O-N 3.19Å; L462-H464 PolarHBondContact O-N 3.05Å; L462-H464 VanDerWaalsContact O-N 3.16Å; L462-K465 PolarHBondContact O-N 3.41Å; L462-V466 PolarHBondContact O-N 3.48Å
463P97.9Very high97.2Very high83 Ų8363.4 Ų63.454%0.53934%0.339SS..Hα-helixtrans-61.6-26.8-17924.2-34.8000113.4E459 K465E459-P463 VanDerWaalsContact O-CD 3.27Å; E459-P463 WeakPolarHBondContact O-CD 3.35Å; P463-K465 VanDerWaalsContact C-N 3.3Å; P463-K465 PolarHBondContact O-N 3.37Å
464H97.8Very high97.5Very high134 Ų13461.1 Ų61.162%0.6233%0.326SS*.Hα-helixtrans-75.9-18.6177-59.2-81.2000113.3Q396 K460 I461 L462Q396-H464 PolarHBondContact NE2-O 2.94Å; K460-H464 PolarHBondContact O-CD2 2.84Å; K460-H464 VanDerWaalsContact O-CD2 3.25Å; I461-H464 WeakPolarHBondContact O-CB 3.45Å; I461-H464 PolarHBondContact O-N 2.87Å; L462-H464 PolarHBondContact O-N 3.05Å; L462-H464 VanDerWaalsContact O-N 3.16Å
465K97.1Very high97.7Very high103 Ų10356.9 Ų56.945%0.44830%0.297SS..Hα-helixtrans-97-6-179.9-67.6-79-176169.60113A444 L448 I461 L462 P463 F467A444-K465 HydrophobicContact CB-CB 4.01Å; L448-K465 HydrophobicContact CD1-CB 4.45Å; L448-K465 HydrophobicContact CD1-CG 4.23Å; L448-K465 HydrophobicContact CD2-CG 4.16Å; L448-K465 HydrophobicContact CG-CG 4.46Å; I461-K465 HydrophobicContact CG2-CG 3.88Å; I461-K465 PolarHBondContact O-N 3.28Å; L462-K465 PolarHBondContact O-N 3.41Å; P463-K465 VanDerWaalsContact C-N 3.3Å; P463-K465 PolarHBondContact O-N 3.37Å; K465-F467 WeakPolarHBondContact O-CD2 3.3Å
466V98.3Very high97.9Very high33 Ų3354.5 Ų54.520%0.227%0.272CS..  trans-77.5138.3173.6173.50000110Q396 K439 A444 L462Q396-V466 PolarHBondContact NE2-O 3.44Å; K439-V466 WeakPolarHBondContact O-CG1 3.5Å; A444-V466 HydrophobicContact CB-CG2 4.3Å; L462-V466 PolarHBondContact O-N 3.48Å
467F98.6Very high98Very high58 Ų5850.2 Ų50.225%0.25425%0.253SS..BIsolated β-bridgetrans-120119.3172.6-71.8-110.3000107.7H395 Q396 G438 K439 K465 G469H395-F467 HydrophobicContact CB-CD1 3.9Å; H395-F467 HydrophobicContact CB-CE1 3.84Å; Q396-F467 HydrophobicContact CG-CD1 3.98Å; Q396-F467 HydrophobicContact CG-CE1 3.91Å; Q396-F467 HydrophobicContact CG-CZ 4.39Å; G438-F467 CarbonylContact C-O 3.51Å; G438-F467 WeakPolarHBondContact CA-O 3.45Å; K439-F467 HydrophobicContact CB-CB 4.04Å; K439-F467 HydrophobicContact CB-CD2 4.07Å; K439-F467 HydrophobicContact CB-CG 4.46Å; K439-F467 PolarHBondContact N-O 3.34Å; K439-F467 PolarHBondContact O-N 3.08Å; K465-F467 WeakPolarHBondContact O-CD2 3.3Å; F467-G469 PolarHBondContact O-N 3.45Å
468Q97.4Very high98.2Very high158 Ų15848 Ų4874%0.73823%0.234SC*.  trans-67.3-19.5-175.9-68.1174.2-30.400113.3
469G98.2Very high98.3Very high5 Ų552.5 Ų52.55%0.05225%0.254CS..  trans62.3-146.5-178.200000112.1L435 G438 F467 R471L435-G469 CarbonylContact O-C 3.5Å; L435-G469 VanDerWaalsContact O-CA 3.28Å; L435-G469 WeakPolarHBondContact O-CA 3.46Å; G438-G469 VanDerWaalsContact CA-CA 3.46Å; F467-G469 PolarHBondContact O-N 3.45Å; G469-R471 PolarHBondContact O-N 3.38Å; G469-R471 VanDerWaalsContact O-N 3.13Å; G469-R471 PolarHBondContact O-NH1 2.91Å
470N98.5Very high98.3Very high42 Ų4250.5 Ų50.523%0.22524%0.244CC..  trans53.531.6175.6-152.234.9000114.8L23 N24 V25 L58 L435 M436L23-N470 PolarHBondContact O-ND2 3.35Å; N24-N470 WeakPolarHBondContact CA-OD1 3.4Å; V25-N470 PolarHBondContact N-OD1 2.9Å; L58-N470 WeakPolarHBondContact CD2-OD1 3.08Å; L435-N470 PolarHBondContact O-N 2.81Å; L435-N470 VanDerWaalsContact O-N 3.09Å; M436-N470 PolarHBondContact O-N 2.86Å
471R98.6Very high98.4Very high27 Ų2744.7 Ų44.710%0.10222%0.218CC..  trans-101.8123.1179.9-74.6156170.779.6-0.9110.1I394 H395 G397 L435 G469I394-R471 WeakPolarHBondContact O-CD 3.3Å; I394-R471 PolarHBondContact O-NE 2.71Å; H395-R471 PolarHBondContact O-NE 2.9Å; H395-R471 PolarHBondContact O-NH2 2.99Å; G397-R471 PolarHBondContact O-NH2 3.35Å; L435-R471 HydrophobicContact CB-CB 4Å; L435-R471 HydrophobicContact CD2-CB 3.88Å; L435-R471 HydrophobicContact CD2-CG 4.39Å; L435-R471 WeakPolarHBondContact O-CB 3.19Å; L435-R471 PolarHBondContact O-N 2.86Å; G469-R471 PolarHBondContact O-N 3.38Å; G469-R471 VanDerWaalsContact O-N 3.13Å; G469-R471 PolarHBondContact O-NH1 2.91Å
472P98.8Very high98.5Very high1 Ų142.1 Ų42.11%0.00621%0.206CC..  trans-77.8140.3-169.231-35.3000112.8K56 L58 Y326 A403K56-P472 WeakPolarHBondContact O-CA 3.38Å; L58-P472 HydrophobicContact CD1-CG 4.46Å; Y326-P472 HydrophobicContact CD1-CG 4.37Å; Y326-P472 HydrophobicContact CE1-CB 4.04Å; Y326-P472 HydrophobicContact CE1-CG 3.69Å; Y326-P472 HydrophobicContact CE2-CB 4.18Å; Y326-P472 HydrophobicContact CE2-CG 4.3Å; Y326-P472 WeakPolarHBondContact OH-CB 3.36Å; A403-P472 PolarHBondContact N-O 3.37Å
473T98.9Very high98.5Very high1 Ų141.8 Ų41.81%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-139146.1176.552.70000111.3K56 N57 A403 F405 T432 L435K56-T473 PolarHBondContact O-N 2.71Å; N57-T473 PolarHBondContact ND2-O 2.8Å; A403-T473 HydrophobicContact CB-CG2 4.22Å; A403-T473 CarbonylContact O-C 3.58Å; A403-T473 VanDerWaalsContact O-CA 3.28Å; A403-T473 WeakPolarHBondContact O-CA 3.26Å; F405-T473 HydrophobicContact CD2-CG2 4.04Å; F405-T473 HydrophobicContact CE2-CG2 3.73Å; T432-T473 HydrophobicContact CG2-CG2 4.23Å; L435-T473 HydrophobicContact CB-CG2 4.31Å; L435-T473 HydrophobicContact CD1-CG2 3.57Å
474N99Very high98.6Very high9 Ų938.5 Ų38.55%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-98.7141.7157.6-63.8-46.2000109.1D53 Y54 N57 A403 D404 F405D53-N474 WeakPolarHBondContact O-CA 3.34Å; Y54-N474 WeakPolarHBondContact CB-OD1 3.44Å; N57-N474 PolarHBondContact ND2-OD1 2.85Å; A403-N474 PolarHBondContact O-N 3.2Å; D404-N474 WeakPolarHBondContact OD1-CB 3.32Å; D404-N474 PolarHBondContact OD1-ND2 2.66Å; F405-N474 PolarHBondContact N-O 2.8Å
475S98.9Very high98.6Very high4 Ų432.2 Ų32.23%0.02815%0.152CC..EExtended strand (participates in β ladder)trans-115115170.5-63.70000109.4D53D53-S475 PolarHBondContact N-O 2.67Å; D53-S475 PolarHBondContact O-N 2.95Å
476I98.9Very high98.7Very high0 Ų027.3 Ų27.30%013%0.131CC..EExtended strand (participates in β ladder)trans-108.8102.7179.8-56.7169.7000107.9I50 L51 L52 F405 L406 I407 F478 L489 M492 Y493I50-I476 HydrophobicContact CG2-CG2 4.18Å; L51-I476 CarbonylContact O-C 3.42Å; L51-I476 VanDerWaalsContact O-CA 3.31Å; L51-I476 WeakPolarHBondContact O-CA 3.43Å; L52-I476 HydrophobicContact CD1-CD1 4.46Å; L52-I476 HydrophobicContact CD1-CG1 3.9Å; F405-I476 PolarHBondContact O-N 2.93Å; L406-I476 WeakPolarHBondContact CA-O 3.48Å; L406-I476 HydrophobicContact CD2-CB 4.38Å; L406-I476 HydrophobicContact CD2-CD1 4.12Å; L406-I476 HydrophobicContact CD2-CG2 4.46Å; L406-I476 HydrophobicContact CG-CB 4.17Å; L406-I476 HydrophobicContact CG-CD1 4.25Å; I407-I476 PolarHBondContact N-O 2.91Å; I476-F478 HydrophobicContact CG2-CD1 4.33Å; I476-L489 HydrophobicContact CG2-CD2 3.98Å; I476-M492 HydrophobicContact CD1-CE 3.99Å; I476-M492 HydrophobicContact CG2-CE 4.24Å; I476-Y493 HydrophobicContact CD1-CE2 4.37Å; I476-Y493 WeakPolarHBondContact CD1-OH 3.41Å
477I98.9Very high98.7Very high47 Ų4725.7 Ų25.724%0.24112%0.121CC..EExtended strand (participates in β ladder)trans-109.1131.9-178.3-57.5171.6000108.1I50 L51 I407 A409 F428I50-I477 CarbonylContact C-O 3.59Å; L51-I477 HydrophobicContact CB-CB 4.38Å; L51-I477 HydrophobicContact CD2-CD1 4.37Å; L51-I477 PolarHBondContact N-O 3.22Å; L51-I477 PolarHBondContact O-N 3.4Å; I407-I477 HydrophobicContact CG2-CG1 3.96Å; I407-I477 HydrophobicContact CG2-CG2 4.39Å; I407-I477 WeakPolarHBondContact O-CA 3.49Å; A409-I477 HydrophobicContact CB-CG2 4.4Å; F428-I477 HydrophobicContact CE1-CD1 3.93Å; F428-I477 HydrophobicContact CE1-CG1 3.86Å; F428-I477 HydrophobicContact CZ-CD1 4.44Å; F428-I477 HydrophobicContact CZ-CG1 3.88Å
478F98.9Very high98.8Very high2 Ų223 Ų231%0.00911%0.109CC..EExtended strand (participates in β ladder)trans-132.9151.7178.843-88.1000110.5D49 I50 M344 L406 I407 P408 A409 I476 K480 L481 T485 L489D49-F478 WeakPolarHBondContact O-CA 3.36Å; I50-F478 HydrophobicContact CB-CB 4.49Å; I50-F478 HydrophobicContact CG1-CB 4.03Å; I50-F478 HydrophobicContact CG2-CB 4.41Å; M344-F478 HydrophobicContact SD-CZ 4.05Å; L406-F478 HydrophobicContact CB-CE1 4.2Å; I407-F478 PolarHBondContact O-N 2.98Å; I407-F478 VanDerWaalsContact O-N 3.13Å; P408-F478 CarbonylContact C-O 3.6Å; P408-F478 VanDerWaalsContact CA-O 3.22Å; P408-F478 WeakPolarHBondContact CA-O 3.4Å; P408-F478 HydrophobicContact CB-CD2 3.96Å; P408-F478 HydrophobicContact CB-CE2 3.6Å; P408-F478 HydrophobicContact CB-CZ 4.43Å; P408-F478 HydrophobicContact CG-CE2 4.18Å; A409-F478 PolarHBondContact N-O 3.5Å; I476-F478 HydrophobicContact CG2-CD1 4.33Å; F478-K480 PolarHBondContact O-N 3.31Å; F478-L481 HydrophobicContact CE2-CB 4Å; F478-L481 HydrophobicContact CE2-CD1 3.83Å; F478-L481 HydrophobicContact CZ-CD1 4.22Å; F478-T485 HydrophobicContact CB-CG2 3.8Å; F478-T485 HydrophobicContact CD2-CG2 3.64Å; F478-T485 HydrophobicContact CE2-CG2 4.43Å; F478-T485 HydrophobicContact CG-CG2 3.83Å; F478-L489 HydrophobicContact CD1-CD1 3.83Å; F478-L489 HydrophobicContact CD1-CD2 4.16Å; F478-L489 HydrophobicContact CD2-CD1 4.4Å; F478-L489 HydrophobicContact CE1-CD1 3.62Å; F478-L489 HydrophobicContact CE1-CD2 4.46Å; F478-L489 HydrophobicContact CE2-CD1 4.2Å; F478-L489 HydrophobicContact CG-CD1 4.22Å; F478-L489 HydrophobicContact CZ-CD1 3.82Å
479K98.6Very high98.8Very high98 Ų9815.4 Ų15.443%0.4267%0.074SC..EExtended strand (participates in β ladder)trans-51.8-51.9-174.5-177.7-177.5175.4-173.40113.2D49 A409 Q410D49-K479 PolarHBondContact O-N 3.04Å; D49-K479 VanDerWaalsContact O-N 3.08Å; A409-K479 PolarHBondContact N-O 3.22Å; Q410-K479 VanDerWaalsContact CB-O 3.32Å; Q410-K479 WeakPolarHBondContact CB-O 3.49Å; Q410-K479 WeakPolarHBondContact CG-O 3.34Å; Q410-K479 PolarHBondContact N-O 3.1Å
480K98.8Very high98.9Very high56 Ų5615.2 Ų15.224%0.2437%0.071CC..EExtended strand (participates in β ladder)trans-159.2147.7-178.4-169.9166.8-176.7179.30110.1Q410 F478 T482 T485Q410-K480 HydrophobicContact CB-CB 4.22Å; Q410-K480 HydrophobicContact CB-CD 4.28Å; Q410-K480 HydrophobicContact CB-CG 4.28Å; F478-K480 PolarHBondContact O-N 3.31Å; K480-T482 VanDerWaalsContact C-N 3.33Å; K480-T482 HydrophobicContact CB-CG2 4.11Å; K480-T482 HydrophobicContact CG-CG2 4.2Å; K480-T482 PolarHBondContact O-N 2.86Å; K480-T485 VanDerWaalsContact O-CB 3.27Å; K480-T485 WeakPolarHBondContact O-CB 3.37Å; K480-T485 WeakPolarHBondContact O-CG2 3.49Å; K480-T485 PolarHBondContact O-OG1 2.91Å
481L98.9Very high98.9Very high2 Ų213.2 Ų13.21%0.016%0.061CC..  trans-78.980.8174.8-167.466.5000110.8A169 M344 Q412 F478 L486 L489A169-L481 HydrophobicContact CB-CD2 4.48Å; M344-L481 HydrophobicContact CG-CD1 4.45Å; M344-L481 HydrophobicContact CG-CD2 3.53Å; M344-L481 HydrophobicContact SD-CD1 4.02Å; M344-L481 HydrophobicContact SD-CD2 3.97Å; Q412-L481 PolarHBondContact NE2-O 3.27Å; F478-L481 HydrophobicContact CE2-CB 4Å; F478-L481 HydrophobicContact CE2-CD1 3.83Å; F478-L481 HydrophobicContact CZ-CD1 4.22Å; L481-L486 HydrophobicContact CD1-CB 4.14Å; L481-L486 HydrophobicContact CD1-CD1 4.26Å; L481-L489 HydrophobicContact CD1-CD1 4.3Å
482T98.9Very high98.9Very high13 Ų1311.9 Ų11.98%0.086%0.056CC..  trans-93.816917470.40000110.6D47 K480 Y484 T485 L486D47-T482 WeakPolarHBondContact OD2-CB 3.37Å; D47-T482 VanDerWaalsContact OD2-CG2 3.28Å; D47-T482 WeakPolarHBondContact OD2-CG2 3.26Å; D47-T482 PolarHBondContact OD2-OG1 3.14Å; K480-T482 VanDerWaalsContact C-N 3.33Å; K480-T482 HydrophobicContact CB-CG2 4.11Å; K480-T482 HydrophobicContact CG-CG2 4.2Å; K480-T482 PolarHBondContact O-N 2.86Å; T482-Y484 PolarHBondContact O-N 2.93Å; T482-Y484 PolarHBondContact OG1-N 3.09Å; T482-T485 PolarHBondContact O-N 2.84Å; T482-T485 PolarHBondContact OG1-N 3.47Å; T482-T485 PolarHBondContact OG1-OG1 3.13Å; T482-T485 VanDerWaalsContact OG1-OG1 3.11Å; T482-L486 WeakPolarHBondContact O-CB 3.37Å; T482-L486 PolarHBondContact O-N 3.48Å
483P98.9Very high98.9Very high2 Ų211.9 Ų11.91%0.0136%0.056CC..Hα-helixtrans-54.3-43.1171.9-24.833.5000112.3L170 Y173 N291 K294 L295 G487L170-P483 HydrophobicContact CD1-CB 3.87Å; L170-P483 HydrophobicContact CD1-CG 4.08Å; L170-P483 HydrophobicContact CD2-CB 4.45Å; L170-P483 HydrophobicContact CD2-CG 4.2Å; Y173-P483 HydrophobicContact CD1-CG 4.29Å; Y173-P483 HydrophobicContact CD2-CG 4.27Å; Y173-P483 HydrophobicContact CE2-CG 4.49Å; Y173-P483 HydrophobicContact CG-CG 4.18Å; N291-P483 HydrophobicContact CB-CB 4.37Å; N291-P483 HydrophobicContact CB-CG 3.9Å; N291-P483 VanDerWaalsContact O-CB 3.22Å; N291-P483 WeakPolarHBondContact O-CB 3.41Å; K294-P483 HydrophobicContact CB-CB 4.07Å; L295-P483 VanDerWaalsContact CA-O 3.29Å; L295-P483 WeakPolarHBondContact CA-O 3.32Å; L295-P483 HydrophobicContact CB-CB 4.25Å; L295-P483 VanDerWaalsContact CD1-O 3.3Å; L295-P483 WeakPolarHBondContact CD1-O 3.47Å; P483-G487 PolarHBondContact O-N 3.43Å
484Y98.9Very high98.9Very high13 Ų1312 Ų125%0.0516%0.056CC..Hα-helixtrans-62-53.5177-175.4-77.2000111.9T45 D47 K294 G298 W301 T482 L486 G487 A488T45-Y484 HydrophobicContact CG2-CE1 4.47Å; T45-Y484 WeakPolarHBondContact OG1-CE1 3.4Å; D47-Y484 HydrophobicContact CB-CD1 3.62Å; D47-Y484 HydrophobicContact CB-CE1 4.21Å; D47-Y484 HydrophobicContact CB-CG 3.88Å; K294-Y484 VanDerWaalsContact O-CA 3.32Å; K294-Y484 WeakPolarHBondContact O-CA 3.22Å; G298-Y484 WeakPolarHBondContact CA-O 3.39Å; W301-Y484 HydrophobicContact CB-CE1 4.48Å; W301-Y484 WeakPolarHBondContact CB-OH 3.17Å; T482-Y484 PolarHBondContact O-N 2.93Å; T482-Y484 PolarHBondContact OG1-N 3.09Å; Y484-L486 VanDerWaalsContact C-N 3.31Å; Y484-L486 PolarHBondContact O-N 2.94Å; Y484-G487 WeakPolarHBondContact O-CA 3.49Å; Y484-G487 PolarHBondContact O-N 3.34Å; Y484-A488 PolarHBondContact O-N 2.7Å
485T98.9Very high98.9Very high2 Ų211.6 Ų11.61%0.0125%0.054CC..Hα-helixtrans-59.1-43.3-179.5-580000111.4I50 F478 K480 T482 G487 A488 L489I50-T485 HydrophobicContact CD1-CG2 4.49Å; F478-T485 HydrophobicContact CB-CG2 3.8Å; F478-T485 HydrophobicContact CD2-CG2 3.64Å; F478-T485 HydrophobicContact CE2-CG2 4.43Å; F478-T485 HydrophobicContact CG-CG2 3.83Å; K480-T485 VanDerWaalsContact O-CB 3.27Å; K480-T485 WeakPolarHBondContact O-CB 3.37Å; K480-T485 WeakPolarHBondContact O-CG2 3.49Å; K480-T485 PolarHBondContact O-OG1 2.91Å; T482-T485 PolarHBondContact O-N 2.84Å; T482-T485 PolarHBondContact OG1-N 3.47Å; T482-T485 PolarHBondContact OG1-OG1 3.13Å; T482-T485 VanDerWaalsContact OG1-OG1 3.11Å; T485-G487 VanDerWaalsContact C-N 3.3Å; T485-G487 PolarHBondContact O-N 3.49Å; T485-A488 PolarHBondContact O-N 3.16Å; T485-L489 HydrophobicContact CG2-CD1 4.07Å; T485-L489 HydrophobicContact CG2-CG 4.34Å; T485-L489 VanDerWaalsContact O-CG 3.29Å; T485-L489 WeakPolarHBondContact O-CG 3.27Å; T485-L489 PolarHBondContact O-N 2.79Å
486L98.9Very high98.9Very high0 Ų011.6 Ų11.60%05%0.053CC..Hα-helixtrans-60.1-42.3176.2179.362.7000111.4M165 V166 A169 L170 L295 F347 L481 T482 Y484 A488 L489 I490M165-L486 HydrophobicContact SD-CD1 4.37Å; V166-L486 HydrophobicContact CB-CD2 4.45Å; V166-L486 HydrophobicContact CG1-CD2 4.06Å; V166-L486 HydrophobicContact CG2-CD2 4.3Å; A169-L486 HydrophobicContact CB-CD1 4.39Å; A169-L486 HydrophobicContact CB-CD2 3.59Å; L170-L486 HydrophobicContact CD1-CD2 3.92Å; L170-L486 HydrophobicContact CD2-CB 4.34Å; L170-L486 HydrophobicContact CD2-CD2 3.9Å; L170-L486 HydrophobicContact CG-CD2 3.67Å; L295-L486 HydrophobicContact CD1-CB 4.35Å; L295-L486 HydrophobicContact CD1-CD2 4.42Å; L295-L486 HydrophobicContact CD1-CG 4.29Å; F347-L486 HydrophobicContact CD2-CD1 4.36Å; F347-L486 HydrophobicContact CE2-CD1 4.18Å; L481-L486 HydrophobicContact CD1-CB 4.14Å; L481-L486 HydrophobicContact CD1-CD1 4.26Å; T482-L486 WeakPolarHBondContact O-CB 3.37Å; T482-L486 PolarHBondContact O-N 3.48Å; Y484-L486 VanDerWaalsContact C-N 3.31Å; Y484-L486 PolarHBondContact O-N 2.94Å; L486-A488 PolarHBondContact O-N 3.29Å; L486-L489 PolarHBondContact O-N 3.47Å; L486-I490 HydrophobicContact CD1-CD1 3.95Å; L486-I490 HydrophobicContact CD1-CG1 4.06Å; L486-I490 HydrophobicContact CD2-CD1 4.44Å; L486-I490 HydrophobicContact CG-CD1 3.77Å; L486-I490 HydrophobicContact CG-CG1 4.34Å; L486-I490 VanDerWaalsContact O-CG1 3.25Å; L486-I490 WeakPolarHBondContact O-CG1 3.36Å; L486-I490 PolarHBondContact O-N 3.4Å
487G98.9Very high98.9Very high0 Ų011.6 Ų11.60%05%0.054CC..Hα-helixtrans-59-46176.200000112.4L295 A299 P483 Y484 T485 I490 A491L295-G487 WeakPolarHBondContact O-CA 3.28Å; A299-G487 WeakPolarHBondContact CA-O 3.11Å; A299-G487 WeakPolarHBondContact CB-O 3.31Å; P483-G487 PolarHBondContact O-N 3.43Å; Y484-G487 WeakPolarHBondContact O-CA 3.49Å; Y484-G487 PolarHBondContact O-N 3.34Å; T485-G487 VanDerWaalsContact C-N 3.3Å; T485-G487 PolarHBondContact O-N 3.49Å; G487-I490 PolarHBondContact O-N 2.82Å; G487-A491 WeakPolarHBondContact O-CB 3.35Å; G487-A491 PolarHBondContact O-N 3.18Å; G487-A491 VanDerWaalsContact O-N 3.07Å
488A98.9Very high98.9Very high0 Ų09.7 Ų9.70%04%0.043CC..Hα-helixtrans-62.4-43.5176.700000112I50 G298 M302 Y484 T485 L486 M492I50-A488 HydrophobicContact CD1-CB 3.96Å; G298-A488 VanDerWaalsContact O-CA 3.31Å; G298-A488 WeakPolarHBondContact O-CA 3.32Å; G298-A488 WeakPolarHBondContact O-CB 3.42Å; M302-A488 HydrophobicContact CB-CB 4.41Å; M302-A488 HydrophobicContact CE-CB 4.31Å; M302-A488 WeakPolarHBondContact CG-O 3.36Å; Y484-A488 PolarHBondContact O-N 2.7Å; T485-A488 PolarHBondContact O-N 3.16Å; L486-A488 PolarHBondContact O-N 3.29Å; A488-M492 WeakPolarHBondContact O-CB 2.83Å; A488-M492 PolarHBondContact O-N 3.17Å
489L98.9Very high98.9Very high0 Ų09.6 Ų9.60%04%0.043CC..Hα-helixtrans-64.4-43.8178.6-69.3172.9000112I50 I476 F478 L481 T485 L486 M492 Y493I50-L489 HydrophobicContact CG2-CD2 4.3Å; I476-L489 HydrophobicContact CG2-CD2 3.98Å; F478-L489 HydrophobicContact CD1-CD1 3.83Å; F478-L489 HydrophobicContact CD1-CD2 4.16Å; F478-L489 HydrophobicContact CD2-CD1 4.4Å; F478-L489 HydrophobicContact CE1-CD1 3.62Å; F478-L489 HydrophobicContact CE1-CD2 4.46Å; F478-L489 HydrophobicContact CE2-CD1 4.2Å; F478-L489 HydrophobicContact CG-CD1 4.22Å; F478-L489 HydrophobicContact CZ-CD1 3.82Å; L481-L489 HydrophobicContact CD1-CD1 4.3Å; T485-L489 HydrophobicContact CG2-CD1 4.07Å; T485-L489 HydrophobicContact CG2-CG 4.34Å; T485-L489 VanDerWaalsContact O-CG 3.29Å; T485-L489 WeakPolarHBondContact O-CG 3.27Å; T485-L489 PolarHBondContact O-N 2.79Å; L486-L489 PolarHBondContact O-N 3.47Å; L489-M492 HydrophobicContact CD2-CE 3.89Å; L489-M492 WeakPolarHBondContact O-CB 3.03Å; L489-M492 PolarHBondContact O-N 3.23Å; L489-Y493 WeakPolarHBondContact O-CD2 3.49Å; L489-Y493 PolarHBondContact O-N 2.98Å
490I98.9Very high98.9Very high0 Ų05 Ų50%02%0.023CC..Hα-helixtrans-63.5-49.5179.1-61.9160.7000109.9M165 V166 L275 W276 F347 Y350 F351 L486 G487 M492 Y493 E494M165-I490 HydrophobicContact CE-CD1 3.71Å; M165-I490 HydrophobicContact CE-CG1 4.03Å; V166-I490 HydrophobicContact CG2-CD1 4.09Å; L275-I490 HydrophobicContact CD2-CD1 4.41Å; W276-I490 HydrophobicContact CH2-CB 3.84Å; W276-I490 HydrophobicContact CH2-CD1 4.09Å; W276-I490 HydrophobicContact CH2-CG2 3.94Å; W276-I490 HydrophobicContact CZ2-CB 3.9Å; W276-I490 HydrophobicContact CZ2-CG2 3.47Å; W276-I490 VanDerWaalsContact CZ2-CG2 3.47Å; F347-I490 HydrophobicContact CE2-CG1 4.19Å; Y350-I490 HydrophobicContact CE1-CG2 3.73Å; F351-I490 HydrophobicContact CZ-CB 4.37Å; F351-I490 HydrophobicContact CZ-CG2 3.95Å; L486-I490 HydrophobicContact CD1-CD1 3.95Å; L486-I490 HydrophobicContact CD1-CG1 4.06Å; L486-I490 HydrophobicContact CD2-CD1 4.44Å; L486-I490 HydrophobicContact CG-CD1 3.77Å; L486-I490 HydrophobicContact CG-CG1 4.34Å; L486-I490 VanDerWaalsContact O-CG1 3.25Å; L486-I490 WeakPolarHBondContact O-CG1 3.36Å; L486-I490 PolarHBondContact O-N 3.4Å; G487-I490 PolarHBondContact O-N 2.82Å; I490-M492 PolarHBondContact O-N 2.82Å; I490-Y493 PolarHBondContact O-N 2.89Å; I490-Y493 VanDerWaalsContact O-N 3.12Å; I490-E494 HydrophobicContact CG2-CG 4.39Å; I490-E494 WeakPolarHBondContact O-CG 3.15Å; I490-E494 PolarHBondContact O-N 3.31Å
491A98.9Very high98.9Very high0 Ų02.3 Ų2.30%01%0.012CC..Hα-helixtrans-59.8-32.9178.200000112.7A299 M302 G487 Y493 E494 H495A299-A491 HydrophobicContact CB-CB 3.95Å; M302-A491 HydrophobicContact CB-CB 3.8Å; M302-A491 HydrophobicContact CG-CB 3.94Å; G487-A491 WeakPolarHBondContact O-CB 3.35Å; G487-A491 PolarHBondContact O-N 3.18Å; G487-A491 VanDerWaalsContact O-N 3.07Å; A491-Y493 VanDerWaalsContact C-N 3.31Å; A491-Y493 PolarHBondContact O-N 3.38Å; A491-E494 PolarHBondContact O-N 2.99Å; A491-H495 PolarHBondContact O-CD2 3.46Å; A491-H495 PolarHBondContact O-N 3.03Å
492M98.9Very high98.9Very high0 Ų03.6 Ų3.60%02%0.019CC..Hα-helixtrans-60.2-43.3176.7-173.6172.862.300111.4M302 A315 P316 L319 I476 A488 L489 I490 K496M302-M492 HydrophobicContact CE-CB 3.9Å; M302-M492 HydrophobicContact CE-CG 4.21Å; M302-M492 HydrophobicContact CE-SD 4.2Å; M302-M492 HydrophobicContact CG-CB 4.01Å; M302-M492 HydrophobicContact SD-CB 3.95Å; M302-M492 HydrophobicContact SD-CG 4.15Å; A315-M492 HydrophobicContact CB-SD 4.14Å; P316-M492 HydrophobicContact CG-CG 4.04Å; L319-M492 HydrophobicContact CD1-CE 4.02Å; L319-M492 HydrophobicContact CD1-CG 3.96Å; L319-M492 HydrophobicContact CD1-SD 3.92Å; I476-M492 HydrophobicContact CD1-CE 3.99Å; I476-M492 HydrophobicContact CG2-CE 4.24Å; A488-M492 WeakPolarHBondContact O-CB 2.83Å; A488-M492 PolarHBondContact O-N 3.17Å; L489-M492 HydrophobicContact CD2-CE 3.89Å; L489-M492 WeakPolarHBondContact O-CB 3.03Å; L489-M492 PolarHBondContact O-N 3.23Å; I490-M492 PolarHBondContact O-N 2.82Å; M492-K496 PolarHBondContact O-N 2.85Å
493Y98.9Very high98.9Very high1 Ų13 Ų30%0.0042%0.016CC..Hα-helixtrans-76.5-34.5177.6-81.2-82.3000112.9M337 F347 F351 D404 L406 I476 L489 I490 A491 H495 K496 I497M337-Y493 HydrophobicContact CE-CD1 4.06Å; M337-Y493 HydrophobicContact CE-CD2 4.27Å; M337-Y493 HydrophobicContact CE-CE1 3.7Å; M337-Y493 HydrophobicContact CE-CE2 3.93Å; M337-Y493 HydrophobicContact CE-CG 4.33Å; M337-Y493 HydrophobicContact SD-CE1 4.41Å; F347-Y493 HydrophobicContact CE1-CD2 4.48Å; F347-Y493 HydrophobicContact CE1-CE2 4.23Å; F347-Y493 HydrophobicContact CZ-CD2 4.22Å; F347-Y493 HydrophobicContact CZ-CE2 4.28Å; F351-Y493 HydrophobicContact CE1-CG 4.17Å; F351-Y493 HydrophobicContact CE2-CD2 4.25Å; F351-Y493 HydrophobicContact CE2-CG 4.28Å; F351-Y493 HydrophobicContact CZ-CD2 4.29Å; F351-Y493 HydrophobicContact CZ-CG 4.04Å; D404-Y493 WeakPolarHBondContact CB-OH 3.27Å; D404-Y493 VanDerWaalsContact CG-OH 3.25Å; D404-Y493 VanDerWaalsContact OD2-CE1 3.28Å; D404-Y493 WeakPolarHBondContact OD2-CE1 3.36Å; D404-Y493 PolarHBondContact OD2-OH 3.5Å; L406-Y493 HydrophobicContact CD2-CE2 4.15Å; I476-Y493 HydrophobicContact CD1-CE2 4.37Å; I476-Y493 WeakPolarHBondContact CD1-OH 3.41Å; L489-Y493 WeakPolarHBondContact O-CD2 3.49Å; L489-Y493 PolarHBondContact O-N 2.98Å; I490-Y493 PolarHBondContact O-N 2.89Å; I490-Y493 VanDerWaalsContact O-N 3.12Å; A491-Y493 VanDerWaalsContact C-N 3.31Å; A491-Y493 PolarHBondContact O-N 3.38Å; Y493-H495 VanDerWaalsContact C-N 3.27Å; Y493-H495 PolarHBondContact O-N 3.38Å; Y493-K496 HydrophobicContact CD1-CD 3.76Å; Y493-K496 HydrophobicContact CE1-CD 4.07Å; Y493-K496 WeakPolarHBondContact O-CB 3.45Å; Y493-K496 PolarHBondContact O-N 2.78Å; Y493-I497 WeakPolarHBondContact O-CB 3.33Å; Y493-I497 VanDerWaalsContact O-CD1 3.31Å; Y493-I497 WeakPolarHBondContact O-CD1 3.3Å; Y493-I497 WeakPolarHBondContact O-CG1 3.49Å; Y493-I497 PolarHBondContact O-N 3.4Å
494E98.9Very high98.9Very high3 Ų32.9 Ų2.91%0.0142%0.015CC..Hα-helixtrans-56.1-44.8171.3-67.7176.315600111.1H99 R103 F273 W276 I490 A491 I497 F498H99-E494 IonicContact CD2-OE2 3.76Å; R103-E494 IonicContact CZ-OE2 3.6Å; R103-E494 IonicContact NH1-OE1 2.88Å; R103-E494 IonicContact NH1-OE2 2.87Å; R103-E494 PolarHBondContact NH1-OE2 3.15Å; R103-E494 IonicContact NH2-OE2 2.74Å; R103-E494 PolarHBondContact NH2-OE2 2.9Å; F273-E494 HydrophobicContact CD1-CB 4.26Å; F273-E494 HydrophobicContact CD1-CG 3.76Å; F273-E494 HydrophobicContact CE1-CB 4Å; F273-E494 HydrophobicContact CE1-CG 3.83Å; W276-E494 PolarHBondContact NE1-OE1 2.94Å; I490-E494 HydrophobicContact CG2-CG 4.39Å; I490-E494 WeakPolarHBondContact O-CG 3.15Å; I490-E494 PolarHBondContact O-N 3.31Å; A491-E494 PolarHBondContact O-N 2.99Å; E494-I497 PolarHBondContact O-N 3.1Å; E494-F498 PolarHBondContact O-N 2.9Å
495H98.9Very high98.9Very high0 Ų02.8 Ų2.80%02%0.015CC..Hα-helixtrans-72.4-33.2177.5-65.8-39.7000113D303 F306 P316 A491 Y493 I497 F498 V499D303-H495 IonicContact OD1-CD2 2.71Å; D303-H495 IonicContact OD1-CE1 2.64Å; D303-H495 PolarHBondContact OD1-CE1 3.32Å; D303-H495 IonicContact OD1-NE2 3.25Å; D303-H495 PolarHBondContact OD1-NE2 2.94Å; F306-H495 HydrophobicContact CB-CB 4.39Å; F306-H495 HydrophobicContact CD1-CB 3.82Å; F306-H495 AromaticContact CD1-CD2 3.65Å; F306-H495 AromaticContact CD1-CE1 3.67Å; F306-H495 AromaticContact CD1-CG 3.29Å; F306-H495 AromaticContact CD1-ND1 3.29Å; F306-H495 VanDerWaalsContact CD1-ND1 3.29Å; F306-H495 WeakPolarHBondContact CD1-ND1 3.33Å; F306-H495 AromaticContact CD1-NE2 3.86Å; F306-H495 HydrophobicContact CD2-CB 3.98Å; F306-H495 HydrophobicContact CE1-CB 4.06Å; F306-H495 AromaticContact CE1-CG 3.79Å; F306-H495 AromaticContact CE1-ND1 3.51Å; F306-H495 HydrophobicContact CE2-CB 4.24Å; F306-H495 HydrophobicContact CG-CB 3.78Å; F306-H495 AromaticContact CG-CD2 3.77Å; F306-H495 AromaticContact CG-CG 3.59Å; F306-H495 HydrophobicContact CZ-CB 4.29Å; P316-H495 HydrophobicContact CB-CB 3.51Å; P316-H495 HydrophobicContact CG-CB 3.81Å; A491-H495 PolarHBondContact O-CD2 3.46Å; A491-H495 PolarHBondContact O-N 3.03Å; Y493-H495 VanDerWaalsContact C-N 3.27Å; Y493-H495 PolarHBondContact O-N 3.38Å; H495-I497 VanDerWaalsContact C-N 3.34Å; H495-F498 PolarHBondContact O-N 3.49Å; H495-V499 VanDerWaalsContact O-CG2 3.29Å; H495-V499 WeakPolarHBondContact O-CG2 3.14Å; H495-V499 PolarHBondContact O-N 2.86Å
496K98.9Very high98.8Very high4 Ų43.1 Ų3.12%0.0172%0.017CC..Hα-helixtrans-56.1-50.8169.7177.2-158174-172.30110.2L319 A320 H335 M492 Y493 F498 V499 Q500L319-K496 HydrophobicContact CB-CB 4.43Å; L319-K496 HydrophobicContact CB-CD 4.09Å; L319-K496 HydrophobicContact CB-CG 3.95Å; A320-K496 HydrophobicContact CB-CG 4.07Å; A320-K496 WeakPolarHBondContact CB-O 3.45Å; H335-K496 PolarHBondContact NE2-NZ 2.93Å; M492-K496 PolarHBondContact O-N 2.85Å; Y493-K496 HydrophobicContact CD1-CD 3.76Å; Y493-K496 HydrophobicContact CE1-CD 4.07Å; Y493-K496 WeakPolarHBondContact O-CB 3.45Å; Y493-K496 PolarHBondContact O-N 2.78Å; K496-F498 VanDerWaalsContact C-N 3.33Å; K496-F498 PolarHBondContact O-N 3.3Å; K496-V499 PolarHBondContact O-N 3.49Å; K496-Q500 WeakPolarHBondContact O-CG 3.41Å; K496-Q500 PolarHBondContact O-N 3.11Å; K496-Q500 VanDerWaalsContact O-N 3.1Å
497I98.9Very high98.8Very high1 Ų13.4 Ų3.41%0.0052%0.018CC..Hα-helixtrans-60.5-43.9-179.3-69.6158.7000110.5F351 D355 S358 N359 Y493 E494 H495 Q500 G501F351-I497 HydrophobicContact CD1-CD1 4.04Å; F351-I497 HydrophobicContact CE1-CD1 4.25Å; D355-I497 HydrophobicContact CB-CD1 3.95Å; D355-I497 HydrophobicContact CB-CG1 4.08Å; S358-I497 VanDerWaalsContact CB-CG2 3.49Å; N359-I497 PolarHBondContact ND2-O 3.03Å; Y493-I497 WeakPolarHBondContact O-CB 3.33Å; Y493-I497 VanDerWaalsContact O-CD1 3.31Å; Y493-I497 WeakPolarHBondContact O-CD1 3.3Å; Y493-I497 WeakPolarHBondContact O-CG1 3.49Å; Y493-I497 PolarHBondContact O-N 3.4Å; E494-I497 PolarHBondContact O-N 3.1Å; H495-I497 VanDerWaalsContact C-N 3.34Å; I497-Q500 PolarHBondContact O-N 2.96Å; I497-G501 PolarHBondContact O-N 2.97Å
498F98.9Very high98.8Very high6 Ų63.6 Ų3.63%0.0262%0.019CC..Hα-helixtrans-58.4-50.7175.5168.8-102000112.4A79 R80 M83 I89 F306 E494 H495 K496 Q500 G501 V502 F509A79-F498 HydrophobicContact CB-CZ 4.04Å; R80-F498 HydrophobicContact CB-CE1 4.11Å; M83-F498 HydrophobicContact CB-CE2 4.38Å; M83-F498 HydrophobicContact CB-CZ 4.41Å; M83-F498 HydrophobicContact SD-CD2 3.98Å; M83-F498 HydrophobicContact SD-CE2 4.09Å; M83-F498 HydrophobicContact SD-CG 4.3Å; I89-F498 HydrophobicContact CD1-CE2 4Å; F306-F498 AromaticContact CE1-CD1 3.99Å; F306-F498 HydrophobicContact CE1-CD1 3.99Å; F306-F498 HydrophobicContact CE1-CE1 4.23Å; F306-F498 AromaticContact CZ-CD1 3.63Å; F306-F498 HydrophobicContact CZ-CD1 3.63Å; F306-F498 AromaticContact CZ-CE1 3.87Å; F306-F498 HydrophobicContact CZ-CE1 3.87Å; E494-F498 PolarHBondContact O-N 2.9Å; H495-F498 PolarHBondContact O-N 3.49Å; K496-F498 VanDerWaalsContact C-N 3.33Å; K496-F498 PolarHBondContact O-N 3.3Å; F498-Q500 VanDerWaalsContact C-N 3.32Å; F498-Q500 PolarHBondContact O-N 3.34Å; F498-G501 PolarHBondContact O-N 3.27Å; F498-V502 HydrophobicContact CD1-CG2 4.49Å; F498-V502 HydrophobicContact CD2-CG2 4.05Å; F498-V502 HydrophobicContact CE1-CG2 4.04Å; F498-V502 HydrophobicContact CE2-CG2 3.6Å; F498-V502 HydrophobicContact CZ-CG2 3.59Å; F498-V502 WeakPolarHBondContact O-CG2 3.28Å; F498-V502 PolarHBondContact O-N 2.9Å; F498-F509 AromaticContact CD2-CE2 3.88Å; F498-F509 HydrophobicContact CD2-CE2 3.88Å; F498-F509 AromaticContact CD2-CZ 3.65Å; F498-F509 HydrophobicContact CD2-CZ 3.65Å; F498-F509 HydrophobicContact CE2-CE2 4.26Å; F498-F509 HydrophobicContact CE2-CZ 4.38Å
499V98.9Very high98.8Very high0 Ų04.4 Ų4.40%02%0.023CC..Hα-helixtrans-58.9-45.5-178.9172.20000110.6I76 F306 V317 A320 H495 K496 G501 V502 M503I76-V499 HydrophobicContact CD1-CG1 3.96Å; I76-V499 HydrophobicContact CG1-CG1 4.28Å; I76-V499 HydrophobicContact CG2-CG1 4.35Å; I76-V499 HydrophobicContact CG2-CG2 4.11Å; F306-V499 HydrophobicContact CE2-CG2 3.66Å; F306-V499 HydrophobicContact CZ-CG2 3.93Å; V317-V499 HydrophobicContact CG2-CG2 4.01Å; A320-V499 HydrophobicContact CB-CB 3.6Å; A320-V499 HydrophobicContact CB-CG1 3.46Å; A320-V499 VanDerWaalsContact CB-CG1 3.46Å; H495-V499 VanDerWaalsContact O-CG2 3.29Å; H495-V499 WeakPolarHBondContact O-CG2 3.14Å; H495-V499 PolarHBondContact O-N 2.86Å; K496-V499 PolarHBondContact O-N 3.49Å; V499-G501 PolarHBondContact O-N 3.4Å; V499-V502 PolarHBondContact O-N 3.26Å; V499-M503 HydrophobicContact CG1-SD 4.13Å; V499-M503 WeakPolarHBondContact O-CG 3.16Å; V499-M503 PolarHBondContact O-N 3.39Å
500Q98.9Very high98.8Very high1 Ų14.9 Ų4.91%0.0053%0.026CC..Hα-helixtrans-61.3-43.8177.1-66.8-175.2-44.200112.4A320 I324 K496 I497 F498 V502 M503 W504A320-Q500 HydrophobicContact CB-CG 3.7Å; A320-Q500 PolarHBondContact O-NE2 2.94Å; I324-Q500 HydrophobicContact CD1-CG 4.44Å; I324-Q500 HydrophobicContact CG1-CG 4.46Å; K496-Q500 WeakPolarHBondContact O-CG 3.41Å; K496-Q500 PolarHBondContact O-N 3.11Å; K496-Q500 VanDerWaalsContact O-N 3.1Å; I497-Q500 PolarHBondContact O-N 2.96Å; F498-Q500 VanDerWaalsContact C-N 3.32Å; F498-Q500 PolarHBondContact O-N 3.34Å; Q500-V502 PolarHBondContact O-N 3.18Å; Q500-M503 PolarHBondContact O-N 3.05Å; Q500-W504 HydrophobicContact CB-CE3 3.93Å; Q500-W504 HydrophobicContact CB-CH2 3.83Å; Q500-W504 HydrophobicContact CB-CZ2 4.45Å; Q500-W504 HydrophobicContact CB-CZ3 3.54Å; Q500-W504 HydrophobicContact CG-CH2 4.3Å; Q500-W504 HydrophobicContact CG-CZ3 4.46Å; Q500-W504 VanDerWaalsContact O-CD2 3.3Å; Q500-W504 VanDerWaalsContact O-CE3 3.28Å; Q500-W504 PolarHBondContact O-N 3.24Å
501G98.8Very high98.6Very high1 Ų17.7 Ų7.71%0.014%0.039CC..Hα-helixtrans-60-43.5177.700000113.5I497 F498 V499 W504 E505 I506 S508I497-G501 PolarHBondContact O-N 2.97Å; F498-G501 PolarHBondContact O-N 3.27Å; V499-G501 PolarHBondContact O-N 3.4Å; G501-W504 CarbonylContact O-C 3.36Å; G501-W504 PolarHBondContact O-N 3.29Å; G501-E505 PolarHBondContact O-N 2.97Å; G501-E505 VanDerWaalsContact O-N 3.09Å; G501-I506 WeakPolarHBondContact O-CG1 3.49Å; G501-I506 PolarHBondContact O-N 3.16Å; G501-S508 WeakPolarHBondContact CA-OG 3.43Å
502V98.7Very high98.6Very high28 Ų2813.4 Ų13.417%0.176%0.06CC..Hα-helixtrans-63.5-44.1175.3176.80000111.1I76 A79 F498 V499 Q500 W504 E505I76-V502 HydrophobicContact CD1-CB 3.65Å; I76-V502 HydrophobicContact CD1-CG1 3.54Å; A79-V502 HydrophobicContact CB-CB 4.38Å; A79-V502 HydrophobicContact CB-CG1 3.59Å; A79-V502 HydrophobicContact CB-CG2 3.83Å; F498-V502 HydrophobicContact CD1-CG2 4.49Å; F498-V502 HydrophobicContact CD2-CG2 4.05Å; F498-V502 HydrophobicContact CE1-CG2 4.04Å; F498-V502 HydrophobicContact CE2-CG2 3.6Å; F498-V502 HydrophobicContact CZ-CG2 3.59Å; F498-V502 WeakPolarHBondContact O-CG2 3.28Å; F498-V502 PolarHBondContact O-N 2.9Å; V499-V502 PolarHBondContact O-N 3.26Å; Q500-V502 PolarHBondContact O-N 3.18Å; V502-W504 VanDerWaalsContact C-N 3.28Å; V502-W504 PolarHBondContact O-N 2.66Å; V502-E505 PolarHBondContact O-N 2.96Å
503M98.7Very high98.5Very high0 Ų017.1 Ų17.10%010%0.099CC..Hα-helixtrans-61-38.1177.9-69.8-178.174.500112.3L70 R74 I76 L321 I324 V499 Q500 E505L70-M503 HydrophobicContact CD2-CE 3.73Å; L70-M503 HydrophobicContact CG-CE 3.76Å; R74-M503 HydrophobicContact CB-CG 4.24Å; R74-M503 HydrophobicContact CG-CG 4.35Å; R74-M503 PolarHBondContact NE-O 2.93Å; I76-M503 HydrophobicContact CD1-CG 3.71Å; I76-M503 HydrophobicContact CG1-CG 4.27Å; L321-M503 HydrophobicContact CD2-CE 3.67Å; L321-M503 HydrophobicContact CD2-SD 3.62Å; I324-M503 HydrophobicContact CB-CE 4.46Å; I324-M503 HydrophobicContact CD1-CB 4.16Å; I324-M503 HydrophobicContact CD1-SD 4.32Å; I324-M503 HydrophobicContact CG1-CE 3.98Å; I324-M503 HydrophobicContact CG1-SD 3.77Å; I324-M503 HydrophobicContact CG2-CE 4.12Å; V499-M503 HydrophobicContact CG1-SD 4.13Å; V499-M503 WeakPolarHBondContact O-CG 3.16Å; V499-M503 PolarHBondContact O-N 3.39Å; Q500-M503 PolarHBondContact O-N 3.05Å; M503-E505 VanDerWaalsContact C-N 3.28Å; M503-E505 PolarHBondContact O-N 3.35Å
504W98.8Very high98.2Very high0 Ų019.7 Ų19.70%011%0.114CC..THydrogen-bonded Turntrans-80.6-1.8176.1-67.6-39.9000114.6I324 I327 N328 N359 Y372 H373 T374 Q500 G501 V502 I506I324-W504 HydrophobicContact CD1-CD2 4.18Å; I324-W504 HydrophobicContact CD1-CH2 4.49Å; I324-W504 HydrophobicContact CD1-CZ2 3.58Å; I324-W504 VanDerWaalsContact CD1-NE1 3.27Å; I327-W504 HydrophobicContact CB-CZ2 4.39Å; I327-W504 HydrophobicContact CD1-CH2 3.7Å; I327-W504 HydrophobicContact CD1-CZ2 3.75Å; I327-W504 HydrophobicContact CG2-CZ2 3.98Å; N328-W504 PolarHBondContact OD1-NE1 3.25Å; N359-W504 HydrophobicContact CB-CE3 4.3Å; N359-W504 HydrophobicContact CB-CZ3 3.82Å; Y372-W504 AromaticContact CD2-CD1 3.84Å; Y372-W504 HydrophobicContact CE2-CB 3.98Å; Y372-W504 AromaticContact CE2-CD1 3.76Å; Y372-W504 HydrophobicContact CE2-CG 4.15Å; Y372-W504 PolarHBondContact OH-O 2.87Å; H373-W504 PolarHBondContact O-NE1 2.9Å; T374-W504 HydrophobicContact CG2-CB 4.29Å; T374-W504 HydrophobicContact CG2-CD2 4.31Å; T374-W504 HydrophobicContact CG2-CG 4.19Å; T374-W504 WeakPolarHBondContact O-CH2 3.45Å; Q500-W504 HydrophobicContact CB-CE3 3.93Å; Q500-W504 HydrophobicContact CB-CH2 3.83Å; Q500-W504 HydrophobicContact CB-CZ2 4.45Å; Q500-W504 HydrophobicContact CB-CZ3 3.54Å; Q500-W504 HydrophobicContact CG-CH2 4.3Å; Q500-W504 HydrophobicContact CG-CZ3 4.46Å; Q500-W504 VanDerWaalsContact O-CD2 3.3Å; Q500-W504 VanDerWaalsContact O-CE3 3.28Å; Q500-W504 PolarHBondContact O-N 3.24Å; G501-W504 CarbonylContact O-C 3.36Å; G501-W504 PolarHBondContact O-N 3.29Å; V502-W504 VanDerWaalsContact C-N 3.28Å; V502-W504 PolarHBondContact O-N 2.66Å; W504-I506 HydrophobicContact CB-CD1 4.29Å; W504-I506 HydrophobicContact CB-CG1 4.03Å; W504-I506 HydrophobicContact CB-CG2 4.24Å; W504-I506 HydrophobicContact CE3-CD1 3.93Å; W504-I506 PolarHBondContact O-N 3.4Å
505E98Very high97.9Very high11 Ų1123.6 Ų23.65%0.05113%0.133CC..THydrogen-bonded Turntrans60.922.8-176.4-59.4176.3141.900114.2M1 G2 R74 T364 N365 G501 V502 M503M1-E505 VanDerWaalsContact O-OE1 3.12Å; G2-E505 VanDerWaalsContact CA-OE2 3.28Å; G2-E505 WeakPolarHBondContact CA-OE2 3.44Å; R74-E505 IonicContact CZ-OE1 2.84Å; R74-E505 IonicContact NH1-OE1 3.28Å; R74-E505 PolarHBondContact NH1-OE1 2.88Å; R74-E505 IonicContact NH2-OE1 3.8Å; R74-E505 PolarHBondContact NH2-OE1 3.38Å; T364-E505 CarbonylContact C-O 3.45Å; T364-E505 WeakPolarHBondContact CA-O 3.48Å; T364-E505 WeakPolarHBondContact CB-O 3.39Å; T364-E505 HydrophobicContact CG2-CB 4.06Å; N365-E505 PolarHBondContact N-O 3.38Å; G501-E505 PolarHBondContact O-N 2.97Å; G501-E505 VanDerWaalsContact O-N 3.09Å; V502-E505 PolarHBondContact O-N 2.96Å; M503-E505 VanDerWaalsContact C-N 3.28Å; M503-E505 PolarHBondContact O-N 3.35Å
506I98.7Very high97.6Very high10 Ų1028.9 Ų28.95%0.05116%0.16CC..BIsolated β-bridgetrans-98.7163.8-177.660.7173000111.5N359 K361 V370 T374 G501 W504 S508N359-I506 HydrophobicContact CB-CD1 3.98Å; K361-I506 HydrophobicContact CB-CB 4Å; K361-I506 HydrophobicContact CB-CD1 3.91Å; K361-I506 HydrophobicContact CB-CG2 4.06Å; K361-I506 HydrophobicContact CG-CB 4.47Å; K361-I506 HydrophobicContact CG-CD1 4.1Å; V370-I506 HydrophobicContact CG1-CG2 4.38Å; T374-I506 HydrophobicContact CG2-CD1 4.47Å; T374-I506 HydrophobicContact CG2-CG2 4.36Å; G501-I506 WeakPolarHBondContact O-CG1 3.49Å; G501-I506 PolarHBondContact O-N 3.16Å; W504-I506 HydrophobicContact CB-CD1 4.29Å; W504-I506 HydrophobicContact CB-CG1 4.03Å; W504-I506 HydrophobicContact CB-CG2 4.24Å; W504-I506 HydrophobicContact CE3-CD1 3.93Å; W504-I506 PolarHBondContact O-N 3.4Å; I506-S508 PolarHBondContact O-N 2.79Å
507N98.7Very high97.4Very high6 Ų631 Ų313%0.03218%0.183CC..  trans-85.9105.8170.1-168.3-3.8000110.9N90 F91 T92 K361 F509 D510N90-N507 PolarHBondContact OD1-ND2 2.91Å; F91-N507 HydrophobicContact CD1-CB 4.5Å; F91-N507 HydrophobicContact CE1-CB 3.68Å; F91-N507 HydrophobicContact CE2-CB 4.27Å; F91-N507 HydrophobicContact CZ-CB 3.54Å; T92-N507 PolarHBondContact OG1-ND2 2.94Å; K361-N507 PolarHBondContact NZ-O 2.91Å; N507-F509 PolarHBondContact O-N 3.29Å; N507-F509 WeakPolarHBondContact OD1-CB 3.35Å; N507-F509 PolarHBondContact OD1-N 3.17Å; N507-D510 WeakPolarHBondContact CB-OD2 3.41Å; N507-D510 WeakPolarHBondContact ND2-CB 3.05Å; N507-D510 VanDerWaalsContact ND2-CG 3.25Å; N507-D510 PolarHBondContact ND2-OD2 3.47Å
508S98.8Very high97Very high3 Ų336.4 Ų36.42%0.02121%0.207CC..THydrogen-bonded Turntrans-70.9-6.1174.7-61.40000114.1R272 S358 N359 G501 I506R272-S508 PolarHBondContact NH2-O 3.42Å; S358-S508 VanDerWaalsContact CA-O 3.3Å; S358-S508 WeakPolarHBondContact CA-O 3.45Å; S358-S508 VanDerWaalsContact CB-O 3.23Å; S358-S508 WeakPolarHBondContact CB-O 3.38Å; S358-S508 WeakPolarHBondContact O-CA 3.43Å; S358-S508 PolarHBondContact OG-O 3.14Å; N359-S508 WeakPolarHBondContact OD1-CB 3.43Å; N359-S508 PolarHBondContact OD1-OG 2.89Å; G501-S508 WeakPolarHBondContact CA-OG 3.43Å; I506-S508 PolarHBondContact O-N 2.79Å
509F98.6Very high96.8Very high18 Ų1841.4 Ų41.48%0.07923%0.23CC..THydrogen-bonded Turntrans-119.2-6-163-55.7-65.6000115.1M83 I89 N90 V97 F273 F498 N507M83-F509 HydrophobicContact SD-CZ 4.34Å; I89-F509 HydrophobicContact CD1-CD2 4.31Å; I89-F509 HydrophobicContact CD1-CE2 3.74Å; I89-F509 HydrophobicContact CD1-CZ 4.48Å; I89-F509 HydrophobicContact CG1-CD2 4.46Å; I89-F509 HydrophobicContact CG1-CE2 4.36Å; N90-F509 HydrophobicContact CB-CB 3.95Å; N90-F509 PolarHBondContact ND2-O 3.3Å; V97-F509 HydrophobicContact CB-CD1 4.45Å; V97-F509 HydrophobicContact CB-CD2 4.35Å; V97-F509 HydrophobicContact CB-CE2 4.45Å; V97-F509 HydrophobicContact CB-CG 4.32Å; V97-F509 HydrophobicContact CG1-CD1 3.46Å; V97-F509 VanDerWaalsContact CG1-CD1 3.46Å; V97-F509 HydrophobicContact CG1-CD2 4.07Å; V97-F509 HydrophobicContact CG1-CE1 3.4Å; V97-F509 VanDerWaalsContact CG1-CE1 3.4Å; V97-F509 HydrophobicContact CG1-CE2 3.99Å; V97-F509 HydrophobicContact CG1-CG 3.79Å; V97-F509 HydrophobicContact CG1-CZ 3.64Å; V97-F509 HydrophobicContact CG2-CB 3.83Å; V97-F509 HydrophobicContact CG2-CD1 4.15Å; V97-F509 HydrophobicContact CG2-CD2 3.67Å; V97-F509 HydrophobicContact CG2-CE2 4.22Å; V97-F509 HydrophobicContact CG2-CG 3.59Å; F273-F509 HydrophobicContact CD2-CD1 4.42Å; F273-F509 AromaticContact CE2-CD1 3.84Å; F273-F509 HydrophobicContact CE2-CD1 3.84Å; F273-F509 AromaticContact CE2-CE1 3.96Å; F273-F509 HydrophobicContact CE2-CE1 3.96Å; F273-F509 HydrophobicContact CZ-CD1 4.4Å; F273-F509 HydrophobicContact CZ-CE1 4.08Å; F498-F509 AromaticContact CD2-CE2 3.88Å; F498-F509 HydrophobicContact CD2-CE2 3.88Å; F498-F509 AromaticContact CD2-CZ 3.65Å; F498-F509 HydrophobicContact CD2-CZ 3.65Å; F498-F509 HydrophobicContact CE2-CE2 4.26Å; F498-F509 HydrophobicContact CE2-CZ 4.38Å; N507-F509 PolarHBondContact O-N 3.29Å; N507-F509 WeakPolarHBondContact OD1-CB 3.35Å; N507-F509 PolarHBondContact OD1-N 3.17Å
510D97.9Very high96.6Very high10 Ų1045.1 Ų45.15%0.05325%0.25CC..  trans-96.8178.2167.668.524.2000112.3T92 E93 R272 K361 N507T92-D510 WeakPolarHBondContact CB-OD2 3.09Å; T92-D510 VanDerWaalsContact CG2-OD2 3.28Å; T92-D510 WeakPolarHBondContact CG2-OD2 3.42Å; T92-D510 WeakPolarHBondContact OG1-CB 3.42Å; T92-D510 PolarHBondContact OG1-OD2 3.42Å; E93-D510 HydrophobicContact CG-CB 4.47Å; R272-D510 PolarHBondContact NH2-O 3.41Å; K361-D510 PolarHBondContact NZ-O 3.21Å; K361-D510 IonicContact NZ-OD1 3.64Å; K361-D510 PolarHBondContact NZ-OD1 3.22Å; N507-D510 WeakPolarHBondContact CB-OD2 3.41Å; N507-D510 WeakPolarHBondContact ND2-CB 3.05Å; N507-D510 VanDerWaalsContact ND2-CG 3.25Å; N507-D510 PolarHBondContact ND2-OD2 3.47Å
511Q96.5Very high96.4Very high58 Ų5847.4 Ų47.427%0.27127%0.268SS..  trans-155.545.1176.760.6-77.4-36.900113.2E357 G513 V514E357-Q511 HydrophobicContact CG-CB 4.03Å; Q511-G513 PolarHBondContact O-N 2.88Å; Q511-V514 HydrophobicContact CB-CG1 4.42Å; Q511-V514 HydrophobicContact CG-CG2 4.34Å; Q511-V514 WeakPolarHBondContact O-CG2 3.42Å; Q511-V514 PolarHBondContact O-N 2.8Å
512W97.4Very high96.2Very high120 Ų12054.1 Ų54.146%0.45530%0.298SS..G310 helixtrans-55.1-25.2-177.1-64.7109.4000114.7T92 E93 V514 E515T92-W512 PolarHBondContact OG1-NE1 3.41Å; T92-W512 VanDerWaalsContact OG1-NE1 3.1Å; E93-W512 HydrophobicContact CG-CZ2 3.96Å; W512-V514 PolarHBondContact O-N 3.2Å; W512-E515 VanDerWaalsContact CE3-CD 3.46Å; W512-E515 HydrophobicContact CE3-CG 4.39Å; W512-E515 WeakPolarHBondContact CZ3-OE1 3.31Å; W512-E515 PolarHBondContact O-N 3Å
513G96.7Very high96Very high79 Ų7959.2 Ų59.281%0.81432%0.317SS*.G310 helixtrans-60.2-16.4178.600000115.4Q511Q511-G513 PolarHBondContact O-N 2.88Å
514V93.6Very high95.9Very high54 Ų5461.3 Ų61.333%0.32733%0.328SS..G310 helixtrans-84-10.2179.9-50.60000113.8Q511 W512 K518Q511-V514 HydrophobicContact CB-CG1 4.42Å; Q511-V514 HydrophobicContact CG-CG2 4.34Å; Q511-V514 WeakPolarHBondContact O-CG2 3.42Å; Q511-V514 PolarHBondContact O-N 2.8Å; W512-V514 PolarHBondContact O-N 3.2Å; V514-K518 WeakPolarHBondContact O-CG 3.35Å
515E92.4Very high95.8Very high85 Ų8565.7 Ų65.740%0.39735%0.349SS..Hα-helixtrans-75.4-41.4-169.8-66.3-164.2150.900113.9W512 G517 K518 Q519W512-E515 VanDerWaalsContact CE3-CD 3.46Å; W512-E515 HydrophobicContact CE3-CG 4.39Å; W512-E515 WeakPolarHBondContact CZ3-OE1 3.31Å; W512-E515 PolarHBondContact O-N 3Å; E515-G517 PolarHBondContact O-N 2.81Å; E515-K518 WeakPolarHBondContact O-CB 3.34Å; E515-K518 PolarHBondContact O-N 3.42Å; E515-K518 VanDerWaalsContact O-N 3.14Å; E515-Q519 WeakPolarHBondContact O-CG 3.43Å; E515-Q519 PolarHBondContact O-N 3.18Å
516L93.6Very high95.7Very high111 Ų11168.2 Ų68.258%0.58137%0.366SS*.Hα-helixtrans-59.8-46.9-175.4179.260.6000111.5K518 Q519 L520L516-K518 VanDerWaalsContact C-N 3.31Å; L516-K518 PolarHBondContact O-N 2.94Å; L516-Q519 PolarHBondContact O-N 3.38Å; L516-L520 HydrophobicContact CD1-CD1 4.06Å; L516-L520 HydrophobicContact CD1-CG 4.11Å; L516-L520 HydrophobicContact CG-CD1 4.03Å; L516-L520 HydrophobicContact CG-CG 4.46Å; L516-L520 WeakPolarHBondContact O-CG 3.41Å; L516-L520 PolarHBondContact O-N 3.47Å
517G94.1Very high95.5Very high48 Ų4870 Ų7050%0.49537%0.374SS..Hα-helixtrans-58.3-42.7176.500000112.4E515 L520 A521E515-G517 PolarHBondContact O-N 2.81Å; G517-L520 PolarHBondContact O-N 3.24Å; G517-A521 WeakPolarHBondContact O-CB 3.41Å; G517-A521 PolarHBondContact O-N 2.76Å
518K91.3Very high95.4Very high116 Ų11672.7 Ų72.750%0.50439%0.388SS..Hα-helixtrans-64.7-39.7176.9-67.7176.1-177.1176.90112.5V514 E515 L516 K522V514-K518 WeakPolarHBondContact O-CG 3.35Å; E515-K518 WeakPolarHBondContact O-CB 3.34Å; E515-K518 PolarHBondContact O-N 3.42Å; E515-K518 VanDerWaalsContact O-N 3.14Å; L516-K518 VanDerWaalsContact C-N 3.31Å; L516-K518 PolarHBondContact O-N 2.94Å; K518-K522 WeakPolarHBondContact O-CG 3.42Å; K518-K522 PolarHBondContact O-N 2.79Å
519Q93.3Very high95Very high111 Ų11180.5 Ų80.552%0.51942%0.422SS..Hα-helixtrans-66.5-43.4177.6-70.8173.4-4.800111.6E515 L516 K523E515-Q519 WeakPolarHBondContact O-CG 3.43Å; E515-Q519 PolarHBondContact O-N 3.18Å; L516-Q519 PolarHBondContact O-N 3.38Å; Q519-K523 PolarHBondContact O-N 2.97Å
520L95.9Very high94.6Very high78 Ų7884 Ų8441%0.40844%0.441SS..Hα-helixtrans-67.6-44178.5-66.3176.3000111.6L516 G517 K522 K523 I524L516-L520 HydrophobicContact CD1-CD1 4.06Å; L516-L520 HydrophobicContact CD1-CG 4.11Å; L516-L520 HydrophobicContact CG-CD1 4.03Å; L516-L520 HydrophobicContact CG-CG 4.46Å; L516-L520 WeakPolarHBondContact O-CG 3.41Å; L516-L520 PolarHBondContact O-N 3.47Å; G517-L520 PolarHBondContact O-N 3.24Å; L520-K522 VanDerWaalsContact C-N 3.34Å; L520-K522 PolarHBondContact O-N 2.78Å; L520-K523 WeakPolarHBondContact O-CB 3.33Å; L520-K523 PolarHBondContact O-N 2.82Å; L520-I524 WeakPolarHBondContact O-CG1 3.27Å; L520-I524 PolarHBondContact O-N 3Å
521A94.9Very high94.3Very high48 Ų4889.7 Ų89.740%0.39748%0.476SS..Hα-helixtrans-57.9-44.117700000112.2G517 K523 I524 E525G517-A521 WeakPolarHBondContact O-CB 3.41Å; G517-A521 PolarHBondContact O-N 2.76Å; A521-K523 PolarHBondContact O-N 2.98Å; A521-I524 PolarHBondContact O-N 3.47Å; A521-E525 WeakPolarHBondContact O-CB 3.27Å; A521-E525 PolarHBondContact O-N 3.41Å
522K93.1Very high94.1Very high143 Ų14389.5 Ų89.562%0.62249%0.485SS*.Hα-helixtrans-62.2-27.4176-77-177.7178.4-175.20114.1K518 L520 P526K518-K522 WeakPolarHBondContact O-CG 3.42Å; K518-K522 PolarHBondContact O-N 2.79Å; L520-K522 VanDerWaalsContact C-N 3.34Å; L520-K522 PolarHBondContact O-N 2.78Å; K522-P526 WeakPolarHBondContact O-CD 3.29Å
523K95.8Very high94.1Very high135 Ų13588.8 Ų88.859%0.58749%0.487SS*.Hα-helixtrans-78.1-40174.7-70.5-178.8179.2-177.20111.6Q519 L520 A521 P526Q519-K523 PolarHBondContact O-N 2.97Å; L520-K523 WeakPolarHBondContact O-CB 3.33Å; L520-K523 PolarHBondContact O-N 2.82Å; A521-K523 PolarHBondContact O-N 2.98Å; K523-P526 WeakPolarHBondContact O-CD 3.16Å; K523-P526 WeakPolarHBondContact O-CG 3.45Å
524I96.6Very high94.1Very high43 Ų4385.6 Ų85.622%0.22145%0.451CS..Hα-helixtrans-74.8-37.8-178-67.2168.6000111.9L520 A521 E527 L528 T541 I545L520-I524 WeakPolarHBondContact O-CG1 3.27Å; L520-I524 PolarHBondContact O-N 3Å; A521-I524 PolarHBondContact O-N 3.47Å; I524-E527 WeakPolarHBondContact O-CA 3.34Å; I524-E527 WeakPolarHBondContact O-CB 3.32Å; I524-E527 PolarHBondContact O-N 3.37Å; I524-L528 HydrophobicContact CG2-CD1 4.15Å; I524-L528 HydrophobicContact CG2-CG 4.24Å; I524-L528 PolarHBondContact O-N 3.18Å; I524-T541 HydrophobicContact CD1-CG2 4.22Å; I524-I545 HydrophobicContact CG1-CD1 4.5Å; I524-I545 HydrophobicContact CG2-CD1 4.04Å; I524-I545 HydrophobicContact CG2-CG1 4.45Å
525E95.7Very high94.3Very high93 Ų9389.5 Ų89.544%0.43547%0.465SS..Hα-helixtrans-48.9-51.7-177.9-178.6-176.317500114.7Q215 A521 E527 L528Q215-E525 PolarHBondContact NE2-OE1 2.88Å; Q215-E525 PolarHBondContact NE2-OE2 2.65Å; A521-E525 WeakPolarHBondContact O-CB 3.27Å; A521-E525 PolarHBondContact O-N 3.41Å; E525-E527 PolarHBondContact O-N 3.1Å; E525-L528 PolarHBondContact O-N 3.04Å
526P95.7Very high94.6Very high63 Ų6389.1 Ų89.141%0.40947%0.472SS..Hα-helixtrans-66.3-26.5177.527.1-36.2000113.3K522 K523 L528 K529K522-P526 WeakPolarHBondContact O-CD 3.29Å; K523-P526 WeakPolarHBondContact O-CD 3.16Å; K523-P526 WeakPolarHBondContact O-CG 3.45Å; P526-L528 PolarHBondContact O-N 2.73Å; P526-K529 WeakPolarHBondContact O-CB 3.34Å; P526-K529 WeakPolarHBondContact O-CG 3.11Å; P526-K529 PolarHBondContact O-N 3.35Å
527E95.9Very high94.8Very high47 Ų4786.2 Ų86.222%0.2246%0.456CS..Hα-helixtrans-71.4-17.8178.7-59.9174.3158.800111.8I524 E525 K529 V534 S536 H537 K549I524-E527 WeakPolarHBondContact O-CA 3.34Å; I524-E527 WeakPolarHBondContact O-CB 3.32Å; I524-E527 PolarHBondContact O-N 3.37Å; E525-E527 PolarHBondContact O-N 3.1Å; E527-K529 VanDerWaalsContact C-N 3.35Å; E527-V534 HydrophobicContact CB-CG2 4.13Å; E527-S536 PolarHBondContact OE1-OG 2.92Å; E527-H537 VanDerWaalsContact CD-NE2 3.34Å; E527-H537 IonicContact OE1-CE1 3.86Å; E527-H537 IonicContact OE1-NE2 2.85Å; E527-H537 PolarHBondContact OE1-NE2 3.29Å; E527-H537 IonicContact OE2-CD2 2.82Å; E527-H537 IonicContact OE2-CE1 2.66Å; E527-H537 IonicContact OE2-NE2 3.2Å; E527-H537 PolarHBondContact OE2-NE2 2.78Å; E527-K549 WeakPolarHBondContact O-CE 3.37Å; E527-K549 PolarHBondContact O-NZ 3.41Å
528L94.9Very high95Very high64 Ų6488.2 Ų88.234%0.33546%0.455SS..THydrogen-bonded Turntrans-85.8-0.2177.7-64.2174.1000114.1I524 E525 P526 I545 F552I524-L528 HydrophobicContact CG2-CD1 4.15Å; I524-L528 HydrophobicContact CG2-CG 4.24Å; I524-L528 PolarHBondContact O-N 3.18Å; E525-L528 PolarHBondContact O-N 3.04Å; P526-L528 PolarHBondContact O-N 2.73Å; L528-I545 HydrophobicContact CD2-CG1 4.38Å; L528-I545 HydrophobicContact CD2-CG2 3.95Å; L528-F552 HydrophobicContact CD2-CE2 4.46Å
529K91.1Very high95.3Very high167 Ų16787.8 Ų87.873%0.72647%0.467SS*.SBendtrans-77.8-20-171.6-70.3-179.1176.4178.60115.4P526 E527P526-K529 WeakPolarHBondContact O-CB 3.34Å; P526-K529 WeakPolarHBondContact O-CG 3.11Å; P526-K529 PolarHBondContact O-N 3.35Å; E527-K529 VanDerWaalsContact C-N 3.35Å
530D89.7Confident95.6Very high91 Ų9186 Ų8649%0.48747%0.466SS..SBendtrans-134.2-179.2-176.865.835.2000111.5A532 K549D530-A532 WeakPolarHBondContact OD1-CB 3.49Å; D530-A532 PolarHBondContact OD1-N 3.2Å; D530-K549 VanDerWaalsContact O-CD 3.27Å; D530-K549 WeakPolarHBondContact O-CD 3.27Å; D530-K549 WeakPolarHBondContact O-CE 3.37Å; D530-K549 PolarHBondContact O-NZ 3.25Å; D530-K549 IonicContact OD1-NZ 2.81Å; D530-K549 PolarHBondContact OD1-NZ 2.66Å
531T91.1Very high95.7Very high129 Ų12984 Ų8479%0.79146%0.458SS*.SBendtrans-90.81.5-178.454.80000114.4
532A94.3Very high95.9Very high55 Ų5582.6 Ų82.646%0.45544%0.443SS..  trans-67.5137.8-176.500000111.5D530 K549D530-A532 WeakPolarHBondContact OD1-CB 3.49Å; D530-A532 PolarHBondContact OD1-N 3.2Å; A532-K549 WeakPolarHBondContact O-CD 3.37Å; A532-K549 WeakPolarHBondContact O-CE 3.44Å; A532-K549 PolarHBondContact O-NZ 3.07Å
533E96.3Very high96.1Very high105 Ų10577.7 Ų77.749%0.49143%0.433SS..  trans-65.6142.5174.8-69-163.6157.300111.2H535 N546 K550E533-H535 IonicContact OE2-CE1 2.74Å; E533-N546 WeakPolarHBondContact CA-OD1 3.19Å; E533-K550 WeakPolarHBondContact OE1-CE 3.36Å; E533-K550 IonicContact OE1-NZ 2.85Å; E533-K550 PolarHBondContact OE1-NZ 3.22Å
534V97.6Very high96.2Very high11 Ų1176.3 Ų76.37%0.06743%0.432CS..  trans-105.9136.1-178.1179.10000109.9E527 S536 N542 I545 N546E527-V534 HydrophobicContact CB-CG2 4.13Å; V534-S536 VanDerWaalsContact CG1-OG 3.29Å; V534-S536 WeakPolarHBondContact CG1-OG 3.47Å; V534-N542 WeakPolarHBondContact O-CB 3.45Å; V534-I545 HydrophobicContact CB-CG2 3.92Å; V534-I545 HydrophobicContact CG1-CD1 4.21Å; V534-I545 HydrophobicContact CG2-CG2 3.64Å; V534-N546 PolarHBondContact N-OD1 3.07Å; V534-N546 PolarHBondContact O-ND2 2.97Å
535H97.9Very high96.3Very high136 Ų13674.6 Ų74.663%0.6342%0.423SS*.  trans-135.410.8-178.8-54.9-61.1000113.3E533 N542E533-H535 IonicContact OE2-CE1 2.74Å; H535-N542 WeakPolarHBondContact CA-ND2 3.33Å
536S97.8Very high96.3Very high77 Ų7771 Ų7154%0.53841%0.407SS..SBendtrans-80.3-11.6-172.942.80000114.5E527 V534 N542E527-S536 PolarHBondContact OE1-OG 2.92Å; V534-S536 VanDerWaalsContact CG1-OG 3.29Å; V534-S536 WeakPolarHBondContact CG1-OG 3.47Å; S536-N542 PolarHBondContact N-OD1 3.5Å
537H98.1Very high96.4Very high50 Ų5074.3 Ų74.323%0.23142%0.415CS..SBendtrans-116.3-170.7-175.1-52.5-82.4000112.3E527 T541 N542E527-H537 VanDerWaalsContact CD-NE2 3.34Å; E527-H537 IonicContact OE1-CE1 3.86Å; E527-H537 IonicContact OE1-NE2 2.85Å; E527-H537 PolarHBondContact OE1-NE2 3.29Å; E527-H537 IonicContact OE2-CD2 2.82Å; E527-H537 IonicContact OE2-CE1 2.66Å; E527-H537 IonicContact OE2-NE2 3.2Å; E527-H537 PolarHBondContact OE2-NE2 2.78Å; H537-T541 HydrophobicContact CB-CG2 3.69Å; H537-N542 WeakPolarHBondContact CB-OD1 3.37Å; H537-N542 PolarHBondContact N-OD1 3.38Å; H537-N542 PolarHBondContact O-ND2 3.28Å
538D98.4Very high96.4Very high90 Ų9076 Ų7648%0.48143%0.425SS..  trans-62.4161.9167.470.991.2000111.6S540 T541 N542D538-S540 PolarHBondContact O-N 3.16Å; D538-S540 WeakPolarHBondContact OD1-CA 3.19Å; D538-S540 WeakPolarHBondContact OD1-CB 3.38Å; D538-S540 PolarHBondContact OD1-N 3.34Å; D538-T541 PolarHBondContact O-N 3.02Å; D538-T541 PolarHBondContact OD1-N 3.37Å; D538-T541 VanDerWaalsContact OD2-CB 3.27Å; D538-T541 WeakPolarHBondContact OD2-CB 3.46Å; D538-T541 PolarHBondContact OD2-OG1 3.5Å; D538-N542 WeakPolarHBondContact O-CB 3.22Å; D538-N542 VanDerWaalsContact O-CG 3.28Å; D538-N542 PolarHBondContact O-N 2.84Å; D538-N542 PolarHBondContact O-ND2 2.94Å
539S98.4Very high96.4Very high108 Ų10873.9 Ų73.976%0.75541%0.413SS*.Hα-helixtrans-62-27.7-174.757.60000113.7G543S539-G543 PolarHBondContact O-N 2.98Å
540S98.5Very high96.5Very high72 Ų7272.9 Ų72.950%0.50341%0.409SS..Hα-helixtrans-73-52.4176.5-174.90000110.5D538 N542 G543 L544D538-S540 PolarHBondContact O-N 3.16Å; D538-S540 WeakPolarHBondContact OD1-CA 3.19Å; D538-S540 WeakPolarHBondContact OD1-CB 3.38Å; D538-S540 PolarHBondContact OD1-N 3.34Å; S540-N542 VanDerWaalsContact C-N 3.33Å; S540-N542 PolarHBondContact O-N 3.11Å; S540-G543 PolarHBondContact O-N 3.4Å; S540-G543 VanDerWaalsContact O-N 3.16Å; S540-L544 WeakPolarHBondContact O-CG 3.45Å; S540-L544 PolarHBondContact O-N 3.16Å
541T98.4Very high96.6Very high38 Ų3873.7 Ų73.723%0.23341%0.413CS..Hα-helixtrans-58.9-44.9179-58.70000111.4I524 H537 D538 L544 I545I524-T541 HydrophobicContact CD1-CG2 4.22Å; H537-T541 HydrophobicContact CB-CG2 3.69Å; D538-T541 PolarHBondContact O-N 3.02Å; D538-T541 PolarHBondContact OD1-N 3.37Å; D538-T541 VanDerWaalsContact OD2-CB 3.27Å; D538-T541 WeakPolarHBondContact OD2-CB 3.46Å; D538-T541 PolarHBondContact OD2-OG1 3.5Å; T541-L544 PolarHBondContact O-N 2.97Å; T541-I545 HydrophobicContact CG2-CD1 3.93Å; T541-I545 WeakPolarHBondContact O-CG1 3.38Å; T541-I545 PolarHBondContact O-N 2.91Å
542N98.3Very high96.1Very high18 Ų1873.6 Ų73.610%0.09640%0.402CS..Hα-helixtrans-60.1-48.5174.7-68.6-24.3000111.7V534 H535 S536 H537 D538 S540 L544 I545 N546V534-N542 WeakPolarHBondContact O-CB 3.45Å; H535-N542 WeakPolarHBondContact CA-ND2 3.33Å; S536-N542 PolarHBondContact N-OD1 3.5Å; H537-N542 WeakPolarHBondContact CB-OD1 3.37Å; H537-N542 PolarHBondContact N-OD1 3.38Å; H537-N542 PolarHBondContact O-ND2 3.28Å; D538-N542 WeakPolarHBondContact O-CB 3.22Å; D538-N542 VanDerWaalsContact O-CG 3.28Å; D538-N542 PolarHBondContact O-N 2.84Å; D538-N542 PolarHBondContact O-ND2 2.94Å; S540-N542 VanDerWaalsContact C-N 3.33Å; S540-N542 PolarHBondContact O-N 3.11Å; N542-L544 VanDerWaalsContact C-N 3.31Å; N542-L544 PolarHBondContact O-N 3.03Å; N542-I545 PolarHBondContact O-N 3.18Å; N542-N546 WeakPolarHBondContact O-CB 3.4Å; N542-N546 PolarHBondContact O-N 3.36Å; N542-N546 PolarHBondContact O-ND2 2.86Å; N542-N546 VanDerWaalsContact O-ND2 3.14Å
543G98.1Very high94.2Very high40 Ų4079.2 Ų79.241%0.41245%0.448SS..Hα-helixtrans-59.3-41179.500000112.7S539 S540 F547S539-G543 PolarHBondContact O-N 2.98Å; S540-G543 PolarHBondContact O-N 3.4Å; S540-G543 VanDerWaalsContact O-N 3.16Å; G543-F547 VanDerWaalsContact O-CB 3.27Å; G543-F547 WeakPolarHBondContact O-CB 3.37Å; G543-F547 PolarHBondContact O-N 3.45Å
544L98.1Very high94.1Very high105 Ų10577.9 Ų77.955%0.5545%0.446SS..Hα-helixtrans-66.8-47.9176.7-70.7170.5000112S540 T541 N542 N546 F547 L548S540-L544 WeakPolarHBondContact O-CG 3.45Å; S540-L544 PolarHBondContact O-N 3.16Å; T541-L544 PolarHBondContact O-N 2.97Å; N542-L544 VanDerWaalsContact C-N 3.31Å; N542-L544 PolarHBondContact O-N 3.03Å; L544-N546 VanDerWaalsContact C-N 3.31Å; L544-N546 PolarHBondContact O-N 3.28Å; L544-F547 PolarHBondContact O-N 3.12Å; L544-L548 WeakPolarHBondContact O-CB 3.36Å; L544-L548 VanDerWaalsContact O-CG 3.3Å; L544-L548 WeakPolarHBondContact O-CG 3.39Å; L544-L548 PolarHBondContact O-N 3.02Å
545I97.6Very high93.9Very high8 Ų881.4 Ų81.44%0.04147%0.466CS..Hα-helixtrans-58.3-46.8176.5-69.8168000110.2I524 L528 V534 T541 N542 F547 L548 K549I524-I545 HydrophobicContact CG1-CD1 4.5Å; I524-I545 HydrophobicContact CG2-CD1 4.04Å; I524-I545 HydrophobicContact CG2-CG1 4.45Å; L528-I545 HydrophobicContact CD2-CG1 4.38Å; L528-I545 HydrophobicContact CD2-CG2 3.95Å; V534-I545 HydrophobicContact CB-CG2 3.92Å; V534-I545 HydrophobicContact CG1-CD1 4.21Å; V534-I545 HydrophobicContact CG2-CG2 3.64Å; T541-I545 HydrophobicContact CG2-CD1 3.93Å; T541-I545 WeakPolarHBondContact O-CG1 3.38Å; T541-I545 PolarHBondContact O-N 2.91Å; N542-I545 PolarHBondContact O-N 3.18Å; I545-F547 PolarHBondContact O-N 3.06Å; I545-L548 PolarHBondContact O-N 2.71Å; I545-K549 HydrophobicContact CG2-CD 4.25Å; I545-K549 HydrophobicContact CG2-CG 4.37Å; I545-K549 WeakPolarHBondContact O-CG 3.34Å; I545-K549 PolarHBondContact O-N 3.01Å
546N97.3Very high93.7Very high17 Ų1778.4 Ų78.49%0.09146%0.457CS..Hα-helixtrans-68-35.7-178.8-65.5-23.3000112.3E533 V534 N542 L544 K550E533-N546 WeakPolarHBondContact CA-OD1 3.19Å; V534-N546 PolarHBondContact N-OD1 3.07Å; V534-N546 PolarHBondContact O-ND2 2.97Å; N542-N546 WeakPolarHBondContact O-CB 3.4Å; N542-N546 PolarHBondContact O-N 3.36Å; N542-N546 PolarHBondContact O-ND2 2.86Å; N542-N546 VanDerWaalsContact O-ND2 3.14Å; L544-N546 VanDerWaalsContact C-N 3.31Å; L544-N546 PolarHBondContact O-N 3.28Å; N546-K550 WeakPolarHBondContact O-CG 3.35Å; N546-K550 PolarHBondContact O-N 3.33Å; N546-K550 VanDerWaalsContact O-N 3.17Å
547F96.9Very high93.4Very high132 Ų13278.5 Ų78.558%0.57945%0.452SS*.Hα-helixtrans-62.6-46.6171.5-178.5-91.6000111G543 L544 I545 K550 N551G543-F547 VanDerWaalsContact O-CB 3.27Å; G543-F547 WeakPolarHBondContact O-CB 3.37Å; G543-F547 PolarHBondContact O-N 3.45Å; L544-F547 PolarHBondContact O-N 3.12Å; I545-F547 PolarHBondContact O-N 3.06Å; F547-K550 PolarHBondContact O-N 3.25Å; F547-N551 PolarHBondContact O-N 3.16Å; F547-N551 PolarHBondContact O-ND2 3.09Å
548L96.4Very high93.1Very high82 Ų8280.3 Ų80.343%0.42947%0.466SS..Hα-helixtrans-62.1-47.1177.5-70.3170000111.3L544 I545 K550 N551 F552L544-L548 WeakPolarHBondContact O-CB 3.36Å; L544-L548 VanDerWaalsContact O-CG 3.3Å; L544-L548 WeakPolarHBondContact O-CG 3.39Å; L544-L548 PolarHBondContact O-N 3.02Å; I545-L548 PolarHBondContact O-N 2.71Å; L548-K550 PolarHBondContact O-N 3.11Å; L548-N551 CarbonylContact O-C 3.39Å; L548-N551 WeakPolarHBondContact O-CA 3.37Å; L548-N551 PolarHBondContact O-N 2.82Å; L548-F552 VanDerWaalsContact C-CD2 3.43Å; L548-F552 HydrophobicContact CB-CD2 4.04Å; L548-F552 HydrophobicContact CB-CE2 3.64Å; L548-F552 WeakPolarHBondContact O-CD2 3.1Å; L548-F552 PolarHBondContact O-N 3.46Å
549K94.1Very high92.8Very high21 Ų2179.6 Ų79.69%0.09147%0.465CS..Hα-helixtrans-57-33.2176.7-75.2-171.6173.9-156.10113.8E527 D530 A532 I545 N551E527-K549 WeakPolarHBondContact O-CE 3.37Å; E527-K549 PolarHBondContact O-NZ 3.41Å; D530-K549 VanDerWaalsContact O-CD 3.27Å; D530-K549 WeakPolarHBondContact O-CD 3.27Å; D530-K549 WeakPolarHBondContact O-CE 3.37Å; D530-K549 PolarHBondContact O-NZ 3.25Å; D530-K549 IonicContact OD1-NZ 2.81Å; D530-K549 PolarHBondContact OD1-NZ 2.66Å; A532-K549 WeakPolarHBondContact O-CD 3.37Å; A532-K549 WeakPolarHBondContact O-CE 3.44Å; A532-K549 PolarHBondContact O-NZ 3.07Å; I545-K549 HydrophobicContact CG2-CD 4.25Å; I545-K549 HydrophobicContact CG2-CG 4.37Å; I545-K549 WeakPolarHBondContact O-CG 3.34Å; I545-K549 PolarHBondContact O-N 3.01Å; K549-N551 VanDerWaalsContact C-N 3.26Å; K549-N551 PolarHBondContact O-N 2.87Å
550K93.6Very high92.4Very high145 Ų14577.6 Ų77.663%0.6344%0.444SS*.Hα-helixtrans-72.9-18.2175.2-73.3172.3-174.1171.60113.4E533 N546 F547 L548E533-K550 WeakPolarHBondContact OE1-CE 3.36Å; E533-K550 IonicContact OE1-NZ 2.85Å; E533-K550 PolarHBondContact OE1-NZ 3.22Å; N546-K550 WeakPolarHBondContact O-CG 3.35Å; N546-K550 PolarHBondContact O-N 3.33Å; N546-K550 VanDerWaalsContact O-N 3.17Å; F547-K550 PolarHBondContact O-N 3.25Å; L548-K550 PolarHBondContact O-N 3.11Å
551N92.4Very high91.9Very high108 Ų10878 Ų7858%0.57844%0.44SS*.Hα-helixtrans-120.1-1.7-174.6-67.2-84.7000113.7F547 L548 K549 A553F547-N551 PolarHBondContact O-N 3.16Å; F547-N551 PolarHBondContact O-ND2 3.09Å; L548-N551 CarbonylContact O-C 3.39Å; L548-N551 WeakPolarHBondContact O-CA 3.37Å; L548-N551 PolarHBondContact O-N 2.82Å; K549-N551 VanDerWaalsContact C-N 3.26Å; K549-N551 PolarHBondContact O-N 2.87Å; N551-A553 PolarHBondContact O-N 2.64Å
552F80.2Confident91.4Very high127 Ų12781.3 Ų81.356%0.55746%0.457SS*.  trans-68.8124.6168.2-87.6-67.3000108.5L528 L548L528-F552 HydrophobicContact CD2-CE2 4.46Å; L548-F552 VanDerWaalsContact C-CD2 3.43Å; L548-F552 HydrophobicContact CB-CD2 4.04Å; L548-F552 HydrophobicContact CB-CE2 3.64Å; L548-F552 WeakPolarHBondContact O-CD2 3.1Å; L548-F552 PolarHBondContact O-N 3.46Å
553A53.3Low90.7Very high173 Ų17387.1 Ų87.1100%1.4349%0.49SS*.  trans-74.60177.200000112.1N551N551-A553 PolarHBondContact O-N 2.64Å

Retrieved 553 of 553 residues in 167 ms (Link to these results)

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