A0A096MU58_PAPAN Loading...

Aromatic-L-amino-acid decarboxylase

Catalyzes the decarboxylation of L-3,4-dihydroxyphenylalanine (DOPA) to dopamine and L-5-hydroxytryptophan to serotonin.

AlphaFold DB , UniProt , Accession A0A096MU58, Species PAPAN (Papio anubis, Olive baboon), Gene DDC, Length 480 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
1M94.2Very high97.6Very high152 Ų15298.8 Ų98.875%0.74949%0.487SS*.  0136.70-176.2178.4-67.300109.7E5 F6 R9 F53M1-E5 HydrophobicContact CE-CG 4.38Å; M1-E5 HydrophobicContact CG-CB 3.85Å; M1-E5 HydrophobicContact CG-CG 3.65Å; M1-E5 HydrophobicContact SD-CG 4.44Å; M1-F6 HydrophobicContact CG-CB 4.4Å; M1-F6 HydrophobicContact SD-CB 4.04Å; M1-F6 HydrophobicContact SD-CD2 4.41Å; M1-R9 HydrophobicContact CE-CB 4.26Å; M1-R9 HydrophobicContact CE-CG 3.93Å; M1-F53 HydrophobicContact CE-CD2 4Å
2N96.3Very high97.6Very high106 Ų10696.3 Ų96.357%0.56747%0.473SS*.  trans-110-178.9174.869.527000111.3S4 E5 F6N2-S4 PolarHBondContact O-N 3.41Å; N2-S4 PolarHBondContact OD1-N 2.69Å; N2-E5 PolarHBondContact O-N 3.46Å; N2-E5 PolarHBondContact OD1-N 2.99Å; N2-F6 WeakPolarHBondContact O-CB 3.42Å; N2-F6 PolarHBondContact O-N 3.23Å
3T97.9Very high97.6Very high98 Ų9894.2 Ų94.260%0.60146%0.463SS*.Hα-helixtrans-60.5-42-176-52.70000114.5E5 F6 R7T3-E5 VanDerWaalsContact C-N 3.34Å; T3-F6 PolarHBondContact O-N 3.17Å; T3-R7 WeakPolarHBondContact O-CG 3.34Å; T3-R7 PolarHBondContact O-N 3.25Å
4S98.2Very high97.7Very high93 Ų9392.9 Ų92.965%0.6546%0.462SS*.Hα-helixtrans-65.4-42.7179.8-610000110.7N2 R7 R8N2-S4 PolarHBondContact O-N 3.41Å; N2-S4 PolarHBondContact OD1-N 2.69Å; S4-R7 PolarHBondContact O-N 3.22Å; S4-R8 PolarHBondContact O-N 2.97Å
5E97.6Very high97.7Very high50 Ų5093 Ų9323%0.23447%0.465CS..Hα-helixtrans-65-45175.3-175.866.4175.700111.4M1 N2 T3 R7 R8 R9M1-E5 HydrophobicContact CE-CG 4.38Å; M1-E5 HydrophobicContact CG-CB 3.85Å; M1-E5 HydrophobicContact CG-CG 3.65Å; M1-E5 HydrophobicContact SD-CG 4.44Å; N2-E5 PolarHBondContact O-N 3.46Å; N2-E5 PolarHBondContact OD1-N 2.99Å; T3-E5 VanDerWaalsContact C-N 3.34Å; E5-R7 VanDerWaalsContact C-N 3.31Å; E5-R7 PolarHBondContact O-N 3.43Å; E5-R8 PolarHBondContact O-N 3.42Å; E5-R8 IonicContact OE1-CZ 3.6Å; E5-R8 IonicContact OE1-NH2 2.84Å; E5-R8 PolarHBondContact OE1-NH2 3.42Å; E5-R8 IonicContact OE2-CZ 2.83Å; E5-R8 VanDerWaalsContact OE2-CZ 3.31Å; E5-R8 IonicContact OE2-NE 3.66Å; E5-R8 PolarHBondContact OE2-NE 3.05Å; E5-R8 VanDerWaalsContact OE2-NE 3.1Å; E5-R8 IonicContact OE2-NH2 3.56Å; E5-R8 PolarHBondContact OE2-NH2 3.19Å; E5-R9 HydrophobicContact CG-CG 4.13Å; E5-R9 WeakPolarHBondContact O-CG 3.47Å; E5-R9 PolarHBondContact O-N 3.04Å; E5-R9 IonicContact OE1-CZ 2.85Å; E5-R9 VanDerWaalsContact OE1-CZ 3.28Å; E5-R9 IonicContact OE1-NE 3.37Å; E5-R9 PolarHBondContact OE1-NE 3.16Å; E5-R9 IonicContact OE1-NH2 3.31Å; E5-R9 PolarHBondContact OE1-NH2 3.04Å
6F97.9Very high97.7Very high126 Ų12690.4 Ų90.455%0.55345%0.449SS*.Hα-helixtrans-56.7-42.6175.1172.2-102000112.3M1 N2 T3 R8 G10M1-F6 HydrophobicContact CG-CB 4.4Å; M1-F6 HydrophobicContact SD-CB 4.04Å; M1-F6 HydrophobicContact SD-CD2 4.41Å; N2-F6 WeakPolarHBondContact O-CB 3.42Å; N2-F6 PolarHBondContact O-N 3.23Å; T3-F6 PolarHBondContact O-N 3.17Å; F6-R8 VanDerWaalsContact C-N 3.29Å; F6-R8 PolarHBondContact O-N 3.46Å; F6-G10 WeakPolarHBondContact O-CA 3.26Å; F6-G10 PolarHBondContact O-N 3.22Å
7R98.4Very high97.8Very high174 Ų17487.6 Ų87.666%0.65744%0.438SS*.Hα-helixtrans-63-36.5176.7-76176.5-178.1-111.91.5112.6T3 S4 E5 K11T3-R7 WeakPolarHBondContact O-CG 3.34Å; T3-R7 PolarHBondContact O-N 3.25Å; S4-R7 PolarHBondContact O-N 3.22Å; E5-R7 VanDerWaalsContact C-N 3.31Å; E5-R7 PolarHBondContact O-N 3.43Å; R7-K11 WeakPolarHBondContact O-CD 3.43Å; R7-K11 VanDerWaalsContact O-CG 3.28Å; R7-K11 WeakPolarHBondContact O-CG 2.9Å
8R98.4Very high97.8Very high102 Ų10284.4 Ų84.439%0.38543%0.427SS..Hα-helixtrans-72.5-54.7178.2-174.9177.264.293.1-16.4110.6S4 E5 F6 G10 K11 E12S4-R8 PolarHBondContact O-N 2.97Å; E5-R8 PolarHBondContact O-N 3.42Å; E5-R8 IonicContact OE1-CZ 3.6Å; E5-R8 IonicContact OE1-NH2 2.84Å; E5-R8 PolarHBondContact OE1-NH2 3.42Å; E5-R8 IonicContact OE2-CZ 2.83Å; E5-R8 VanDerWaalsContact OE2-CZ 3.31Å; E5-R8 IonicContact OE2-NE 3.66Å; E5-R8 PolarHBondContact OE2-NE 3.05Å; E5-R8 VanDerWaalsContact OE2-NE 3.1Å; E5-R8 IonicContact OE2-NH2 3.56Å; E5-R8 PolarHBondContact OE2-NH2 3.19Å; F6-R8 VanDerWaalsContact C-N 3.29Å; F6-R8 PolarHBondContact O-N 3.46Å; R8-G10 VanDerWaalsContact C-N 3.32Å; R8-G10 PolarHBondContact O-N 3.01Å; R8-K11 WeakPolarHBondContact O-CB 3.49Å; R8-K11 PolarHBondContact O-N 3.4Å; R8-K11 VanDerWaalsContact O-N 3.09Å; R8-E12 WeakPolarHBondContact CG-OE1 3.4Å; R8-E12 IonicContact CZ-OE1 2.75Å; R8-E12 IonicContact NH1-OE1 2.62Å; R8-E12 PolarHBondContact NH1-OE1 3.12Å; R8-E12 IonicContact NH1-OE2 3.46Å; R8-E12 PolarHBondContact O-N 3.41Å; R8-E12 VanDerWaalsContact O-N 3.09Å
9R97.9Very high97.8Very high16 Ų1685.8 Ų85.86%0.0644%0.436CS..Hα-helixtrans-63.8-34.8179.8-59.8-41.7-172160.86.9113.7M1 E5 K11 E12 M13 F53 E54M1-R9 HydrophobicContact CE-CB 4.26Å; M1-R9 HydrophobicContact CE-CG 3.93Å; E5-R9 HydrophobicContact CG-CG 4.13Å; E5-R9 WeakPolarHBondContact O-CG 3.47Å; E5-R9 PolarHBondContact O-N 3.04Å; E5-R9 IonicContact OE1-CZ 2.85Å; E5-R9 VanDerWaalsContact OE1-CZ 3.28Å; E5-R9 IonicContact OE1-NE 3.37Å; E5-R9 PolarHBondContact OE1-NE 3.16Å; E5-R9 IonicContact OE1-NH2 3.31Å; E5-R9 PolarHBondContact OE1-NH2 3.04Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 2.65Å; R9-E12 WeakPolarHBondContact CD-OE2 3.37Å; R9-E12 IonicContact CZ-OE2 3.44Å; R9-E12 IonicContact NE-OE2 3.45Å; R9-E12 IonicContact NH1-OE1 3.58Å; R9-E12 IonicContact NH1-OE2 2.79Å; R9-E12 PolarHBondContact NH1-OE2 3.41Å; R9-E12 PolarHBondContact O-N 2.81Å; R9-M13 WeakPolarHBondContact O-CB 3.32Å; R9-M13 PolarHBondContact O-N 3.41Å; R9-F53 HydrophobicContact CB-CD1 4.46Å; R9-F53 HydrophobicContact CB-CD2 4.29Å; R9-F53 HydrophobicContact CB-CE1 4.11Å; R9-F53 HydrophobicContact CB-CE2 3.98Å; R9-F53 HydrophobicContact CB-CZ 3.86Å; R9-F53 HydrophobicContact CG-CB 4.48Å; R9-F53 HydrophobicContact CG-CD1 3.95Å; R9-F53 HydrophobicContact CG-CD2 4.08Å; R9-F53 HydrophobicContact CG-CE1 4.08Å; R9-F53 HydrophobicContact CG-CE2 4.25Å; R9-F53 HydrophobicContact CG-CG 3.91Å; R9-F53 HydrophobicContact CG-CZ 4.24Å; R9-E54 IonicContact CZ-OE1 2.92Å; R9-E54 IonicContact CZ-OE2 2.84Å; R9-E54 IonicContact NH1-OE1 3.52Å; R9-E54 PolarHBondContact NH1-OE1 3.24Å; R9-E54 IonicContact NH1-OE2 3.9Å; R9-E54 IonicContact NH2-OE1 3.91Å; R9-E54 PolarHBondContact NH2-OE1 2.81Å; R9-E54 IonicContact NH2-OE2 2.65Å; R9-E54 PolarHBondContact NH2-OE2 3.47Å
10G97.8Very high97.8Very high27 Ų2783.2 Ų83.228%0.27842%0.421SS..Hα-helixtrans-61.2-38.417400000112F6 R8 V14F6-G10 WeakPolarHBondContact O-CA 3.26Å; F6-G10 PolarHBondContact O-N 3.22Å; R8-G10 VanDerWaalsContact C-N 3.32Å; R8-G10 PolarHBondContact O-N 3.01Å; G10-V14 VanDerWaalsContact O-CG2 3.28Å; G10-V14 WeakPolarHBondContact O-CG2 3.3Å; G10-V14 PolarHBondContact O-N 3.29Å
11K98.4Very high97.8Very high143 Ų14380.1 Ų80.162%0.62241%0.405SS*.Hα-helixtrans-68.9-47.1174.1-68.2169-176-1750111.4R7 R8 R9 M13 V14 D15R7-K11 WeakPolarHBondContact O-CD 3.43Å; R7-K11 VanDerWaalsContact O-CG 3.28Å; R7-K11 WeakPolarHBondContact O-CG 2.9Å; R8-K11 WeakPolarHBondContact O-CB 3.49Å; R8-K11 PolarHBondContact O-N 3.4Å; R8-K11 VanDerWaalsContact O-N 3.09Å; R9-K11 VanDerWaalsContact C-N 3.29Å; R9-K11 PolarHBondContact O-N 2.65Å; K11-M13 PolarHBondContact O-N 3.43Å; K11-V14 WeakPolarHBondContact O-CB 3.46Å; K11-V14 PolarHBondContact O-N 3.49Å; K11-D15 PolarHBondContact O-N 2.92Å
12E97.7Very high97.9Very high69 Ų6980.1 Ų80.132%0.32240%0.403SS..Hα-helixtrans-55-40.8176.1-68.2168.2-165.700111.5R8 R9 Y16R8-E12 WeakPolarHBondContact CG-OE1 3.4Å; R8-E12 IonicContact CZ-OE1 2.75Å; R8-E12 IonicContact NH1-OE1 2.62Å; R8-E12 PolarHBondContact NH1-OE1 3.12Å; R8-E12 IonicContact NH1-OE2 3.46Å; R8-E12 PolarHBondContact O-N 3.41Å; R8-E12 VanDerWaalsContact O-N 3.09Å; R9-E12 WeakPolarHBondContact CD-OE2 3.37Å; R9-E12 IonicContact CZ-OE2 3.44Å; R9-E12 IonicContact NE-OE2 3.45Å; R9-E12 IonicContact NH1-OE1 3.58Å; R9-E12 IonicContact NH1-OE2 2.79Å; R9-E12 PolarHBondContact NH1-OE2 3.41Å; R9-E12 PolarHBondContact O-N 2.81Å; E12-Y16 WeakPolarHBondContact O-CB 3.37Å; E12-Y16 PolarHBondContact O-N 3.46Å
13M98.3Very high97.9Very high69 Ų6977 Ų7734%0.3440%0.396SS..Hα-helixtrans-70.5-36.8176.3-176.257.664.400113R9 K11 Y16 V17 F53 I57R9-M13 WeakPolarHBondContact O-CB 3.32Å; R9-M13 PolarHBondContact O-N 3.41Å; K11-M13 PolarHBondContact O-N 3.43Å; M13-Y16 PolarHBondContact O-N 3.45Å; M13-Y16 HydrophobicContact SD-CD1 4.02Å; M13-V17 HydrophobicContact CG-CG2 4.44Å; M13-V17 WeakPolarHBondContact O-CB 3.14Å; M13-V17 VanDerWaalsContact O-CG2 3.27Å; M13-V17 WeakPolarHBondContact O-CG2 3.37Å; M13-V17 PolarHBondContact O-N 3.01Å; M13-V17 HydrophobicContact SD-CG2 4.12Å; M13-F53 HydrophobicContact CE-CZ 4.37Å; M13-I57 HydrophobicContact CE-CD1 3.48Å; M13-I57 VanDerWaalsContact CE-CD1 3.48Å
14V98.4Very high97.9Very high75 Ų7572.5 Ų72.546%0.45537%0.368SS..Hα-helixtrans-62.6-45.8174.6165.70000110.4G10 K11 V17 A18G10-V14 VanDerWaalsContact O-CG2 3.28Å; G10-V14 WeakPolarHBondContact O-CG2 3.3Å; G10-V14 PolarHBondContact O-N 3.29Å; K11-V14 WeakPolarHBondContact O-CB 3.46Å; K11-V14 PolarHBondContact O-N 3.49Å; V14-V17 PolarHBondContact O-N 2.9Å; V14-A18 PolarHBondContact O-N 2.89Å
15D98.3Very high97.8Very high95 Ų9571.7 Ų71.751%0.50835%0.354SS..Hα-helixtrans-62.6-47177.4-63.4-23.8000110.1K11 V17 A18 D19K11-D15 PolarHBondContact O-N 2.92Å; D15-V17 PolarHBondContact O-N 3.46Å; D15-A18 PolarHBondContact O-N 3.38Å; D15-D19 WeakPolarHBondContact O-CB 3.34Å; D15-D19 VanDerWaalsContact O-CG 3.32Å; D15-D19 PolarHBondContact O-N 3.44Å
16Y97.9Very high97.8Very high51 Ų5173 Ų7320%0.238%0.381CS..Hα-helixtrans-56.6-45.7175.5177.3-97.5000113.3E12 M13 D19 Y20 I60 E61 M65E12-Y16 WeakPolarHBondContact O-CB 3.37Å; E12-Y16 PolarHBondContact O-N 3.46Å; M13-Y16 PolarHBondContact O-N 3.45Å; M13-Y16 HydrophobicContact SD-CD1 4.02Å; Y16-D19 PolarHBondContact O-N 2.89Å; Y16-Y20 VanDerWaalsContact O-CB 3.24Å; Y16-Y20 WeakPolarHBondContact O-CB 3.43Å; Y16-Y20 PolarHBondContact O-N 2.98Å; Y16-I60 HydrophobicContact CE1-CG2 4.3Å; Y16-I60 WeakPolarHBondContact OH-CG2 3.25Å; Y16-E61 HydrophobicContact CE2-CG 4.25Å; Y16-E61 VanDerWaalsContact CE2-OE1 3.24Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.42Å; Y16-E61 PolarHBondContact OH-OE1 3.43Å; Y16-M65 HydrophobicContact CE1-CE 4.18Å; Y16-M65 WeakPolarHBondContact OH-CE 3.46Å
17V98.2Very high97.7Very high44 Ų4470.3 Ų70.327%0.26737%0.367SS..Hα-helixtrans-65.4-40.2179168.10000111.1M13 V14 D15 M21 M89M13-V17 HydrophobicContact CG-CG2 4.44Å; M13-V17 WeakPolarHBondContact O-CB 3.14Å; M13-V17 VanDerWaalsContact O-CG2 3.27Å; M13-V17 WeakPolarHBondContact O-CG2 3.37Å; M13-V17 PolarHBondContact O-N 3.01Å; M13-V17 HydrophobicContact SD-CG2 4.12Å; V14-V17 PolarHBondContact O-N 2.9Å; D15-V17 PolarHBondContact O-N 3.46Å; V17-M21 HydrophobicContact CG1-CG 4.34Å; V17-M21 WeakPolarHBondContact O-CB 3.25Å; V17-M21 WeakPolarHBondContact O-CG 3.22Å; V17-M21 PolarHBondContact O-N 2.6Å; V17-M89 HydrophobicContact CG1-CE 4.34Å; V17-M89 HydrophobicContact CG1-SD 3.89Å
18A98.3Very high97.5Very high29 Ų2966.3 Ų66.324%0.2436%0.356CS..Hα-helixtrans-62.9-50.4176.200000111V14 D15 Y20 M21 E22V14-A18 PolarHBondContact O-N 2.89Å; D15-A18 PolarHBondContact O-N 3.38Å; A18-Y20 VanDerWaalsContact C-N 3.33Å; A18-Y20 PolarHBondContact O-N 3.47Å; A18-M21 PolarHBondContact O-N 3.44Å; A18-M21 VanDerWaalsContact O-N 3.15Å; A18-E22 WeakPolarHBondContact O-CG 3.3Å; A18-E22 PolarHBondContact O-N 3.23Å
19D98.2Very high97.4Very high111 Ų11161.5 Ų61.559%0.59434%0.338SS*.Hα-helixtrans-60.5-42.1178.4-69.7-13.5000111.7D15 Y16 G23D15-D19 WeakPolarHBondContact O-CB 3.34Å; D15-D19 VanDerWaalsContact O-CG 3.32Å; D15-D19 PolarHBondContact O-N 3.44Å; Y16-D19 PolarHBondContact O-N 2.89Å; D19-G23 PolarHBondContact O-N 2.98Å
20Y98.1Very high97.3Very high34 Ų3465.4 Ų65.413%0.13335%0.354CS..Hα-helixtrans-60.3-47.3174.6167.3-105.2000111.7Y16 A18 I24 M65 H70Y16-Y20 VanDerWaalsContact O-CB 3.24Å; Y16-Y20 WeakPolarHBondContact O-CB 3.43Å; Y16-Y20 PolarHBondContact O-N 2.98Å; A18-Y20 VanDerWaalsContact C-N 3.33Å; A18-Y20 PolarHBondContact O-N 3.47Å; Y20-I24 HydrophobicContact CE1-CD1 4.03Å; Y20-I24 HydrophobicContact CE2-CD1 4.31Å; Y20-I24 HydrophobicContact CE2-CG1 4.35Å; Y20-I24 WeakPolarHBondContact O-CA 3.38Å; Y20-I24 VanDerWaalsContact O-CB 3.3Å; Y20-I24 WeakPolarHBondContact O-CB 3.37Å; Y20-I24 PolarHBondContact O-N 2.66Å; Y20-M65 HydrophobicContact CD2-CE 3.96Å; Y20-M65 HydrophobicContact CE2-CE 3.95Å; Y20-M65 HydrophobicContact CE2-SD 4.11Å; Y20-H70 AromaticContact CE2-CE1 3.71Å; Y20-H70 AromaticContact CE2-ND1 3.56Å; Y20-H70 AromaticContact CZ-ND1 3.65Å; Y20-H70 PolarHBondContact OH-ND1 3.25Å
21M97.2Very high97.2Very high18 Ų1864.9 Ų64.99%0.08935%0.345CS..Hα-helixtrans-70.7-34.6-176.9-70.6-68.3-70.100112.6V17 A18 I24 H72 Y86 M89V17-M21 HydrophobicContact CG1-CG 4.34Å; V17-M21 WeakPolarHBondContact O-CB 3.25Å; V17-M21 WeakPolarHBondContact O-CG 3.22Å; V17-M21 PolarHBondContact O-N 2.6Å; A18-M21 PolarHBondContact O-N 3.44Å; A18-M21 VanDerWaalsContact O-N 3.15Å; M21-I24 WeakPolarHBondContact O-CG2 3.35Å; M21-H72 HydrophobicContact CE-CB 4.3Å; M21-H72 HydrophobicContact SD-CB 4.45Å; M21-Y86 HydrophobicContact CB-CE1 4.3Å; M21-Y86 WeakPolarHBondContact CB-OH 3.37Å; M21-Y86 HydrophobicContact CG-CE1 4.3Å; M21-M89 HydrophobicContact CE-CE 4.2Å; M21-M89 HydrophobicContact CG-CE 4.46Å; M21-M89 HydrophobicContact SD-CE 4.21Å
22E96.4Very high97Very high152 Ų15263.2 Ų63.271%0.7134%0.343SS*.Hα-helixtrans-74.6-41.4174.8-70.9-173.5174.600111.8A18 I24A18-E22 WeakPolarHBondContact O-CG 3.3Å; A18-E22 PolarHBondContact O-N 3.23Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 3.41Å
23G97.2Very high97Very high40 Ų4062.2 Ų62.241%0.41234%0.341SS..Hα-helixtrans-82-0.9179.700000115.2D19 E25 G26D19-G23 PolarHBondContact O-N 2.98Å; G23-E25 PolarHBondContact O-N 2.96Å; G23-E25 VanDerWaalsContact O-N 3.16Å; G23-G26 PolarHBondContact O-N 2.88Å
24I97.4Very high96.9Very high4 Ų466 Ų662%0.02136%0.358CS..G310 helixtrans-62.3-26.4-170.7-158.6168.2000113.9Y20 M21 E22 G26 R27 H70 H72Y20-I24 HydrophobicContact CE1-CD1 4.03Å; Y20-I24 HydrophobicContact CE2-CD1 4.31Å; Y20-I24 HydrophobicContact CE2-CG1 4.35Å; Y20-I24 WeakPolarHBondContact O-CA 3.38Å; Y20-I24 VanDerWaalsContact O-CB 3.3Å; Y20-I24 WeakPolarHBondContact O-CB 3.37Å; Y20-I24 PolarHBondContact O-N 2.66Å; M21-I24 WeakPolarHBondContact O-CG2 3.35Å; E22-I24 VanDerWaalsContact C-N 3.32Å; E22-I24 PolarHBondContact O-N 3.41Å; I24-G26 PolarHBondContact O-N 3.39Å; I24-R27 PolarHBondContact O-N 2.94Å; I24-R27 VanDerWaalsContact O-N 3.16Å; I24-H70 HydrophobicContact CD1-CB 4.12Å; I24-H70 HydrophobicContact CG1-CB 4.11Å; I24-H72 HydrophobicContact CD1-CB 3.68Å
25E96.6Very high96.9Very high77 Ų7768.5 Ų68.536%0.3638%0.376SS..G310 helixtrans-60.2-33.2175.4-175-177.6168.400111.5G23 R27 P74 Y75 H459 R462G23-E25 PolarHBondContact O-N 2.96Å; G23-E25 VanDerWaalsContact O-N 3.16Å; E25-R27 VanDerWaalsContact C-N 3.27Å; E25-R27 PolarHBondContact O-N 3.35Å; E25-P74 HydrophobicContact CB-CG 4Å; E25-P74 HydrophobicContact CG-CG 3.85Å; E25-Y75 HydrophobicContact CG-CD2 4.38Å; E25-Y75 HydrophobicContact CG-CE2 3.6Å; E25-Y75 PolarHBondContact OE1-OH 3.01Å; E25-Y75 VanDerWaalsContact OE1-OH 3.14Å; E25-H459 VanDerWaalsContact CD-NE2 3.32Å; E25-H459 IonicContact OE1-CD2 2.67Å; E25-H459 IonicContact OE1-NE2 2.99Å; E25-H459 PolarHBondContact OE1-NE2 3.28Å; E25-H459 IonicContact OE2-NE2 3.88Å; E25-H459 PolarHBondContact OE2-NE2 3.16Å; E25-R462 IonicContact OE1-CZ 2.69Å; E25-R462 IonicContact OE1-NH1 3.15Å; E25-R462 PolarHBondContact OE1-NH1 3.17Å; E25-R462 IonicContact OE1-NH2 3.92Å; E25-R462 PolarHBondContact OE1-NH2 2.96Å
26G96.3Very high96.9Very high78 Ų7866.6 Ų66.680%0.80438%0.379SS*.G310 helixtrans-78.5-5.6179.500000114.6G23 I24G23-G26 PolarHBondContact O-N 2.88Å; I24-G26 PolarHBondContact O-N 3.39Å
27R96Very high96.9Very high68 Ų6867.4 Ų67.426%0.25738%0.383SS..SBendtrans-93.9144.4-179.2-61.8-171.4177.6-112.15.5111.5I24 E25 V29 E61I24-R27 PolarHBondContact O-N 2.94Å; I24-R27 VanDerWaalsContact O-N 3.16Å; E25-R27 VanDerWaalsContact C-N 3.27Å; E25-R27 PolarHBondContact O-N 3.35Å; R27-V29 PolarHBondContact O-N 3.28Å; R27-E61 IonicContact CZ-OE1 3.11Å; R27-E61 IonicContact CZ-OE2 3.73Å; R27-E61 IonicContact NH1-OE1 2.9Å; R27-E61 IonicContact NH1-OE2 3.02Å; R27-E61 PolarHBondContact NH1-OE2 3.09Å; R27-E61 IonicContact NH2-OE1 2.59Å; R27-E61 PolarHBondContact NH2-OE1 3.14Å; R27-E61 IonicContact NH2-OE2 3.3Å; R27-E61 PolarHBondContact NH2-OE2 2.95Å
28Q95.4Very high96.9Very high91 Ų9168.1 Ų68.143%0.42539%0.385SS..  trans-65.9118.5175.5-174.6-177.3-80.800110.6Y30 H70 K431Q28-Y30 WeakPolarHBondContact CG-O 3.47Å; Q28-Y30 PolarHBondContact NE2-O 3.38Å; Q28-Y30 PolarHBondContact O-N 2.97Å; Q28-H70 PolarHBondContact O-CD2 2.85Å; Q28-H70 VanDerWaalsContact O-CD2 3.23Å; Q28-K431 HydrophobicContact CG-CB 3.73Å
29V96Very high96.8Very high1 Ų173.8 Ų73.81%0.00640%0.4CS..SBendtrans-60.2-48.6-169.2-174.50000113.4R27 T69 H70 Y75 F76 H434R27-V29 PolarHBondContact O-N 3.28Å; V29-T69 CarbonylContact O-C 3.57Å; V29-T69 WeakPolarHBondContact O-CA 3.35Å; V29-H70 PolarHBondContact O-N 3.17Å; V29-Y75 VanDerWaalsContact CG2-CB 3.47Å; V29-F76 HydrophobicContact CG1-CB 3.78Å; V29-F76 HydrophobicContact CG1-CD2 3.83Å; V29-F76 HydrophobicContact CG1-CG 4.31Å; V29-H434 HydrophobicContact CG1-CB 3.89Å
30Y95.8Very high96.8Very high98 Ų9873.7 Ų73.738%0.38441%0.405SS..SBendtrans-107.8128.9-177.7-170.2-110.5000109.1Q28 T69 H434Q28-Y30 WeakPolarHBondContact CG-O 3.47Å; Q28-Y30 PolarHBondContact NE2-O 3.38Å; Q28-Y30 PolarHBondContact O-N 2.97Å; Y30-T69 HydrophobicContact CD2-CG2 4.38Å; Y30-H434 AromaticContact CD2-CE1 3.68Å; Y30-H434 AromaticContact CD2-ND1 3.89Å; Y30-H434 AromaticContact CD2-NE2 3.83Å; Y30-H434 AromaticContact CE2-CE1 3.89Å
31P95.6Very high96.7Very high16 Ų1676.2 Ų76.210%0.10442%0.42CS..  trans-70.3155.4-169.729.7-37.1000112.6V33 P66 T69P31-V33 HydrophobicContact CB-CG2 4.06Å; P31-V33 HydrophobicContact CG-CG2 4.3Å; P31-P66 WeakPolarHBondContact CB-O 3.28Å; P31-T69 VanDerWaalsContact CD-OG1 3.28Å; P31-T69 WeakPolarHBondContact CD-OG1 3.38Å
32D94.5Very high96.7Very high108 Ų10878.8 Ų78.858%0.57843%0.434SS*.  trans-103.766.6176-167.113.8000111K431D32-K431 HydrophobicContact CB-CD 4.43Å; D32-K431 IonicContact OD1-NZ 3.37Å; D32-K431 PolarHBondContact OD1-NZ 2.87Å; D32-K431 IonicContact OD2-NZ 2.69Å; D32-K431 PolarHBondContact OD2-NZ 3.08Å
33V96.6Very high96.7Very high47 Ų4776.2 Ų76.229%0.28543%0.43SS..  trans-139.6150.2-176.2-60.50000110.9P31 Y37P31-V33 HydrophobicContact CB-CG2 4.06Å; P31-V33 HydrophobicContact CG-CG2 4.3Å; V33-Y37 HydrophobicContact CB-CD1 3.6Å; V33-Y37 HydrophobicContact CB-CD2 4.07Å; V33-Y37 HydrophobicContact CB-CE1 4.15Å; V33-Y37 HydrophobicContact CB-CG 3.58Å; V33-Y37 HydrophobicContact CG1-CD1 4.14Å; V33-Y37 HydrophobicContact CG1-CD2 3.74Å; V33-Y37 HydrophobicContact CG1-CE1 4.42Å; V33-Y37 HydrophobicContact CG1-CE2 4.05Å; V33-Y37 HydrophobicContact CG1-CG 3.81Å; V33-Y37 HydrophobicContact CG2-CD1 3.56Å; V33-Y37 HydrophobicContact CG2-CE1 3.71Å; V33-Y37 HydrophobicContact CG2-CG 4.09Å
34E97Very high96.7Very high148 Ų14880.6 Ų80.669%0.69244%0.444SS*.  trans-96.2155.4174.6-67.8-60149.600111.7G36 Y37E34-G36 PolarHBondContact O-N 2.93Å; E34-Y37 WeakPolarHBondContact O-CB 3.42Å; E34-Y37 PolarHBondContact O-N 3.25Å
35P98.1Very high96.7Very high128 Ų12884.7 Ų84.783%0.83147%0.473SS*.THydrogen-bonded Turntrans-51.6124.9173.8-27.235.7000112.1
36G97.6Very high96.8Very high56 Ų5684.7 Ų84.758%0.57749%0.486SS*.THydrogen-bonded Turntrans96.1-4.3-17800000115.6E34 L38 R39 P40E34-G36 PolarHBondContact O-N 2.93Å; G36-L38 PolarHBondContact O-N 3.45Å; G36-R39 PolarHBondContact O-N 3.15Å; G36-R39 VanDerWaalsContact O-N 3.16Å; G36-P40 VanDerWaalsContact O-CD 3.32Å; G36-P40 WeakPolarHBondContact O-CD 3.41Å
37Y97.9Very high96.9Very high68 Ų6884.8 Ų84.827%0.26747%0.473SS..THydrogen-bonded Turntrans-51.7-32.8-177.784.6-79.7000114.5V33 E34 P40 L41 G67V33-Y37 HydrophobicContact CB-CD1 3.6Å; V33-Y37 HydrophobicContact CB-CD2 4.07Å; V33-Y37 HydrophobicContact CB-CE1 4.15Å; V33-Y37 HydrophobicContact CB-CG 3.58Å; V33-Y37 HydrophobicContact CG1-CD1 4.14Å; V33-Y37 HydrophobicContact CG1-CD2 3.74Å; V33-Y37 HydrophobicContact CG1-CE1 4.42Å; V33-Y37 HydrophobicContact CG1-CE2 4.05Å; V33-Y37 HydrophobicContact CG1-CG 3.81Å; V33-Y37 HydrophobicContact CG2-CD1 3.56Å; V33-Y37 HydrophobicContact CG2-CE1 3.71Å; V33-Y37 HydrophobicContact CG2-CG 4.09Å; E34-Y37 WeakPolarHBondContact O-CB 3.42Å; E34-Y37 PolarHBondContact O-N 3.25Å; Y37-P40 WeakPolarHBondContact O-CD 3.38Å; Y37-P40 WeakPolarHBondContact O-CG 3.17Å; Y37-L41 HydrophobicContact CD2-CD1 4.26Å; Y37-G67 WeakPolarHBondContact OH-CA 3.43Å
38L98Very high97Very high59 Ų5990.1 Ų90.131%0.30950%0.501SS..THydrogen-bonded Turntrans-76.3-32.5-174.3-173.462.1000112.8G36 L41 I42 I63 I64G36-L38 PolarHBondContact O-N 3.45Å; L38-L41 WeakPolarHBondContact O-CB 3.35Å; L38-L41 PolarHBondContact O-N 3.47Å; L38-I42 HydrophobicContact CD1-CD1 4.37Å; L38-I42 HydrophobicContact CD1-CG1 4.07Å; L38-I42 HydrophobicContact CG-CG1 4.08Å; L38-I42 PolarHBondContact O-N 3.31Å; L38-I63 HydrophobicContact CD1-CG2 3.31Å; L38-I64 HydrophobicContact CD1-CD1 4.4Å
39R97.5Very high97.1Very high148 Ų14892.9 Ų92.956%0.55851%0.513SS*.G310 helixtrans-55.8-48.5-175.2179.260.2-172.9-171.54.3113.3G36 L41 I42 D44G36-R39 PolarHBondContact O-N 3.15Å; G36-R39 VanDerWaalsContact O-N 3.16Å; R39-L41 PolarHBondContact O-N 3.37Å; R39-I42 PolarHBondContact O-N 2.93Å; R39-D44 IonicContact CZ-OD1 2.58Å; R39-D44 IonicContact NE-OD1 3.66Å; R39-D44 PolarHBondContact NE-OD1 3.25Å; R39-D44 IonicContact NH2-OD1 2.95Å; R39-D44 PolarHBondContact NH2-OD1 3.37Å
40P97.2Very high97.1Very high108 Ų10898.4 Ų98.470%0.70155%0.549SS*.G310 helixtrans-70.2-9178.929.1-37.3000114.2G36 Y37G36-P40 VanDerWaalsContact O-CD 3.32Å; G36-P40 WeakPolarHBondContact O-CD 3.41Å; Y37-P40 WeakPolarHBondContact O-CD 3.38Å; Y37-P40 WeakPolarHBondContact O-CG 3.17Å
41L96.9Very high97.2Very high87 Ų8798.3 Ų98.346%0.45556%0.556SS.*G310 helixtrans-94.5-12.5-180-56.6178.5000113.1Y37 L38 R39 I63Y37-L41 HydrophobicContact CD2-CD1 4.26Å; L38-L41 WeakPolarHBondContact O-CB 3.35Å; L38-L41 PolarHBondContact O-N 3.47Å; R39-L41 PolarHBondContact O-N 3.37Å; L41-I63 HydrophobicContact CB-CD1 4.41Å; L41-I63 HydrophobicContact CB-CG2 3.72Å; L41-I63 HydrophobicContact CD1-CG2 3.99Å
42I96.4Very high97.2Very high72 Ų72100.8 Ų100.837%0.36957%0.57SS.*SBendtrans-112.4139.2-178-59.2-64.1000108.9L38 R39 I63L38-I42 HydrophobicContact CD1-CD1 4.37Å; L38-I42 HydrophobicContact CD1-CG1 4.07Å; L38-I42 HydrophobicContact CG-CG1 4.08Å; L38-I42 PolarHBondContact O-N 3.31Å; R39-I42 PolarHBondContact O-N 2.93Å; I42-I63 HydrophobicContact CD1-CG2 3.99Å
43P96.3Very high97.2Very high99 Ų9997.6 Ų97.664%0.64355%0.551SS**  trans-53.2146174.1-27.235.4000113S45P43-S45 PolarHBondContact O-N 2.8Å; P43-S45 VanDerWaalsContact O-N 3.12Å
44D97.5Very high97.2Very high131 Ų13199.2 Ų99.270%0.70156%0.556SS**SBendtrans-66.4-16.8-176.8-78.7-40.9000114R39R39-D44 IonicContact CZ-OD1 2.58Å; R39-D44 IonicContact NE-OD1 3.66Å; R39-D44 PolarHBondContact NE-OD1 3.25Å; R39-D44 IonicContact NH2-OD1 2.95Å; R39-D44 PolarHBondContact NH2-OD1 3.37Å
45S98.1Very high97.1Very high90 Ų9095.7 Ų95.763%0.62954%0.542SS*.SBendtrans-140.5155.417860.30000111.6P43P43-S45 PolarHBondContact O-N 2.8Å; P43-S45 VanDerWaalsContact O-N 3.12Å
46A98Very high97Very high77 Ų7793.7 Ų93.764%0.63652%0.523SS*.  trans-60.2147.317300000111.9
47P97.7Very high96.9Very high80 Ų8093.2 Ų93.252%0.51951%0.507SS..  trans-68.9142.6-179.132.9-38.1000110.6E49P47-E49 WeakPolarHBondContact CB-O 3.28Å
48Q98.1Very high96.8Very high180 Ų18095 Ų9584%0.84152%0.521SS*.SBendtrans-78-35176.4-65.8-60.7-53.900111.7
49E97.8Very high96.7Very high149 Ų14995.1 Ų95.170%0.69652%0.522SS*.SBendtrans-107152.5176.2-64-57.5149.100109.5P47 D51P47-E49 WeakPolarHBondContact CB-O 3.28Å; E49-D51 PolarHBondContact O-N 2.89Å
50P96.9Very high96.7Very high117 Ų11790.1 Ų90.176%0.7651%0.506SS*.PPolyproline II helixtrans-68.6130.5-178.427.9-34.6000111.8
51D96.9Very high96.6Very high97 Ų9788.5 Ų88.552%0.51949%0.489SS..PPolyproline II helixtrans-68.4159.9164-63.6-37.6000111E49 D55E49-D51 PolarHBondContact O-N 2.89Å; D51-D55 HydrophobicContact CB-CB 4.33Å
52T95.9Very high96.5Very high67 Ų6791.6 Ų91.641%0.41150%0.499SS..PPolyproline II helixtrans-79.6161.6173.573.10000111.1E54 D55 I56T52-E54 VanDerWaalsContact C-N 3.25Å; T52-E54 PolarHBondContact O-N 3.01Å; T52-D55 WeakPolarHBondContact CB-OD2 3.41Å; T52-D55 PolarHBondContact N-OD2 3.26Å; T52-D55 PolarHBondContact O-N 3.2Å; T52-D55 PolarHBondContact OG1-N 3.37Å; T52-D55 PolarHBondContact OG1-OD2 3.34Å; T52-I56 WeakPolarHBondContact O-CG1 3.27Å; T52-I56 PolarHBondContact O-N 3.42Å
53F95.4Very high96.5Very high41 Ų4188.6 Ų88.618%0.1848%0.484CS..Hα-helixtrans-65.5-34.1174.3-179.1-92.4000111.5M1 R9 M13 D55 I56 I57M1-F53 HydrophobicContact CE-CD2 4Å; R9-F53 HydrophobicContact CB-CD1 4.46Å; R9-F53 HydrophobicContact CB-CD2 4.29Å; R9-F53 HydrophobicContact CB-CE1 4.11Å; R9-F53 HydrophobicContact CB-CE2 3.98Å; R9-F53 HydrophobicContact CB-CZ 3.86Å; R9-F53 HydrophobicContact CG-CB 4.48Å; R9-F53 HydrophobicContact CG-CD1 3.95Å; R9-F53 HydrophobicContact CG-CD2 4.08Å; R9-F53 HydrophobicContact CG-CE1 4.08Å; R9-F53 HydrophobicContact CG-CE2 4.25Å; R9-F53 HydrophobicContact CG-CG 3.91Å; R9-F53 HydrophobicContact CG-CZ 4.24Å; M13-F53 HydrophobicContact CE-CZ 4.37Å; F53-D55 VanDerWaalsContact C-N 3.35Å; F53-I56 PolarHBondContact O-N 2.91Å; F53-I57 HydrophobicContact CD1-CG1 3.75Å; F53-I57 HydrophobicContact CD2-CG1 4.48Å; F53-I57 HydrophobicContact CE1-CB 4.38Å; F53-I57 HydrophobicContact CE1-CD1 4.1Å; F53-I57 HydrophobicContact CE1-CG1 3.26Å; F53-I57 HydrophobicContact CE2-CD1 4.23Å; F53-I57 HydrophobicContact CE2-CG1 4.04Å; F53-I57 HydrophobicContact CG-CG1 4.37Å; F53-I57 HydrophobicContact CZ-CD1 3.74Å; F53-I57 HydrophobicContact CZ-CG1 3.42Å; F53-I57 VanDerWaalsContact CZ-CG1 3.42Å; F53-I57 PolarHBondContact O-N 2.99Å
54E95.7Very high96.6Very high82 Ų8287.1 Ų87.138%0.38347%0.469SS..Hα-helixtrans-57.1-46.5173.1-75.972.1-165.400111.8R9 T52 I56 I57 N58R9-E54 IonicContact CZ-OE1 2.92Å; R9-E54 IonicContact CZ-OE2 2.84Å; R9-E54 IonicContact NH1-OE1 3.52Å; R9-E54 PolarHBondContact NH1-OE1 3.24Å; R9-E54 IonicContact NH1-OE2 3.9Å; R9-E54 IonicContact NH2-OE1 3.91Å; R9-E54 PolarHBondContact NH2-OE1 2.81Å; R9-E54 IonicContact NH2-OE2 2.65Å; R9-E54 PolarHBondContact NH2-OE2 3.47Å; T52-E54 VanDerWaalsContact C-N 3.25Å; T52-E54 PolarHBondContact O-N 3.01Å; E54-I56 VanDerWaalsContact C-N 3.31Å; E54-I56 PolarHBondContact O-N 3.43Å; E54-I57 PolarHBondContact O-N 2.6Å; E54-N58 VanDerWaalsContact O-CB 3.29Å; E54-N58 WeakPolarHBondContact O-CB 3.38Å; E54-N58 PolarHBondContact O-N 3.2Å; E54-N58 PolarHBondContact O-ND2 3.15Å
55D95.5Very high96.6Very high74 Ų7482 Ų8240%0.39644%0.442SS..Hα-helixtrans-58.1-47.8178.4-58.7-42.4000110.3D51 T52 F53 N58 D59D51-D55 HydrophobicContact CB-CB 4.33Å; T52-D55 WeakPolarHBondContact CB-OD2 3.41Å; T52-D55 PolarHBondContact N-OD2 3.26Å; T52-D55 PolarHBondContact O-N 3.2Å; T52-D55 PolarHBondContact OG1-N 3.37Å; T52-D55 PolarHBondContact OG1-OD2 3.34Å; F53-D55 VanDerWaalsContact C-N 3.35Å; D55-N58 PolarHBondContact O-N 3.15Å; D55-D59 PolarHBondContact O-N 3.33Å; D55-D59 VanDerWaalsContact O-N 3.15Å
56I96Very high96.6Very high86 Ų8680.8 Ų80.844%0.44143%0.432SS..Hα-helixtrans-63-46.5-179.7-62168.2000111.7T52 F53 E54 D59 I60T52-I56 WeakPolarHBondContact O-CG1 3.27Å; T52-I56 PolarHBondContact O-N 3.42Å; F53-I56 PolarHBondContact O-N 2.91Å; E54-I56 VanDerWaalsContact C-N 3.31Å; E54-I56 PolarHBondContact O-N 3.43Å; I56-D59 PolarHBondContact O-N 3.02Å; I56-I60 WeakPolarHBondContact O-CG1 3.26Å; I56-I60 PolarHBondContact O-N 2.94Å
57I95.3Very high96.6Very high45 Ų4578.1 Ų78.123%0.23141%0.412CS..Hα-helixtrans-69.6-35.8-179-70.8-53.2000112.3M13 F53 E54 D59 I60M13-I57 HydrophobicContact CE-CD1 3.48Å; M13-I57 VanDerWaalsContact CE-CD1 3.48Å; F53-I57 HydrophobicContact CD1-CG1 3.75Å; F53-I57 HydrophobicContact CD2-CG1 4.48Å; F53-I57 HydrophobicContact CE1-CB 4.38Å; F53-I57 HydrophobicContact CE1-CD1 4.1Å; F53-I57 HydrophobicContact CE1-CG1 3.26Å; F53-I57 HydrophobicContact CE2-CD1 4.23Å; F53-I57 HydrophobicContact CE2-CG1 4.04Å; F53-I57 HydrophobicContact CG-CG1 4.37Å; F53-I57 HydrophobicContact CZ-CD1 3.74Å; F53-I57 HydrophobicContact CZ-CG1 3.42Å; F53-I57 VanDerWaalsContact CZ-CG1 3.42Å; F53-I57 PolarHBondContact O-N 2.99Å; E54-I57 PolarHBondContact O-N 2.6Å; I57-D59 PolarHBondContact O-N 2.81Å; I57-I60 HydrophobicContact CD1-CG1 4.11Å; I57-I60 WeakPolarHBondContact O-CB 3.35Å; I57-I60 PolarHBondContact O-N 3.12Å; I57-I60 VanDerWaalsContact O-N 3.11Å
58N95.1Very high96.6Very high106 Ų10676.2 Ų76.257%0.56740%0.399SS*.Hα-helixtrans-60.6-35.5173.6-71.7-28.6000111.4E54 D55 K62E54-N58 VanDerWaalsContact O-CB 3.29Å; E54-N58 WeakPolarHBondContact O-CB 3.38Å; E54-N58 PolarHBondContact O-N 3.2Å; E54-N58 PolarHBondContact O-ND2 3.15Å; D55-N58 PolarHBondContact O-N 3.15Å; N58-K62 VanDerWaalsContact O-CB 3.27Å; N58-K62 WeakPolarHBondContact O-CB 3.31Å; N58-K62 PolarHBondContact O-N 2.84Å
59D97.3Very high96.6Very high62 Ų6269.3 Ų69.333%0.33237%0.369SS..Hα-helixtrans-73.1-23.6176.3-76.9-12.6000113.5D55 I56 I57 K62 I63 I64D55-D59 PolarHBondContact O-N 3.33Å; D55-D59 VanDerWaalsContact O-N 3.15Å; I56-D59 PolarHBondContact O-N 3.02Å; I57-D59 PolarHBondContact O-N 2.81Å; D59-K62 PolarHBondContact O-N 3.48Å; D59-I63 HydrophobicContact CB-CD1 3.93Å; D59-I63 HydrophobicContact CB-CG1 4.33Å; D59-I63 VanDerWaalsContact CG-CD1 3.47Å; D59-I63 WeakPolarHBondContact O-CA 3.29Å; D59-I63 VanDerWaalsContact O-CB 3.28Å; D59-I63 WeakPolarHBondContact O-CB 3.49Å; D59-I63 PolarHBondContact O-N 2.91Å; D59-I63 VanDerWaalsContact OD1-CD1 3.3Å; D59-I63 WeakPolarHBondContact OD1-CD1 3.34Å; D59-I64 PolarHBondContact O-N 3.38Å
60I97.1Very high96.6Very high43 Ų4362.6 Ų62.622%0.22134%0.337CS..Iπ-helixtrans-59.2-53.8177.4-63.9-58.1000111Y16 I56 I57 I64 M65Y16-I60 HydrophobicContact CE1-CG2 4.3Å; Y16-I60 WeakPolarHBondContact OH-CG2 3.25Å; I56-I60 WeakPolarHBondContact O-CG1 3.26Å; I56-I60 PolarHBondContact O-N 2.94Å; I57-I60 HydrophobicContact CD1-CG1 4.11Å; I57-I60 WeakPolarHBondContact O-CB 3.35Å; I57-I60 PolarHBondContact O-N 3.12Å; I57-I60 VanDerWaalsContact O-N 3.11Å; I60-I64 HydrophobicContact CD1-CG1 4.1Å; I60-I64 WeakPolarHBondContact O-CB 3.26Å; I60-I64 PolarHBondContact O-N 2.93Å; I60-M65 HydrophobicContact CG2-CE 4.14Å; I60-M65 HydrophobicContact CG2-CG 4.24Å; I60-M65 WeakPolarHBondContact O-CG 3.37Å; I60-M65 PolarHBondContact O-N 2.75Å
61E93.8Very high96.6Very high73 Ų7361.6 Ų61.634%0.34132%0.318SS..Iπ-helixtrans-75.1-32.3-179.7-72.5-65.116800112.6Y16 R27 M65 P66Y16-E61 HydrophobicContact CE2-CG 4.25Å; Y16-E61 VanDerWaalsContact CE2-OE1 3.24Å; Y16-E61 WeakPolarHBondContact CE2-OE1 3.42Å; Y16-E61 PolarHBondContact OH-OE1 3.43Å; R27-E61 IonicContact CZ-OE1 3.11Å; R27-E61 IonicContact CZ-OE2 3.73Å; R27-E61 IonicContact NH1-OE1 2.9Å; R27-E61 IonicContact NH1-OE2 3.02Å; R27-E61 PolarHBondContact NH1-OE2 3.09Å; R27-E61 IonicContact NH2-OE1 2.59Å; R27-E61 PolarHBondContact NH2-OE1 3.14Å; R27-E61 IonicContact NH2-OE2 3.3Å; R27-E61 PolarHBondContact NH2-OE2 2.95Å; E61-M65 WeakPolarHBondContact OE2-CG 3.48Å; E61-P66 WeakPolarHBondContact O-CD 3.34Å
62K96Very high96.7Very high153 Ų15358.9 Ų58.967%0.66530%0.303SS*.Iπ-helixtrans-78.6-37.7-175.5-178.7-174.2171.3-165.60113.3N58 D59N58-K62 VanDerWaalsContact O-CB 3.27Å; N58-K62 WeakPolarHBondContact O-CB 3.31Å; N58-K62 PolarHBondContact O-N 2.84Å; D59-K62 PolarHBondContact O-N 3.48Å
63I97.1Very high96.8Very high9 Ų955.7 Ų55.75%0.04628%0.283CS..Iπ-helixtrans-119.2-40.7-165.8-55.6-178.4000111.4L38 L41 I42 D59L38-I63 HydrophobicContact CD1-CG2 3.31Å; L41-I63 HydrophobicContact CB-CD1 4.41Å; L41-I63 HydrophobicContact CB-CG2 3.72Å; L41-I63 HydrophobicContact CD1-CG2 3.99Å; I42-I63 HydrophobicContact CD1-CG2 3.99Å; D59-I63 HydrophobicContact CB-CD1 3.93Å; D59-I63 HydrophobicContact CB-CG1 4.33Å; D59-I63 VanDerWaalsContact CG-CD1 3.47Å; D59-I63 WeakPolarHBondContact O-CA 3.29Å; D59-I63 VanDerWaalsContact O-CB 3.28Å; D59-I63 WeakPolarHBondContact O-CB 3.49Å; D59-I63 PolarHBondContact O-N 2.91Å; D59-I63 VanDerWaalsContact OD1-CD1 3.3Å; D59-I63 WeakPolarHBondContact OD1-CD1 3.34Å
64I98.1Very high96.9Very high67 Ų6753.9 Ų53.934%0.34428%0.275SS..Iπ-helixtrans-84.4-59.1-175.8-54.5-57.2000111.4L38 D59 I60 P66 G67 V68L38-I64 HydrophobicContact CD1-CD1 4.4Å; D59-I64 PolarHBondContact O-N 3.38Å; I60-I64 HydrophobicContact CD1-CG1 4.1Å; I60-I64 WeakPolarHBondContact O-CB 3.26Å; I60-I64 PolarHBondContact O-N 2.93Å; I64-P66 VanDerWaalsContact C-N 3.32Å; I64-G67 PolarHBondContact O-N 2.69Å; I64-V68 HydrophobicContact CG2-CG2 4.04Å; I64-V68 PolarHBondContact O-N 2.85Å
65M97.6Very high97Very high24 Ų2451.4 Ų51.412%0.11826%0.262CS..G310 helixtrans-53.8-35.5-174.4-73.2-59.8-178.900115Y16 Y20 I60 E61 G67 V68Y16-M65 HydrophobicContact CE1-CE 4.18Å; Y16-M65 WeakPolarHBondContact OH-CE 3.46Å; Y20-M65 HydrophobicContact CD2-CE 3.96Å; Y20-M65 HydrophobicContact CE2-CE 3.95Å; Y20-M65 HydrophobicContact CE2-SD 4.11Å; I60-M65 HydrophobicContact CG2-CE 4.14Å; I60-M65 HydrophobicContact CG2-CG 4.24Å; I60-M65 WeakPolarHBondContact O-CG 3.37Å; I60-M65 PolarHBondContact O-N 2.75Å; E61-M65 WeakPolarHBondContact OE2-CG 3.48Å; M65-G67 PolarHBondContact O-N 3.15Å; M65-G67 VanDerWaalsContact O-N 3.15Å; M65-V68 PolarHBondContact O-N 3.49Å; M65-V68 VanDerWaalsContact O-N 3.07Å; M65-V68 HydrophobicContact SD-CB 4.3Å; M65-V68 HydrophobicContact SD-CG2 4.03Å
66P96.8Very high97.2Very high64 Ų6447.9 Ų47.942%0.41624%0.244SC..G310 helixtrans-60.6-23.7176.8-27.137.3000114.9P31 E61 I64P31-P66 WeakPolarHBondContact CB-O 3.28Å; E61-P66 WeakPolarHBondContact O-CD 3.34Å; I64-P66 VanDerWaalsContact C-N 3.32Å
67G97.7Very high97.3Very high21 Ų2143.8 Ų43.822%0.21622%0.223CC..G310 helixtrans-104.63.9175.600000114.7Y37 I64 M65Y37-G67 WeakPolarHBondContact OH-CA 3.43Å; I64-G67 PolarHBondContact O-N 2.69Å; M65-G67 PolarHBondContact O-N 3.15Å; M65-G67 VanDerWaalsContact O-N 3.15Å
68V98.2Very high97.4Very high41 Ų4141.6 Ų41.625%0.24821%0.212CC..  trans-78.1125.4176.8172.90000109.2I64 M65I64-V68 HydrophobicContact CG2-CG2 4.04Å; I64-V68 PolarHBondContact O-N 2.85Å; M65-V68 PolarHBondContact O-N 3.49Å; M65-V68 VanDerWaalsContact O-N 3.07Å; M65-V68 HydrophobicContact SD-CB 4.3Å; M65-V68 HydrophobicContact SD-CG2 4.03Å
69T98Very high97.6Very high34 Ų3442 Ų4221%0.20921%0.206CC..  trans-76.7120.8159.5-59.30000108.5V29 Y30 P31 W71 F76V29-T69 CarbonylContact O-C 3.57Å; V29-T69 WeakPolarHBondContact O-CA 3.35Å; Y30-T69 HydrophobicContact CD2-CG2 4.38Å; P31-T69 VanDerWaalsContact CD-OG1 3.28Å; P31-T69 WeakPolarHBondContact CD-OG1 3.38Å; T69-W71 PolarHBondContact O-N 2.98Å; T69-F76 HydrophobicContact CG2-CD2 4.06Å; T69-F76 HydrophobicContact CG2-CE2 3.69Å
70H97.9Very high97.6Very high8 Ų839.7 Ų39.74%0.03719%0.193CC..  trans-83.679.8-174.9-64.9-61000111.8Y20 I24 Q28 V29 H72 S73Y20-H70 AromaticContact CE2-CE1 3.71Å; Y20-H70 AromaticContact CE2-ND1 3.56Å; Y20-H70 AromaticContact CZ-ND1 3.65Å; Y20-H70 PolarHBondContact OH-ND1 3.25Å; I24-H70 HydrophobicContact CD1-CB 4.12Å; I24-H70 HydrophobicContact CG1-CB 4.11Å; Q28-H70 PolarHBondContact O-CD2 2.85Å; Q28-H70 VanDerWaalsContact O-CD2 3.23Å; V29-H70 PolarHBondContact O-N 3.17Å; H70-H72 PolarHBondContact O-N 2.94Å; H70-S73 VanDerWaalsContact O-CB 3.26Å; H70-S73 WeakPolarHBondContact O-CB 3.37Å; H70-S73 PolarHBondContact O-N 3.18Å
71W98Very high97.5Very high96 Ų9637.8 Ų37.836%0.36418%0.183SC..THydrogen-bonded Turntrans-56.4-20.4-178.7-75.180.4000115.6T69 F76 Y79 T82T69-W71 PolarHBondContact O-N 2.98Å; W71-F76 HydrophobicContact CD2-CE1 4.05Å; W71-F76 AromaticContact CD2-CE2 3.91Å; W71-F76 HydrophobicContact CD2-CE2 3.91Å; W71-F76 AromaticContact CD2-CZ 3.44Å; W71-F76 HydrophobicContact CD2-CZ 3.44Å; W71-F76 VanDerWaalsContact CD2-CZ 3.44Å; W71-F76 AromaticContact CE2-CZ 3.89Å; W71-F76 HydrophobicContact CE3-CD1 4.5Å; W71-F76 AromaticContact CE3-CE1 3.47Å; W71-F76 HydrophobicContact CE3-CE1 3.47Å; W71-F76 VanDerWaalsContact CE3-CE1 3.47Å; W71-F76 HydrophobicContact CE3-CE2 4.16Å; W71-F76 AromaticContact CE3-CZ 3.23Å; W71-F76 HydrophobicContact CE3-CZ 3.23Å; W71-F76 HydrophobicContact CG-CE2 4.18Å; W71-F76 HydrophobicContact CG-CZ 4.11Å; W71-F76 AromaticContact CH2-CZ 3.98Å; W71-F76 HydrophobicContact CH2-CZ 3.98Å; W71-F76 HydrophobicContact CZ2-CZ 4.14Å; W71-F76 AromaticContact CZ3-CE1 3.84Å; W71-F76 HydrophobicContact CZ3-CE1 3.84Å; W71-F76 AromaticContact CZ3-CZ 3.53Å; W71-F76 HydrophobicContact CZ3-CZ 3.53Å; W71-Y79 AromaticContact CH2-CD2 3.26Å; W71-Y79 HydrophobicContact CH2-CD2 3.26Å; W71-Y79 AromaticContact CH2-CE2 3.83Å; W71-Y79 HydrophobicContact CH2-CE2 3.83Å; W71-Y79 HydrophobicContact CH2-CG 4Å; W71-Y79 AromaticContact CZ2-CD2 3.9Å; W71-Y79 HydrophobicContact CZ2-CD2 3.9Å; W71-Y79 HydrophobicContact CZ2-CE2 4.02Å; W71-Y79 AromaticContact CZ3-CD2 3.8Å; W71-Y79 HydrophobicContact CZ3-CD2 3.8Å; W71-Y79 HydrophobicContact CZ3-CG 4.4Å; W71-T82 HydrophobicContact CB-CG2 3.64Å; W71-T82 HydrophobicContact CD2-CG2 4.07Å; W71-T82 HydrophobicContact CE3-CG2 3.72Å; W71-T82 HydrophobicContact CG-CG2 4.08Å
72H97.5Very high97.6Very high41 Ų4136 Ų3619%0.1918%0.178CC..THydrogen-bonded Turntrans-98.60.8178.4-58.7-39.8000113.4M21 I24 H70 T82 S84 S452M21-H72 HydrophobicContact CE-CB 4.3Å; M21-H72 HydrophobicContact SD-CB 4.45Å; I24-H72 HydrophobicContact CD1-CB 3.68Å; H70-H72 PolarHBondContact O-N 2.94Å; H72-T82 PolarHBondContact CE1-O 3Å; H72-T82 VanDerWaalsContact CE1-O 3.3Å; H72-S84 WeakPolarHBondContact CE1-CB 3.5Å; H72-S84 WeakPolarHBondContact NE2-CB 3.47Å; H72-S84 PolarHBondContact NE2-OG 3.05Å; H72-S452 WeakPolarHBondContact O-CB 3.14Å; H72-S452 PolarHBondContact O-OG 3.2Å
73S98.3Very high97.5Very high0 Ų028.9 Ų28.90%015%0.147CC..SBendtrans-63.2139.3173177.70000110.4H70 Y75 F76 S452H70-S73 VanDerWaalsContact O-CB 3.26Å; H70-S73 WeakPolarHBondContact O-CB 3.37Å; H70-S73 PolarHBondContact O-N 3.18Å; S73-Y75 PolarHBondContact O-N 3.41Å; S73-Y75 VanDerWaalsContact O-N 3.08Å; S73-Y75 PolarHBondContact OG-N 3.19Å; S73-F76 WeakPolarHBondContact O-CB 3.44Å; S73-F76 PolarHBondContact O-N 3.41Å; S73-F76 VanDerWaalsContact O-N 3.1Å; S73-S452 WeakPolarHBondContact O-CB 3.35Å
74P98.1Very high97.3Very high2 Ų228.8 Ų28.81%0.01315%0.147CC..THydrogen-bonded Turntrans-63.7-8.2172.729.8-37000113.7E25 F77 V455 H459E25-P74 HydrophobicContact CB-CG 4Å; E25-P74 HydrophobicContact CG-CG 3.85Å; P74-F77 WeakPolarHBondContact O-CZ 3.01Å; P74-V455 HydrophobicContact CB-CB 4.37Å; P74-H459 HydrophobicContact CB-CB 4.25Å
75Y98.5Very high97.3Very high30 Ų3025.6 Ų25.612%0.11813%0.131CC..THydrogen-bonded Turntrans-102.66.5176.1-61.9-59.6000114.2E25 V29 S73 F77 K432 I433 H434 H459 R462E25-Y75 HydrophobicContact CG-CD2 4.38Å; E25-Y75 HydrophobicContact CG-CE2 3.6Å; E25-Y75 PolarHBondContact OE1-OH 3.01Å; E25-Y75 VanDerWaalsContact OE1-OH 3.14Å; V29-Y75 VanDerWaalsContact CG2-CB 3.47Å; S73-Y75 PolarHBondContact O-N 3.41Å; S73-Y75 VanDerWaalsContact O-N 3.08Å; S73-Y75 PolarHBondContact OG-N 3.19Å; Y75-F77 HydrophobicContact CD1-CE2 4.48Å; Y75-F77 WeakPolarHBondContact O-CD2 3.43Å; Y75-K432 WeakPolarHBondContact CB-O 3.45Å; Y75-I433 HydrophobicContact CD1-CG2 4.04Å; Y75-I433 HydrophobicContact CG-CG2 4.41Å; Y75-I433 WeakPolarHBondContact O-CA 3.17Å; Y75-H434 PolarHBondContact O-N 2.72Å; Y75-H434 VanDerWaalsContact O-N 3.15Å; Y75-H459 HydrophobicContact CE1-CB 4.28Å; Y75-H459 AromaticContact CE1-CD2 3.98Å; Y75-H459 AromaticContact CZ-CD2 3.75Å; Y75-R462 HydrophobicContact CE1-CB 4.49Å; Y75-R462 PolarHBondContact OH-NE 3.49Å; Y75-R462 PolarHBondContact OH-NH1 3.47Å; Y75-R462 PolarHBondContact OH-NH2 2.88Å
76F98.6Very high97.4Very high0 Ų028.3 Ų28.30%014%0.141CC..BIsolated β-bridgetrans-86.1114.5170-175.7-86.3000110.2V29 T69 W71 S73 A78 Y79 H434 C451V29-F76 HydrophobicContact CG1-CB 3.78Å; V29-F76 HydrophobicContact CG1-CD2 3.83Å; V29-F76 HydrophobicContact CG1-CG 4.31Å; T69-F76 HydrophobicContact CG2-CD2 4.06Å; T69-F76 HydrophobicContact CG2-CE2 3.69Å; W71-F76 HydrophobicContact CD2-CE1 4.05Å; W71-F76 AromaticContact CD2-CE2 3.91Å; W71-F76 HydrophobicContact CD2-CE2 3.91Å; W71-F76 AromaticContact CD2-CZ 3.44Å; W71-F76 HydrophobicContact CD2-CZ 3.44Å; W71-F76 VanDerWaalsContact CD2-CZ 3.44Å; W71-F76 AromaticContact CE2-CZ 3.89Å; W71-F76 HydrophobicContact CE3-CD1 4.5Å; W71-F76 AromaticContact CE3-CE1 3.47Å; W71-F76 HydrophobicContact CE3-CE1 3.47Å; W71-F76 VanDerWaalsContact CE3-CE1 3.47Å; W71-F76 HydrophobicContact CE3-CE2 4.16Å; W71-F76 AromaticContact CE3-CZ 3.23Å; W71-F76 HydrophobicContact CE3-CZ 3.23Å; W71-F76 HydrophobicContact CG-CE2 4.18Å; W71-F76 HydrophobicContact CG-CZ 4.11Å; W71-F76 AromaticContact CH2-CZ 3.98Å; W71-F76 HydrophobicContact CH2-CZ 3.98Å; W71-F76 HydrophobicContact CZ2-CZ 4.14Å; W71-F76 AromaticContact CZ3-CE1 3.84Å; W71-F76 HydrophobicContact CZ3-CE1 3.84Å; W71-F76 AromaticContact CZ3-CZ 3.53Å; W71-F76 HydrophobicContact CZ3-CZ 3.53Å; S73-F76 WeakPolarHBondContact O-CB 3.44Å; S73-F76 PolarHBondContact O-N 3.41Å; S73-F76 VanDerWaalsContact O-N 3.1Å; F76-A78 HydrophobicContact CE1-CB 4.37Å; F76-A78 HydrophobicContact CE2-CB 4.32Å; F76-A78 HydrophobicContact CZ-CB 4.08Å; F76-Y79 AromaticContact CZ-CD2 3.84Å; F76-Y79 HydrophobicContact CZ-CD2 3.84Å; F76-Y79 HydrophobicContact CZ-CE2 4.43Å; F76-H434 HydrophobicContact CD2-CB 4.5Å; F76-H434 AromaticContact CE2-CD2 3.81Å; F76-C451 HydrophobicContact CD1-CB 3.89Å; F76-C451 WeakPolarHBondContact O-CB 3.2Å
77F98.7Very high97.4Very high0 Ų025.8 Ų25.80%012%0.124CC..  trans-130.314.4-176.8-60.9-72.2000113.6P74 Y75 I433 H434 L435 F448 A449 I450 V455 A463P74-F77 WeakPolarHBondContact O-CZ 3.01Å; Y75-F77 HydrophobicContact CD1-CE2 4.48Å; Y75-F77 WeakPolarHBondContact O-CD2 3.43Å; F77-I433 HydrophobicContact CD2-CB 4.29Å; F77-I433 HydrophobicContact CD2-CG2 4.49Å; F77-I433 HydrophobicContact CE2-CG2 4.31Å; F77-H434 CarbonylContact C-O 3.29Å; F77-H434 VanDerWaalsContact C-O 3.29Å; F77-H434 WeakPolarHBondContact CA-O 3.26Å; F77-H434 PolarHBondContact N-O 2.97Å; F77-L435 HydrophobicContact CB-CD2 3.46Å; F77-L435 VanDerWaalsContact CB-CD2 3.46Å; F77-L435 HydrophobicContact CG-CD2 4.45Å; F77-F448 HydrophobicContact CB-CD2 4Å; F77-F448 HydrophobicContact CB-CE2 4.1Å; F77-F448 HydrophobicContact CB-CG 4.32Å; F77-F448 HydrophobicContact CD1-CD1 4.05Å; F77-F448 HydrophobicContact CD1-CD2 4.34Å; F77-F448 AromaticContact CD1-CE1 3.53Å; F77-F448 HydrophobicContact CD1-CE1 3.53Å; F77-F448 AromaticContact CD1-CE2 3.85Å; F77-F448 HydrophobicContact CD1-CE2 3.85Å; F77-F448 HydrophobicContact CD1-CG 4.43Å; F77-F448 AromaticContact CD1-CZ 3.42Å; F77-F448 HydrophobicContact CD1-CZ 3.42Å; F77-F448 VanDerWaalsContact CD1-CZ 3.42Å; F77-F448 HydrophobicContact CD2-CD2 4.26Å; F77-F448 AromaticContact CD2-CE2 3.52Å; F77-F448 HydrophobicContact CD2-CE2 3.52Å; F77-F448 AromaticContact CD2-CZ 3.75Å; F77-F448 HydrophobicContact CD2-CZ 3.75Å; F77-F448 AromaticContact CE1-CE1 3.57Å; F77-F448 HydrophobicContact CE1-CE1 3.57Å; F77-F448 HydrophobicContact CE1-CE2 4.11Å; F77-F448 AromaticContact CE1-CZ 3.33Å; F77-F448 HydrophobicContact CE1-CZ 3.33Å; F77-F448 AromaticContact CE2-CE2 3.78Å; F77-F448 HydrophobicContact CE2-CE2 3.78Å; F77-F448 AromaticContact CE2-CZ 3.64Å; F77-F448 HydrophobicContact CE2-CZ 3.64Å; F77-F448 HydrophobicContact CG-CD1 4.47Å; F77-F448 AromaticContact CG-CD2 3.97Å; F77-F448 HydrophobicContact CG-CD2 3.97Å; F77-F448 HydrophobicContact CG-CE1 4.12Å; F77-F448 AromaticContact CG-CE2 3.56Å; F77-F448 HydrophobicContact CG-CE2 3.56Å; F77-F448 HydrophobicContact CG-CG 4.41Å; F77-F448 AromaticContact CG-CZ 3.65Å; F77-F448 HydrophobicContact CG-CZ 3.65Å; F77-F448 HydrophobicContact CZ-CE1 4.15Å; F77-F448 HydrophobicContact CZ-CE2 4.07Å; F77-F448 AromaticContact CZ-CZ 3.44Å; F77-F448 HydrophobicContact CZ-CZ 3.44Å; F77-F448 VanDerWaalsContact CZ-CZ 3.44Å; F77-A449 WeakPolarHBondContact CA-O 3.37Å; F77-A449 WeakPolarHBondContact CD1-O 3.33Å; F77-A449 PolarHBondContact O-N 3.4Å; F77-I450 HydrophobicContact CE1-CD1 4.28Å; F77-V455 HydrophobicContact CE1-CG2 4.2Å; F77-V455 HydrophobicContact CZ-CG2 4.44Å; F77-A463 HydrophobicContact CD2-CB 4.48Å; F77-A463 HydrophobicContact CE2-CB 3.71Å; F77-A463 HydrophobicContact CZ-CB 4.25Å
78A97.4Very high97.5Very high0 Ų024.8 Ų24.80%011%0.114CC..SBendtrans-73-78.1-168.600000114.1F76 H434 V436 R447F76-A78 HydrophobicContact CE1-CB 4.37Å; F76-A78 HydrophobicContact CE2-CB 4.32Å; F76-A78 HydrophobicContact CZ-CB 4.08Å; A78-H434 WeakPolarHBondContact CB-CD2 3.15Å; A78-H434 PolarHBondContact N-O 3.08Å; A78-V436 HydrophobicContact CB-CB 4.46Å; A78-V436 HydrophobicContact CB-CG1 3.86Å; A78-V436 HydrophobicContact CB-CG2 4.09Å; A78-V436 WeakPolarHBondContact O-CG2 3.43Å; A78-R447 PolarHBondContact O-NH1 3.03Å
79Y98Very high97.5Very high113 Ų11325.2 Ų25.244%0.44311%0.114SC..SBendtrans-85.3-128.1-167.6-58.7-77000112W71 F76 V436 R447 A449W71-Y79 AromaticContact CH2-CD2 3.26Å; W71-Y79 HydrophobicContact CH2-CD2 3.26Å; W71-Y79 AromaticContact CH2-CE2 3.83Å; W71-Y79 HydrophobicContact CH2-CE2 3.83Å; W71-Y79 HydrophobicContact CH2-CG 4Å; W71-Y79 AromaticContact CZ2-CD2 3.9Å; W71-Y79 HydrophobicContact CZ2-CD2 3.9Å; W71-Y79 HydrophobicContact CZ2-CE2 4.02Å; W71-Y79 AromaticContact CZ3-CD2 3.8Å; W71-Y79 HydrophobicContact CZ3-CD2 3.8Å; W71-Y79 HydrophobicContact CZ3-CG 4.4Å; F76-Y79 AromaticContact CZ-CD2 3.84Å; F76-Y79 HydrophobicContact CZ-CD2 3.84Å; F76-Y79 HydrophobicContact CZ-CE2 4.43Å; Y79-V436 HydrophobicContact CD1-CG2 3.99Å; Y79-V436 HydrophobicContact CE1-CG1 3.96Å; Y79-V436 HydrophobicContact CE1-CG2 4.13Å; Y79-V436 HydrophobicContact CE2-CG1 4.49Å; Y79-R447 PolarHBondContact O-NH2 3.16Å; Y79-A449 WeakPolarHBondContact O-CB 3.24Å
80F98.3Very high97.5Very high14 Ų1427.4 Ų27.46%0.06112%0.124CC..SBendtrans-105.6161.8154.5-81.3-51.3000108.3C249 Y274 K303 L408F80-C249 HydrophobicContact CZ-CB 4.39Å; F80-Y274 HydrophobicContact CB-CD2 4.08Å; F80-Y274 HydrophobicContact CB-CG 4.48Å; F80-Y274 AromaticContact CD1-CD1 3.74Å; F80-Y274 HydrophobicContact CD1-CD1 3.74Å; F80-Y274 AromaticContact CD1-CD2 3.48Å; F80-Y274 HydrophobicContact CD1-CD2 3.48Å; F80-Y274 VanDerWaalsContact CD1-CD2 3.48Å; F80-Y274 AromaticContact CD1-CE1 3.91Å; F80-Y274 HydrophobicContact CD1-CE1 3.91Å; F80-Y274 AromaticContact CD1-CE2 3.66Å; F80-Y274 HydrophobicContact CD1-CE2 3.66Å; F80-Y274 AromaticContact CD1-CG 3.51Å; F80-Y274 HydrophobicContact CD1-CG 3.51Å; F80-Y274 AromaticContact CD1-CZ 3.87Å; F80-Y274 HydrophobicContact CD2-CD2 4.42Å; F80-Y274 AromaticContact CD2-CG 3.99Å; F80-Y274 HydrophobicContact CD2-CG 3.99Å; F80-Y274 AromaticContact CE1-CD1 3.26Å; F80-Y274 HydrophobicContact CE1-CD1 3.26Å; F80-Y274 AromaticContact CE1-CD2 3.94Å; F80-Y274 HydrophobicContact CE1-CD2 3.94Å; F80-Y274 AromaticContact CE1-CE1 3.4Å; F80-Y274 HydrophobicContact CE1-CE1 3.4Å; F80-Y274 HydrophobicContact CE1-CE2 4.06Å; F80-Y274 AromaticContact CE1-CG 3.54Å; F80-Y274 HydrophobicContact CE1-CG 3.54Å; F80-Y274 AromaticContact CE1-CZ 3.8Å; F80-Y274 HydrophobicContact CE2-CD1 4.07Å; F80-Y274 AromaticContact CE2-CG 3.96Å; F80-Y274 HydrophobicContact CE2-CG 3.96Å; F80-Y274 HydrophobicContact CG-CD1 4.36Å; F80-Y274 AromaticContact CG-CD2 3.76Å; F80-Y274 HydrophobicContact CG-CD2 3.76Å; F80-Y274 HydrophobicContact CG-CE2 4.36Å; F80-Y274 AromaticContact CG-CG 3.75Å; F80-Y274 HydrophobicContact CG-CG 3.75Å; F80-Y274 AromaticContact CZ-CD1 3.45Å; F80-Y274 HydrophobicContact CZ-CD1 3.45Å; F80-Y274 VanDerWaalsContact CZ-CD1 3.45Å; F80-Y274 HydrophobicContact CZ-CE1 4Å; F80-Y274 AromaticContact CZ-CG 3.76Å; F80-Y274 HydrophobicContact CZ-CG 3.76Å; F80-K303 HydrophobicContact CB-CD 4.3Å; F80-L408 HydrophobicContact CE1-CB 4.15Å; F80-L408 HydrophobicContact CE1-CD2 4.06Å; F80-L408 HydrophobicContact CZ-CD2 4.1Å
81P95.3Very high97.5Very high3 Ų327 Ų272%0.01912%0.122CC..  trans-62.2151.5-175.2-1427.3000110.8Y274 K303 W304 I450 C451P81-Y274 HydrophobicContact CG-CE2 4.12Å; P81-K303 CarbonylContact C-O 3.59Å; P81-K303 WeakPolarHBondContact CB-O 3.14Å; P81-K303 CarbonylContact O-C 3.41Å; P81-K303 WeakPolarHBondContact O-CA 3.46Å; P81-K303 VanDerWaalsContact O-O 3.11Å; P81-W304 HydrophobicContact CG-CG 4.43Å; P81-I450 WeakPolarHBondContact CG-O 3.49Å; P81-C451 HydrophobicContact CB-CB 3.94Å; P81-C451 HydrophobicContact CG-CB 4.2Å
82T95.3Very high97.5Very high36 Ų3624.2 Ų24.222%0.22111%0.114CC..  trans-105.9115.4158.3-176.10000107.6W71 H72 H302W71-T82 HydrophobicContact CB-CG2 3.64Å; W71-T82 HydrophobicContact CD2-CG2 4.07Å; W71-T82 HydrophobicContact CE3-CG2 3.72Å; W71-T82 HydrophobicContact CG-CG2 4.08Å; H72-T82 PolarHBondContact CE1-O 3Å; H72-T82 VanDerWaalsContact CE1-O 3.3Å; T82-H302 CarbonylContact C-O 3.56Å; T82-H302 WeakPolarHBondContact CA-O 3.44Å
83A93.6Very high97.5Very high3 Ų327.7 Ų27.73%0.02513%0.132CC..  trans-67.3141.6-174.800000110.2P301 H302 K303 N308A83-P301 WeakPolarHBondContact CB-O 3.32Å; A83-H302 PolarHBondContact N-O 3.49Å; A83-K303 VanDerWaalsContact CB-O 3.31Å; A83-K303 WeakPolarHBondContact CB-O 3.19Å; A83-K303 PolarHBondContact N-O 3.4Å; A83-N308 WeakPolarHBondContact O-CA 3.13Å
84S93.8Very high97.5Very high7 Ų731.2 Ų31.25%0.04915%0.15CC..  trans-152.5138.9177.2177.90000113.3H72 M89 N308H72-S84 WeakPolarHBondContact CE1-CB 3.5Å; H72-S84 WeakPolarHBondContact NE2-CB 3.47Å; H72-S84 PolarHBondContact NE2-OG 3.05Å; S84-M89 WeakPolarHBondContact OG-CE 3.35Å; S84-N308 WeakPolarHBondContact CA-OD1 3.42Å
85S98.1Very high97.5Very high1 Ų131.8 Ų31.81%0.00715%0.154CC..  trans-154.1153.1177.271.60000113.2A88 M89 L306 N308 Y369S85-A88 PolarHBondContact O-N 3.15Å; S85-A88 VanDerWaalsContact O-N 3.15Å; S85-A88 PolarHBondContact OG-N 3.44Å; S85-M89 WeakPolarHBondContact O-CG 3.33Å; S85-M89 PolarHBondContact O-N 3.07Å; S85-L306 WeakPolarHBondContact CB-O 3.36Å; S85-L306 PolarHBondContact OG-O 2.72Å; S85-N308 PolarHBondContact N-OD1 3.12Å; S85-N308 VanDerWaalsContact N-OD1 3.14Å; S85-Y369 WeakPolarHBondContact CB-OH 3.43Å
86Y98.3Very high97.4Very high81 Ų8133.2 Ų33.232%0.31818%0.178SC..Hα-helixtrans-58.4-41.5175.8-59.8-52000113.4M21 A88 M89 L90M21-Y86 HydrophobicContact CB-CE1 4.3Å; M21-Y86 WeakPolarHBondContact CB-OH 3.37Å; M21-Y86 HydrophobicContact CG-CE1 4.3Å; Y86-A88 VanDerWaalsContact C-N 3.3Å; Y86-A88 PolarHBondContact O-N 3.23Å; Y86-M89 HydrophobicContact CD1-SD 3.91Å; Y86-M89 HydrophobicContact CE1-SD 4.43Å; Y86-M89 PolarHBondContact O-N 2.84Å; Y86-L90 WeakPolarHBondContact O-CG 3.5Å; Y86-L90 PolarHBondContact O-N 3.11Å
87P98.6Very high97.3Very high11 Ų1137.2 Ų37.27%0.07121%0.211CC..Hα-helixtrans-55.3-42172.7-29.838.1000113.8A91 F364 V365 M368 Y369P87-A91 WeakPolarHBondContact O-CB 3.25Å; P87-A91 PolarHBondContact O-N 2.6Å; P87-A91 VanDerWaalsContact O-N 3.1Å; P87-F364 HydrophobicContact CB-CB 4.21Å; P87-F364 WeakPolarHBondContact O-CD1 3.33Å; P87-V365 HydrophobicContact CB-CG2 4.18Å; P87-M368 HydrophobicContact CB-CB 4.28Å; P87-M368 HydrophobicContact CB-CG 4.45Å; P87-M368 HydrophobicContact CB-SD 3.63Å; P87-M368 HydrophobicContact CG-CB 3.97Å; P87-M368 HydrophobicContact CG-CE 4.08Å; P87-M368 HydrophobicContact CG-CG 4.46Å; P87-M368 HydrophobicContact CG-SD 3.74Å; P87-Y369 HydrophobicContact CG-CD2 4.41Å; P87-Y369 HydrophobicContact CG-CE2 3.87Å
88A98.4Very high97.3Very high0 Ų041 Ų410%023%0.23CC..Hα-helixtrans-68.3-39.9177.800000112.1S85 Y86 A91 D92 N308 K361 V365S85-A88 PolarHBondContact O-N 3.15Å; S85-A88 VanDerWaalsContact O-N 3.15Å; S85-A88 PolarHBondContact OG-N 3.44Å; Y86-A88 VanDerWaalsContact C-N 3.3Å; Y86-A88 PolarHBondContact O-N 3.23Å; A88-A91 PolarHBondContact O-N 2.92Å; A88-D92 PolarHBondContact O-N 3.27Å; A88-N308 HydrophobicContact CB-CB 4.26Å; A88-N308 WeakPolarHBondContact CB-OD1 3.37Å; A88-K361 HydrophobicContact CB-CB 4.27Å; A88-V365 HydrophobicContact CB-CG2 3.81Å
89M98.4Very high97.1Very high49 Ų4943.6 Ų43.624%0.24126%0.257CS..Hα-helixtrans-61.4-45.6175.8-66.9172.3171.200112.1V17 M21 S84 S85 Y86 A91 D92 M93 N308V17-M89 HydrophobicContact CG1-CE 4.34Å; V17-M89 HydrophobicContact CG1-SD 3.89Å; M21-M89 HydrophobicContact CE-CE 4.2Å; M21-M89 HydrophobicContact CG-CE 4.46Å; M21-M89 HydrophobicContact SD-CE 4.21Å; S84-M89 WeakPolarHBondContact OG-CE 3.35Å; S85-M89 WeakPolarHBondContact O-CG 3.33Å; S85-M89 PolarHBondContact O-N 3.07Å; Y86-M89 HydrophobicContact CD1-SD 3.91Å; Y86-M89 HydrophobicContact CE1-SD 4.43Å; Y86-M89 PolarHBondContact O-N 2.84Å; M89-A91 VanDerWaalsContact C-N 3.31Å; M89-A91 PolarHBondContact O-N 3.16Å; M89-D92 PolarHBondContact O-N 3.41Å; M89-M93 PolarHBondContact O-N 2.93Å; M89-N308 VanDerWaalsContact CG-ND2 3.26Å; M89-N308 WeakPolarHBondContact CG-ND2 3.27Å
90L98.6Very high97Very high81 Ų8139.4 Ų39.442%0.42424%0.244SC..Hα-helixtrans-62.3-39.7176.9-69.1174000111.8Y86 M93 L94 F364Y86-L90 WeakPolarHBondContact O-CG 3.5Å; Y86-L90 PolarHBondContact O-N 3.11Å; L90-M93 HydrophobicContact CD2-CE 4.17Å; L90-M93 WeakPolarHBondContact O-CB 3.44Å; L90-M93 PolarHBondContact O-N 3.37Å; L90-L94 PolarHBondContact O-N 3.24Å; L90-L94 VanDerWaalsContact O-N 3.1Å; L90-F364 HydrophobicContact CB-CD1 4.48Å; L90-F364 HydrophobicContact CB-CE1 4.4Å
91A98.4Very high96.8Very high0 Ų042.8 Ų42.80%026%0.262CS..Hα-helixtrans-68.8-40.4176.600000112.8P87 A88 M89 M93 L94 C95 L360 K361 F364P87-A91 WeakPolarHBondContact O-CB 3.25Å; P87-A91 PolarHBondContact O-N 2.6Å; P87-A91 VanDerWaalsContact O-N 3.1Å; A88-A91 PolarHBondContact O-N 2.92Å; M89-A91 VanDerWaalsContact C-N 3.31Å; M89-A91 PolarHBondContact O-N 3.16Å; A91-M93 VanDerWaalsContact C-N 3.32Å; A91-L94 PolarHBondContact O-N 3.37Å; A91-C95 WeakPolarHBondContact O-CB 3.19Å; A91-C95 PolarHBondContact O-N 3.42Å; A91-L360 HydrophobicContact CB-CG 4.31Å; A91-K361 HydrophobicContact CB-CB 3.64Å; A91-F364 HydrophobicContact CB-CB 3.97Å; A91-F364 HydrophobicContact CB-CD1 3.89Å; A91-F364 HydrophobicContact CB-CD2 4Å; A91-F364 HydrophobicContact CB-CE1 4.36Å; A91-F364 HydrophobicContact CB-CE2 4.47Å; A91-F364 HydrophobicContact CB-CG 3.7Å
92D97.7Very high96.8Very high37 Ų3742.6 Ų42.620%0.19826%0.261CS..Hα-helixtrans-66.1-34.8175-88.6-35.4000111A88 M89 C95 G96 R356 K361A88-D92 PolarHBondContact O-N 3.27Å; M89-D92 PolarHBondContact O-N 3.41Å; D92-C95 WeakPolarHBondContact O-CB 3.25Å; D92-C95 PolarHBondContact O-N 2.83Å; D92-G96 PolarHBondContact O-N 2.75Å; D92-R356 IonicContact OD1-CZ 2.73Å; D92-R356 IonicContact OD1-NH1 2.84Å; D92-R356 PolarHBondContact OD1-NH1 2.88Å; D92-R356 IonicContact OD1-NH2 2.92Å; D92-K361 IonicContact OD1-NZ 3.98Å; D92-K361 WeakPolarHBondContact OD2-CD 3.32Å; D92-K361 IonicContact OD2-NZ 3.79Å; D92-K361 PolarHBondContact OD2-NZ 3Å
93M98.1Very high96.7Very high114 Ų11443.5 Ų43.556%0.56226%0.262SS*.Hα-helixtrans-60.1-46.3171.1-177.4179.76800111.6M89 L90 A91 G96 A97M89-M93 PolarHBondContact O-N 2.93Å; L90-M93 HydrophobicContact CD2-CE 4.17Å; L90-M93 WeakPolarHBondContact O-CB 3.44Å; L90-M93 PolarHBondContact O-N 3.37Å; A91-M93 VanDerWaalsContact C-N 3.32Å; M93-G96 PolarHBondContact O-N 2.84Å; M93-A97 PolarHBondContact O-N 3.33Å
94L98.1Very high96.7Very high74 Ų7443.5 Ų43.539%0.38726%0.262SS..Hα-helixtrans-66.6-39.3175.718058.1000112L90 A91 G96 A97 I98 L360 F364L90-L94 PolarHBondContact O-N 3.24Å; L90-L94 VanDerWaalsContact O-N 3.1Å; A91-L94 PolarHBondContact O-N 3.37Å; L94-G96 VanDerWaalsContact C-N 3.28Å; L94-G96 PolarHBondContact O-N 2.62Å; L94-A97 PolarHBondContact O-N 2.73Å; L94-A97 VanDerWaalsContact O-N 3.15Å; L94-I98 HydrophobicContact CD1-CD1 4.2Å; L94-I98 HydrophobicContact CD1-CG1 4.22Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 HydrophobicContact CG-CG1 4.45Å; L94-I98 WeakPolarHBondContact O-CG1 3.24Å; L94-I98 PolarHBondContact O-N 2.92Å; L94-L360 HydrophobicContact CB-CD2 4.21Å; L94-L360 HydrophobicContact CD2-CD2 4.02Å; L94-L360 HydrophobicContact CG-CD2 3.99Å; L94-F364 HydrophobicContact CD2-CZ 4.35Å
95C96.7Very high96.7Very high13 Ų1345.7 Ų45.79%0.08827%0.269CS..Hα-helixtrans-58.7-41.9174.9-176.50000111.1A91 D92 A97 I98 G99 L360A91-C95 WeakPolarHBondContact O-CB 3.19Å; A91-C95 PolarHBondContact O-N 3.42Å; D92-C95 WeakPolarHBondContact O-CB 3.25Å; D92-C95 PolarHBondContact O-N 2.83Å; C95-A97 VanDerWaalsContact C-N 3.33Å; C95-A97 PolarHBondContact O-N 3.33Å; C95-I98 PolarHBondContact O-N 3.45Å; C95-G99 PolarHBondContact O-N 3.1Å; C95-L360 HydrophobicContact CB-CD2 4.37Å
96G96.6Very high96.5Very high61 Ų6148 Ų4863%0.62929%0.288SS*.Hα-helixtrans-61.9-38.6175.100000113D92 M93 L94D92-G96 PolarHBondContact O-N 2.75Å; M93-G96 PolarHBondContact O-N 2.84Å; L94-G96 VanDerWaalsContact C-N 3.28Å; L94-G96 PolarHBondContact O-N 2.62Å
97A97.3Very high96.3Very high83 Ų8346.1 Ų46.169%0.68629%0.29SS*.Hα-helixtrans-72.3-38.8177.300000113.4M93 L94 C95M93-A97 PolarHBondContact O-N 3.33Å; L94-A97 PolarHBondContact O-N 2.73Å; L94-A97 VanDerWaalsContact O-N 3.15Å; C95-A97 VanDerWaalsContact C-N 3.33Å; C95-A97 PolarHBondContact O-N 3.33Å
98I97.7Very high96.3Very high80 Ų8046.5 Ų46.541%0.4129%0.292SS..Hα-helixtrans-66.9-41.3176.5-67.4170.8000110.5L94 C95 C100 F357 L360L94-I98 HydrophobicContact CD1-CD1 4.2Å; L94-I98 HydrophobicContact CD1-CG1 4.22Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 HydrophobicContact CG-CG1 4.45Å; L94-I98 WeakPolarHBondContact O-CG1 3.24Å; L94-I98 PolarHBondContact O-N 2.92Å; C95-I98 PolarHBondContact O-N 3.45Å; I98-C100 HydrophobicContact CG2-CB 3.89Å; I98-C100 PolarHBondContact O-N 3.23Å; I98-F357 HydrophobicContact CD1-CD2 4.32Å; I98-F357 HydrophobicContact CD1-CE2 4.41Å; I98-L360 HydrophobicContact CD1-CD2 4.34Å
99G93.6Very high96.2Very high54 Ų5448.9 Ų48.956%0.55731%0.308SS*.  trans59.919.1172.600000115.3C95C95-G99 PolarHBondContact O-N 3.1Å
100C95.6Very high96.1Very high26 Ų2649.2 Ų49.218%0.17632%0.319CS..  trans-77.8153.6-176.971.10000112.3I98 S108I98-C100 HydrophobicContact CG2-CB 3.89Å; I98-C100 PolarHBondContact O-N 3.23Å; C100-S108 PolarHBondContact SG-OG 2.99Å; C100-S108 VanDerWaalsContact SG-OG 3.41Å
101I95.7Very high96.1Very high84 Ų8445.4 Ų45.443%0.43130%0.298SS..  trans-117.4112174.5-49.6-62000108.8F103 A107 R355I101-F103 HydrophobicContact CB-CD1 4.37Å; I101-F103 HydrophobicContact CG2-CD1 3.8Å; I101-F103 PolarHBondContact O-N 2.84Å; I101-A107 VanDerWaalsContact O-CB 3.25Å; I101-A107 WeakPolarHBondContact O-CB 3.42Å; I101-R355 WeakPolarHBondContact CA-O 3.49Å
102G94.6Very high96Very high0 Ų045.5 Ų45.50%030%0.299CS..  trans-93.346.2-173.500000114.6S104 R355G102-S104 VanDerWaalsContact C-N 3.27Å; G102-S104 PolarHBondContact O-N 2.94Å; G102-R355 VanDerWaalsContact C-CG 3.5Å; G102-R355 PolarHBondContact N-O 3.39Å; G102-R355 WeakPolarHBondContact O-CD 3.3Å; G102-R355 WeakPolarHBondContact O-CG 3.14Å
103F92.9Very high95.9Very high54 Ų5448.2 Ų48.224%0.23731%0.31CS..SBendtrans-68.3-27.8-17958.8-104.4000112.9I101 A107 L333 R347 L353I101-F103 HydrophobicContact CB-CD1 4.37Å; I101-F103 HydrophobicContact CG2-CD1 3.8Å; I101-F103 PolarHBondContact O-N 2.84Å; F103-A107 HydrophobicContact CD1-CB 4.17Å; F103-A107 HydrophobicContact CD2-CB 4.21Å; F103-A107 HydrophobicContact CE1-CB 3.83Å; F103-A107 HydrophobicContact CE2-CB 3.86Å; F103-A107 HydrophobicContact CG-CB 4.34Å; F103-A107 HydrophobicContact CZ-CB 3.65Å; F103-L333 HydrophobicContact CD2-CD2 4.03Å; F103-L333 HydrophobicContact CE2-CD2 3.69Å; F103-L333 HydrophobicContact CZ-CD2 4.3Å; F103-R347 HydrophobicContact CB-CB 4.43Å; F103-R347 WeakPolarHBondContact O-CB 3.2Å; F103-R347 VanDerWaalsContact O-CG 3.22Å; F103-R347 WeakPolarHBondContact O-CG 3.49Å; F103-R347 PolarHBondContact O-N 2.85Å; F103-L353 HydrophobicContact CB-CD1 3.89Å; F103-L353 HydrophobicContact CB-CG 4.1Å; F103-L353 WeakPolarHBondContact CB-O 3.16Å; F103-L353 HydrophobicContact CD2-CD1 4.44Å; F103-L353 HydrophobicContact CG-CD1 4.25Å; F103-L353 HydrophobicContact CG-CG 4.41Å
104S92.8Very high96Very high4 Ų444.3 Ų44.33%0.02829%0.292CS..SBendtrans-132.4162.2170.162.10000109.6G102 A106 A107 D345G102-S104 VanDerWaalsContact C-N 3.27Å; G102-S104 PolarHBondContact O-N 2.94Å; S104-A106 PolarHBondContact O-N 3.05Å; S104-A107 PolarHBondContact O-N 2.83Å; S104-A107 VanDerWaalsContact O-N 3.14Å; S104-A107 PolarHBondContact OG-N 3.06Å; S104-D345 WeakPolarHBondContact CA-OD1 3.5Å; S104-D345 VanDerWaalsContact CB-OD1 3.26Å; S104-D345 WeakPolarHBondContact CB-OD1 3.24Å
105W94.5Very high96Very high52 Ų5240.8 Ų40.820%0.19727%0.273CS..G310 helixtrans-54.7-43.2171.9-179.595000111.2A107 S108 P109 T112 E113 H337 I343 D345W105-A107 VanDerWaalsContact C-N 3.27Å; W105-A107 PolarHBondContact O-N 3.09Å; W105-S108 CarbonylContact O-C 3.59Å; W105-S108 VanDerWaalsContact O-C 3.24Å; W105-S108 PolarHBondContact O-N 2.96Å; W105-P109 HydrophobicContact CD2-CB 4.24Å; W105-P109 HydrophobicContact CD2-CG 4.18Å; W105-P109 HydrophobicContact CE3-CG 4.28Å; W105-P109 HydrophobicContact CH2-CB 4.42Å; W105-P109 HydrophobicContact CH2-CG 4.06Å; W105-P109 HydrophobicContact CZ2-CB 3.83Å; W105-P109 HydrophobicContact CZ2-CG 3.96Å; W105-P109 HydrophobicContact CZ3-CG 4.21Å; W105-P109 VanDerWaalsContact O-CA 3.31Å; W105-P109 WeakPolarHBondContact O-CA 3.16Å; W105-P109 WeakPolarHBondContact O-CD 3.47Å; W105-P109 WeakPolarHBondContact O-CG 3.45Å; W105-T112 HydrophobicContact CB-CG2 4.45Å; W105-E113 PolarHBondContact NE1-OE1 2.88Å; W105-H337 HydrophobicContact CE3-CB 4.44Å; W105-H337 AromaticContact CZ3-CD2 3.49Å; W105-H337 VanDerWaalsContact CZ3-CD2 3.49Å; W105-H337 WeakPolarHBondContact CZ3-CD2 3.38Å; W105-I343 HydrophobicContact CB-CB 4.12Å; W105-I343 HydrophobicContact CB-CD1 4.09Å; W105-I343 HydrophobicContact CB-CG1 4.37Å; W105-I343 HydrophobicContact CB-CG2 4.49Å; W105-I343 HydrophobicContact CD2-CG2 4.17Å; W105-I343 HydrophobicContact CG-CB 4.06Å; W105-I343 HydrophobicContact CG-CG2 3.92Å; W105-D345 PolarHBondContact N-OD1 3.47Å
106A94.1Very high96Very high49 Ų4941.1 Ų41.141%0.40528%0.275SS..G310 helixtrans-65.2-26.9-179.200000113.9S104 H335S104-A106 PolarHBondContact O-N 3.05Å; A106-H335 HydrophobicContact CB-CB 3.76Å
107A94.9Very high96Very high43 Ų4341.2 Ų41.236%0.35526%0.263SS..G310 helixtrans-71.8-34.3179.400000112.4I101 F103 S104 W105I101-A107 VanDerWaalsContact O-CB 3.25Å; I101-A107 WeakPolarHBondContact O-CB 3.42Å; F103-A107 HydrophobicContact CD1-CB 4.17Å; F103-A107 HydrophobicContact CD2-CB 4.21Å; F103-A107 HydrophobicContact CE1-CB 3.83Å; F103-A107 HydrophobicContact CE2-CB 3.86Å; F103-A107 HydrophobicContact CG-CB 4.34Å; F103-A107 HydrophobicContact CZ-CB 3.65Å; S104-A107 PolarHBondContact O-N 2.83Å; S104-A107 VanDerWaalsContact O-N 3.14Å; S104-A107 PolarHBondContact OG-N 3.06Å; W105-A107 VanDerWaalsContact C-N 3.27Å; W105-A107 PolarHBondContact O-N 3.09Å
108S96.8Very high96Very high18 Ų1837.2 Ų37.213%0.12623%0.23CC..  trans-16494.9170.8-171.10000110.1C100 W105 A110 C111 T112C100-S108 PolarHBondContact SG-OG 2.99Å; C100-S108 VanDerWaalsContact SG-OG 3.41Å; W105-S108 CarbonylContact O-C 3.59Å; W105-S108 VanDerWaalsContact O-C 3.24Å; W105-S108 PolarHBondContact O-N 2.96Å; S108-A110 VanDerWaalsContact C-N 3.3Å; S108-A110 PolarHBondContact O-N 2.98Å; S108-C111 VanDerWaalsContact O-CB 3.31Å; S108-C111 WeakPolarHBondContact O-CB 3.43Å; S108-C111 PolarHBondContact O-N 2.92Å; S108-T112 PolarHBondContact O-N 3.4Å
109P96.4Very high96.1Very high51 Ų5133.4 Ų33.433%0.33121%0.211SC..Hα-helixtrans-55.7-44-176.5-30.936.6000112.7W105 C111 T112 E113W105-P109 HydrophobicContact CD2-CB 4.24Å; W105-P109 HydrophobicContact CD2-CG 4.18Å; W105-P109 HydrophobicContact CE3-CG 4.28Å; W105-P109 HydrophobicContact CH2-CB 4.42Å; W105-P109 HydrophobicContact CH2-CG 4.06Å; W105-P109 HydrophobicContact CZ2-CB 3.83Å; W105-P109 HydrophobicContact CZ2-CG 3.96Å; W105-P109 HydrophobicContact CZ3-CG 4.21Å; W105-P109 VanDerWaalsContact O-CA 3.31Å; W105-P109 WeakPolarHBondContact O-CA 3.16Å; W105-P109 WeakPolarHBondContact O-CD 3.47Å; W105-P109 WeakPolarHBondContact O-CG 3.45Å; P109-C111 VanDerWaalsContact C-N 3.27Å; P109-C111 PolarHBondContact O-N 3.12Å; P109-T112 PolarHBondContact O-N 3.25Å; P109-T112 VanDerWaalsContact O-N 3.16Å; P109-E113 WeakPolarHBondContact O-CB 3.36Å; P109-E113 WeakPolarHBondContact O-CG 3.46Å; P109-E113 PolarHBondContact O-N 2.88Å
110A97.6Very high96.3Very high56 Ų5631.4 Ų31.446%0.46319%0.187SC..Hα-helixtrans-60.8-34.4178.800000113.1S108 L114 F357S108-A110 VanDerWaalsContact C-N 3.3Å; S108-A110 PolarHBondContact O-N 2.98Å; A110-L114 WeakPolarHBondContact O-CB 3.34Å; A110-L114 PolarHBondContact O-N 2.88Å; A110-L114 VanDerWaalsContact O-N 3.12Å; A110-F357 HydrophobicContact CB-CE2 4.31Å; A110-F357 HydrophobicContact CB-CZ 4.11Å; A110-F357 WeakPolarHBondContact O-CE1 3.1Å; A110-F357 WeakPolarHBondContact O-CZ 3.41Å
111C97.7Very high96.4Very high0 Ų035.1 Ų35.10%020%0.198CC..Hα-helixtrans-62.8-44.3177-173.30000111.4S108 P109 E115 F357S108-C111 VanDerWaalsContact O-CB 3.31Å; S108-C111 WeakPolarHBondContact O-CB 3.43Å; S108-C111 PolarHBondContact O-N 2.92Å; P109-C111 VanDerWaalsContact C-N 3.27Å; P109-C111 PolarHBondContact O-N 3.12Å; C111-E115 WeakPolarHBondContact O-CB 3.35Å; C111-F357 HydrophobicContact CB-CD1 4.19Å; C111-F357 HydrophobicContact CB-CE1 4.48Å; C111-F357 HydrophobicContact CB-CG 4.26Å
112T96.8Very high96.6Very high3 Ų331.1 Ų31.12%0.01818%0.177CC..Hα-helixtrans-74.3-53.1179.8-66.30000111.6W105 S108 P109 L114 E115 T116 T344 Y346W105-T112 HydrophobicContact CB-CG2 4.45Å; S108-T112 PolarHBondContact O-N 3.4Å; P109-T112 PolarHBondContact O-N 3.25Å; P109-T112 VanDerWaalsContact O-N 3.16Å; T112-L114 PolarHBondContact O-N 3.39Å; T112-E115 PolarHBondContact O-N 3.06Å; T112-E115 VanDerWaalsContact O-N 3.16Å; T112-T116 PolarHBondContact O-N 2.98Å; T112-T116 PolarHBondContact O-OG1 2.98Å; T112-T116 VanDerWaalsContact O-OG1 3.14Å; T112-T344 WeakPolarHBondContact CG2-O 3.43Å; T112-Y346 HydrophobicContact CG2-CD2 3.93Å; T112-Y346 HydrophobicContact CG2-CE2 3.79Å
113E96.6Very high96.7Very high93 Ų9331.1 Ų31.144%0.43518%0.177SC..Hα-helixtrans-61.5-46.4-173.7-65.2-80-175.700111.3W105 P109 E115 T116 V117W105-E113 PolarHBondContact NE1-OE1 2.88Å; P109-E113 WeakPolarHBondContact O-CB 3.36Å; P109-E113 WeakPolarHBondContact O-CG 3.46Å; P109-E113 PolarHBondContact O-N 2.88Å; E113-E115 VanDerWaalsContact C-N 3.3Å; E113-E115 PolarHBondContact O-N 3.16Å; E113-T116 WeakPolarHBondContact O-CB 3.31Å; E113-T116 PolarHBondContact O-N 3.08Å; E113-V117 WeakPolarHBondContact O-CG2 3.48Å; E113-V117 PolarHBondContact O-N 3.24Å
114L98.3Very high97Very high32 Ų3232.5 Ų32.517%0.16818%0.183CC..Hα-helixtrans-65.6-35.3178.7-174.864.4000111.5A110 T112 V117 M118 F357 L360 W363A110-L114 WeakPolarHBondContact O-CB 3.34Å; A110-L114 PolarHBondContact O-N 2.88Å; A110-L114 VanDerWaalsContact O-N 3.12Å; T112-L114 PolarHBondContact O-N 3.39Å; L114-V117 PolarHBondContact O-N 2.92Å; L114-M118 HydrophobicContact CD1-CE 4.17Å; L114-M118 HydrophobicContact CD1-CG 4.23Å; L114-M118 HydrophobicContact CG-CG 4.2Å; L114-M118 WeakPolarHBondContact O-CB 3.4Å; L114-M118 WeakPolarHBondContact O-CG 3.45Å; L114-M118 PolarHBondContact O-N 3.49Å; L114-F357 HydrophobicContact CB-CE1 3.93Å; L114-F357 HydrophobicContact CB-CZ 4.28Å; L114-F357 HydrophobicContact CD2-CE1 3.61Å; L114-F357 HydrophobicContact CD2-CZ 3.82Å; L114-F357 HydrophobicContact CG-CE1 4.3Å; L114-L360 HydrophobicContact CD2-CD1 4.22Å; L114-W363 HydrophobicContact CD1-CB 4.3Å; L114-W363 HydrophobicContact CD1-CD2 4.47Å; L114-W363 HydrophobicContact CD1-CG 3.98Å; L114-W363 HydrophobicContact CD2-CB 4.16Å; L114-W363 HydrophobicContact CD2-CG 4.37Å
115E98.4Very high97.3Very high0 Ų033.4 Ų33.40%019%0.187CC..Hα-helixtrans-62.6-46.9174.9-174.7158.2138.100111.7C111 T112 E113 V117 M118 M119 I144 Y346 R355 S359C111-E115 WeakPolarHBondContact O-CB 3.35Å; T112-E115 PolarHBondContact O-N 3.06Å; T112-E115 VanDerWaalsContact O-N 3.16Å; E113-E115 VanDerWaalsContact C-N 3.3Å; E113-E115 PolarHBondContact O-N 3.16Å; E115-V117 VanDerWaalsContact C-N 3.32Å; E115-V117 PolarHBondContact O-N 3.4Å; E115-M118 PolarHBondContact O-N 3.37Å; E115-M119 HydrophobicContact CG-CG 4.18Å; E115-M119 WeakPolarHBondContact O-CB 3.23Å; E115-M119 VanDerWaalsContact O-CG 3.26Å; E115-M119 WeakPolarHBondContact O-CG 3.36Å; E115-M119 PolarHBondContact O-N 3.1Å; E115-I144 HydrophobicContact CG-CD1 3.79Å; E115-I144 HydrophobicContact CG-CG1 3.85Å; E115-I144 PolarHBondContact OE1-N 3.1Å; E115-Y346 HydrophobicContact CB-CE2 4.07Å; E115-Y346 HydrophobicContact CG-CE2 4.17Å; E115-R355 IonicContact OE1-CZ 3.35Å; E115-R355 IonicContact OE1-NH1 2.87Å; E115-R355 PolarHBondContact OE1-NH1 3.49Å; E115-R355 VanDerWaalsContact OE1-NH1 3.07Å; E115-R355 IonicContact OE1-NH2 3.78Å; E115-R355 PolarHBondContact OE1-NH2 2.93Å; E115-R355 IonicContact OE2-CZ 3.73Å; E115-R355 IonicContact OE2-NH1 3.7Å; E115-R355 PolarHBondContact OE2-NH1 2.88Å; E115-R355 IonicContact OE2-NH2 3.67Å; E115-S359 VanDerWaalsContact CA-CB 3.41Å; E115-S359 PolarHBondContact N-OG 2.94Å
116T96.4Very high97.5Very high20 Ų2031 Ų3112%0.12318%0.178CC..Hα-helixtrans-54.8-48.3175.1-54.60000111.5T112 E113 M118 M119 D120 T134 Y346T112-T116 PolarHBondContact O-N 2.98Å; T112-T116 PolarHBondContact O-OG1 2.98Å; T112-T116 VanDerWaalsContact O-OG1 3.14Å; E113-T116 WeakPolarHBondContact O-CB 3.31Å; E113-T116 PolarHBondContact O-N 3.08Å; T116-M118 PolarHBondContact O-N 3.21Å; T116-M119 PolarHBondContact O-N 3.09Å; T116-D120 PolarHBondContact O-N 3Å; T116-T134 HydrophobicContact CG2-CG2 3.72Å; T116-Y346 WeakPolarHBondContact CA-OH 3.24Å; T116-Y346 PolarHBondContact N-OH 2.88Å; T116-Y346 PolarHBondContact OG1-OH 3.39Å
117V97.3Very high97.6Very high63 Ų6334.7 Ų34.738%0.38219%0.187SC..Hα-helixtrans-64.6-42.3179.31790000111.7E113 L114 E115 D120 W121E113-V117 WeakPolarHBondContact O-CG2 3.48Å; E113-V117 PolarHBondContact O-N 3.24Å; L114-V117 PolarHBondContact O-N 2.92Å; E115-V117 VanDerWaalsContact C-N 3.32Å; E115-V117 PolarHBondContact O-N 3.4Å; V117-D120 PolarHBondContact O-N 3.02Å; V117-W121 WeakPolarHBondContact O-CB 3.44Å; V117-W121 VanDerWaalsContact O-CD1 3.27Å; V117-W121 PolarHBondContact O-N 2.8Å
118M98.5Very high97.8Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-68.1-36.3179.6-70.6-53.591.300112.7L114 E115 T116 W121 L122 M362 W363 F366L114-M118 HydrophobicContact CD1-CE 4.17Å; L114-M118 HydrophobicContact CD1-CG 4.23Å; L114-M118 HydrophobicContact CG-CG 4.2Å; L114-M118 WeakPolarHBondContact O-CB 3.4Å; L114-M118 WeakPolarHBondContact O-CG 3.45Å; L114-M118 PolarHBondContact O-N 3.49Å; E115-M118 PolarHBondContact O-N 3.37Å; T116-M118 PolarHBondContact O-N 3.21Å; M118-W121 HydrophobicContact CE-CD2 3.61Å; M118-W121 HydrophobicContact CE-CE3 3.53Å; M118-W121 HydrophobicContact CE-CG 4.1Å; M118-W121 HydrophobicContact CE-CH2 4.3Å; M118-W121 HydrophobicContact CE-CZ2 4.37Å; M118-W121 HydrophobicContact CE-CZ3 3.89Å; M118-W121 PolarHBondContact O-N 3.36Å; M118-W121 HydrophobicContact SD-CE3 4.1Å; M118-L122 VanDerWaalsContact O-CB 3.31Å; M118-L122 WeakPolarHBondContact O-CB 3.24Å; M118-L122 PolarHBondContact O-N 3.21Å; M118-M362 HydrophobicContact CB-CE 4.3Å; M118-M362 HydrophobicContact CG-CB 4.39Å; M118-W363 HydrophobicContact CE-CG 4.48Å; M118-W363 HydrophobicContact CG-CB 4.22Å; M118-W363 VanDerWaalsContact SD-CA 3.52Å; M118-W363 HydrophobicContact SD-CB 3.66Å; M118-W363 HydrophobicContact SD-CG 4.08Å; M118-F366 HydrophobicContact SD-CD2 4.13Å
119M98.5Very high97.8Very high0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-69-36.6175.2-69.8-55.5-66.400111.8E115 T116 G123 I144 A313 M314 W315E115-M119 HydrophobicContact CG-CG 4.18Å; E115-M119 WeakPolarHBondContact O-CB 3.23Å; E115-M119 VanDerWaalsContact O-CG 3.26Å; E115-M119 WeakPolarHBondContact O-CG 3.36Å; E115-M119 PolarHBondContact O-N 3.1Å; T116-M119 PolarHBondContact O-N 3.09Å; M119-G123 PolarHBondContact O-N 3.14Å; M119-I144 HydrophobicContact CG-CG1 4.32Å; M119-I144 HydrophobicContact SD-CG1 3.69Å; M119-A313 HydrophobicContact CE-CB 3.83Å; M119-A313 HydrophobicContact SD-CB 4.1Å; M119-M314 WeakPolarHBondContact CE-O 3.39Å; M119-W315 HydrophobicContact CE-CD2 3.77Å; M119-W315 VanDerWaalsContact CE-CE2 3.4Å; M119-W315 HydrophobicContact CE-CE3 4.07Å; M119-W315 HydrophobicContact CE-CG 4.4Å; M119-W315 HydrophobicContact CE-CH2 3.76Å; M119-W315 HydrophobicContact CE-CZ2 3.42Å; M119-W315 VanDerWaalsContact CE-CZ2 3.42Å; M119-W315 HydrophobicContact CE-CZ3 4.08Å; M119-W315 WeakPolarHBondContact O-CZ2 3.39Å; M119-W315 PolarHBondContact O-NE1 2.89Å; M119-W315 HydrophobicContact SD-CZ2 4.29Å
120D97.7Very high97.7Very high11 Ų1138.7 Ų38.76%0.05919%0.192CC..Hα-helixtrans-70-41.9172.9-84.818.6000112T116 V117 L122 G123 K124 T134 E135T116-D120 PolarHBondContact O-N 3Å; V117-D120 PolarHBondContact O-N 3.02Å; D120-L122 VanDerWaalsContact C-N 3.34Å; D120-L122 PolarHBondContact O-N 3.06Å; D120-G123 PolarHBondContact O-N 3.35Å; D120-K124 WeakPolarHBondContact O-CB 3.26Å; D120-K124 WeakPolarHBondContact O-CG 3.33Å; D120-K124 PolarHBondContact O-N 2.93Å; D120-T134 WeakPolarHBondContact OD1-CB 3.47Å; D120-T134 PolarHBondContact OD1-N 2.98Å; D120-T134 PolarHBondContact OD1-OG1 2.98Å; D120-T134 PolarHBondContact OD2-N 2.84Å; D120-E135 WeakPolarHBondContact OD2-CB 3.3Å; D120-E135 PolarHBondContact OD2-N 3.03Å
121W98.5Very high97.6Very high104 Ų10437.9 Ų37.939%0.39419%0.186SC..Hα-helixtrans-57.6-48.8173.6-82.122.9000111.3V117 M118 K124 M125 F366 R367V117-W121 WeakPolarHBondContact O-CB 3.44Å; V117-W121 VanDerWaalsContact O-CD1 3.27Å; V117-W121 PolarHBondContact O-N 2.8Å; M118-W121 HydrophobicContact CE-CD2 3.61Å; M118-W121 HydrophobicContact CE-CE3 3.53Å; M118-W121 HydrophobicContact CE-CG 4.1Å; M118-W121 HydrophobicContact CE-CH2 4.3Å; M118-W121 HydrophobicContact CE-CZ2 4.37Å; M118-W121 HydrophobicContact CE-CZ3 3.89Å; M118-W121 PolarHBondContact O-N 3.36Å; M118-W121 HydrophobicContact SD-CE3 4.1Å; W121-K124 PolarHBondContact O-N 2.88Å; W121-M125 VanDerWaalsContact O-CG 3.31Å; W121-M125 WeakPolarHBondContact O-CG 3.49Å; W121-M125 PolarHBondContact O-N 3.33Å; W121-F366 HydrophobicContact CE3-CD2 4.39Å; W121-R367 HydrophobicContact CZ3-CG 4.29Å
122L98.8Very high97.5Very high0 Ų037.9 Ų37.90%019%0.186CC..Hα-helixtrans-67.4-42.3-179-177.954.6000111.6M118 D120 K124 M125 L126 F299 P301 L305 A313 W315 M362 F366M118-L122 VanDerWaalsContact O-CB 3.31Å; M118-L122 WeakPolarHBondContact O-CB 3.24Å; M118-L122 PolarHBondContact O-N 3.21Å; D120-L122 VanDerWaalsContact C-N 3.34Å; D120-L122 PolarHBondContact O-N 3.06Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 3.25Å; L122-M125 HydrophobicContact CD1-CE 4.43Å; L122-M125 HydrophobicContact CD1-SD 4.36Å; L122-M125 WeakPolarHBondContact O-CB 3.35Å; L122-M125 PolarHBondContact O-N 3.27Å; L122-M125 VanDerWaalsContact O-N 3.13Å; L122-L126 HydrophobicContact CD1-CG 4.42Å; L122-L126 HydrophobicContact CG-CD1 4.36Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.37Å; L122-L126 PolarHBondContact O-N 3.45Å; L122-L126 VanDerWaalsContact O-N 3.1Å; L122-F299 HydrophobicContact CD1-CE1 4.18Å; L122-F299 HydrophobicContact CD1-CZ 3.84Å; L122-F299 HydrophobicContact CD2-CE1 3.65Å; L122-F299 HydrophobicContact CD2-CZ 3.66Å; L122-F299 HydrophobicContact CG-CE1 3.97Å; L122-F299 HydrophobicContact CG-CZ 4.06Å; L122-P301 HydrophobicContact CD2-CG 3.99Å; L122-L305 HydrophobicContact CD1-CD2 3.92Å; L122-A313 HydrophobicContact CD2-CB 3.92Å; L122-W315 HydrophobicContact CB-CH2 4.28Å; L122-W315 HydrophobicContact CB-CZ2 4Å; L122-W315 HydrophobicContact CD2-CH2 3.61Å; L122-W315 HydrophobicContact CD2-CZ2 4.11Å; L122-W315 HydrophobicContact CG-CH2 3.69Å; L122-W315 HydrophobicContact CG-CZ2 3.92Å; L122-M362 HydrophobicContact CB-CE 4.29Å; L122-M362 HydrophobicContact CD2-CE 3.54Å; L122-F366 HydrophobicContact CB-CE2 4.1Å; L122-F366 HydrophobicContact CB-CZ 4.25Å; L122-F366 HydrophobicContact CD1-CZ 3.97Å; L122-F366 HydrophobicContact CD2-CZ 4.24Å; L122-F366 HydrophobicContact CG-CZ 4.39Å
123G98.4Very high97.5Very high0 Ų038.2 Ų38.20%019%0.187CC..Hα-helixtrans-58.4-38.7174.200000112.6M119 D120 L126 E127 L128M119-G123 PolarHBondContact O-N 3.14Å; D120-G123 PolarHBondContact O-N 3.35Å; G123-L126 PolarHBondContact O-N 3.02Å; G123-E127 PolarHBondContact O-N 2.85Å; G123-E127 VanDerWaalsContact O-N 3.14Å; G123-L128 PolarHBondContact O-N 2.87Å
124K98.1Very high97.2Very high84 Ų8435.5 Ų35.537%0.36518%0.177SC..Hα-helixtrans-68-39.4173.7-70.8167.2-177.3177.60112.9D120 W121 L122 L126 E127 L133 E135D120-K124 WeakPolarHBondContact O-CB 3.26Å; D120-K124 WeakPolarHBondContact O-CG 3.33Å; D120-K124 PolarHBondContact O-N 2.93Å; W121-K124 PolarHBondContact O-N 2.88Å; L122-K124 VanDerWaalsContact C-N 3.27Å; L122-K124 PolarHBondContact O-N 3.25Å; K124-L126 PolarHBondContact O-N 2.85Å; K124-E127 PolarHBondContact O-N 3.47Å; K124-E127 VanDerWaalsContact O-N 3.09Å; K124-L133 HydrophobicContact CG-CD1 3.9Å; K124-E135 WeakPolarHBondContact CE-OE2 3.44Å; K124-E135 VanDerWaalsContact NZ-CD 3.31Å; K124-E135 IonicContact NZ-OE1 3.36Å; K124-E135 PolarHBondContact NZ-OE1 3.16Å; K124-E135 IonicContact NZ-OE2 3.35Å; K124-E135 PolarHBondContact NZ-OE2 3.31Å
125M98.6Very high96.2Very high22 Ų2239.8 Ų39.811%0.10820%0.197CC..Hα-helixtrans-59.8-37.9176.2-71.8168.157.700111.9W121 L122 E127 I280 R285 F366 V371 L374W121-M125 VanDerWaalsContact O-CG 3.31Å; W121-M125 WeakPolarHBondContact O-CG 3.49Å; W121-M125 PolarHBondContact O-N 3.33Å; L122-M125 HydrophobicContact CD1-CE 4.43Å; L122-M125 HydrophobicContact CD1-SD 4.36Å; L122-M125 WeakPolarHBondContact O-CB 3.35Å; L122-M125 PolarHBondContact O-N 3.27Å; L122-M125 VanDerWaalsContact O-N 3.13Å; M125-E127 VanDerWaalsContact C-N 3.32Å; M125-I280 HydrophobicContact CB-CG2 4.12Å; M125-I280 HydrophobicContact CE-CB 4.39Å; M125-I280 HydrophobicContact CE-CD1 4.31Å; M125-I280 HydrophobicContact CE-CG2 3.99Å; M125-R285 PolarHBondContact O-NH2 3Å; M125-F366 HydrophobicContact SD-CD2 4.5Å; M125-F366 HydrophobicContact SD-CE2 4.44Å; M125-V371 HydrophobicContact CE-CG1 4.42Å; M125-V371 HydrophobicContact CE-CG2 4.03Å; M125-V371 HydrophobicContact CG-CG2 3.98Å; M125-V371 HydrophobicContact SD-CG2 4.03Å; M125-L374 HydrophobicContact CE-CD1 4.02Å
126L98.5Very high94.4Very high1 Ų144 Ų441%0.00522%0.219CC..THydrogen-bonded Turntrans-78.7-13.7177-62.4171.4000113.7L122 G123 K124 L128 G276 F279 I280 F297 F299 W315L122-L126 HydrophobicContact CD1-CG 4.42Å; L122-L126 HydrophobicContact CG-CD1 4.36Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.37Å; L122-L126 PolarHBondContact O-N 3.45Å; L122-L126 VanDerWaalsContact O-N 3.1Å; G123-L126 PolarHBondContact O-N 3.02Å; K124-L126 PolarHBondContact O-N 2.85Å; L126-L128 VanDerWaalsContact C-N 3.28Å; L126-L128 HydrophobicContact CB-CG 3.93Å; L126-L128 HydrophobicContact CD1-CD1 3.93Å; L126-L128 HydrophobicContact CD1-CG 4.06Å; L126-L128 PolarHBondContact O-N 3.4Å; L126-G276 WeakPolarHBondContact CD2-O 3.36Å; L126-F279 HydrophobicContact CD2-CB 3.86Å; L126-I280 HydrophobicContact CD2-CG2 3.8Å; L126-F297 HydrophobicContact CD1-CE1 4.01Å; L126-F299 HydrophobicContact CD1-CD1 4.16Å; L126-F299 HydrophobicContact CD1-CE1 3.69Å; L126-F299 HydrophobicContact CD2-CE1 4.44Å; L126-W315 HydrophobicContact CD1-CH2 4.04Å; L126-W315 HydrophobicContact CD1-CZ3 4.35Å
127E97.7Very high92.6Very high127 Ų12748 Ų4859%0.59325%0.254SS*.THydrogen-bonded Turntrans55.440.6-167-66.9179-169.200113.3G123 K124 M125 R285G123-E127 PolarHBondContact O-N 2.85Å; G123-E127 VanDerWaalsContact O-N 3.14Å; K124-E127 PolarHBondContact O-N 3.47Å; K124-E127 VanDerWaalsContact O-N 3.09Å; M125-E127 VanDerWaalsContact C-N 3.32Å; E127-R285 IonicContact OE1-CZ 2.74Å; E127-R285 VanDerWaalsContact OE1-CZ 3.31Å; E127-R285 IonicContact OE1-NH1 2.75Å; E127-R285 PolarHBondContact OE1-NH1 3.27Å; E127-R285 IonicContact OE1-NH2 2.84Å; E127-R285 PolarHBondContact OE1-NH2 3.07Å; E127-R285 IonicContact OE2-CZ 3.77Å; E127-R285 IonicContact OE2-NH1 3.1Å; E127-R285 PolarHBondContact OE2-NH1 2.99Å
128L97.9Very high91.2Very high9 Ų945.9 Ų45.95%0.04725%0.245CC..  trans-60.3149.5171.8-71.5-179.6000111.1G123 L126 K130 F132 L288 V291 F297 W315G123-L128 PolarHBondContact O-N 2.87Å; L126-L128 VanDerWaalsContact C-N 3.28Å; L126-L128 HydrophobicContact CB-CG 3.93Å; L126-L128 HydrophobicContact CD1-CD1 3.93Å; L126-L128 HydrophobicContact CD1-CG 4.06Å; L126-L128 PolarHBondContact O-N 3.4Å; L128-K130 PolarHBondContact O-N 2.84Å; L128-F132 HydrophobicContact CB-CB 4.5Å; L128-F132 HydrophobicContact CB-CD2 4.31Å; L128-L288 HydrophobicContact CD2-CD2 4.14Å; L128-V291 HydrophobicContact CD2-CG2 4.08Å; L128-F297 HydrophobicContact CD1-CD1 3.92Å; L128-F297 HydrophobicContact CD1-CE1 4.25Å; L128-F297 HydrophobicContact CD2-CD1 4.02Å; L128-F297 HydrophobicContact CD2-CE1 4.16Å; L128-F297 HydrophobicContact CD2-CG 4.26Å; L128-W315 HydrophobicContact CD1-CD2 3.67Å; L128-W315 HydrophobicContact CD1-CE3 3.93Å; L128-W315 HydrophobicContact CD1-CG 4.01Å; L128-W315 HydrophobicContact CD1-CZ2 4.35Å; L128-W315 HydrophobicContact CD1-CZ3 4.36Å
129P96.4Very high90.7Very high30 Ų3051.3 Ų51.320%0.19527%0.27CS..  trans-48.7138.4174.1-28.531.7000112.2A131 F132 V291 E292P129-A131 PolarHBondContact O-N 2.71Å; P129-F132 HydrophobicContact CB-CD2 3.88Å; P129-F132 HydrophobicContact CB-CE2 4.21Å; P129-F132 HydrophobicContact CG-CD2 3.95Å; P129-F132 HydrophobicContact CG-CE2 3.91Å; P129-F132 WeakPolarHBondContact O-CB 3.01Å; P129-F132 PolarHBondContact O-N 2.74Å; P129-V291 HydrophobicContact CG-CG1 3.98Å; P129-E292 HydrophobicContact CG-CB 4.21Å
130K95.3Very high90.5Very high157 Ų15751.3 Ų51.368%0.68327%0.27SS*.G310 helixtrans-53.5-27.1-179.4-68.2-175.3-180-178.70113.6L128 F132 L133L128-K130 PolarHBondContact O-N 2.84Å; K130-F132 PolarHBondContact O-N 2.75Å; K130-L133 PolarHBondContact O-N 3.3Å
131A95.1Very high90.4Very high40 Ų4050.8 Ų50.833%0.33127%0.268SS..G310 helixtrans-63-18.9176.800000113.8P129 G140 K317P129-A131 PolarHBondContact O-N 2.71Å; A131-G140 VanDerWaalsContact O-CA 3.31Å; A131-G140 WeakPolarHBondContact O-CA 3.42Å; A131-G140 PolarHBondContact O-N 3.1Å; A131-K317 HydrophobicContact CB-CG 3.92Å
132F97Very high90.3Very high0 Ų045.8 Ų45.80%025%0.249CC..G310 helixtrans-86.5-11.8173.1-70.1-66.1000113.6L128 P129 K130 G141 V291 A294 W315 V316 K317L128-F132 HydrophobicContact CB-CB 4.5Å; L128-F132 HydrophobicContact CB-CD2 4.31Å; P129-F132 HydrophobicContact CB-CD2 3.88Å; P129-F132 HydrophobicContact CB-CE2 4.21Å; P129-F132 HydrophobicContact CG-CD2 3.95Å; P129-F132 HydrophobicContact CG-CE2 3.91Å; P129-F132 WeakPolarHBondContact O-CB 3.01Å; P129-F132 PolarHBondContact O-N 2.74Å; K130-F132 PolarHBondContact O-N 2.75Å; F132-G141 CarbonylContact O-C 3.56Å; F132-G141 WeakPolarHBondContact O-CA 3.35Å; F132-G141 PolarHBondContact O-N 3.44Å; F132-V291 HydrophobicContact CE2-CG2 4.44Å; F132-A294 HydrophobicContact CZ-CB 4.24Å; F132-A294 WeakPolarHBondContact CZ-O 3.41Å; F132-W315 HydrophobicContact CB-CB 4.01Å; F132-W315 HydrophobicContact CB-CG 4.25Å; F132-W315 HydrophobicContact CD1-CB 3.55Å; F132-W315 HydrophobicContact CE1-CB 4.28Å; F132-W315 HydrophobicContact CG-CB 4.02Å; F132-V316 VanDerWaalsContact CD1-C 3.4Å; F132-K317 HydrophobicContact CD1-CB 4.39Å; F132-K317 HydrophobicContact CE1-CB 3.95Å; F132-K317 VanDerWaalsContact CE1-N 3.35Å; F132-K317 HydrophobicContact CZ-CB 4.37Å
133L95.3Very high90.3Very high9 Ų945.9 Ų45.95%0.04725%0.249CC..  trans-95.9149.5-175.2-53.4-178.5000111.8K124 K130K124-L133 HydrophobicContact CG-CD1 3.9Å; K130-L133 PolarHBondContact O-N 3.3Å
134T90.5Very high90.4Very high36 Ų3645.9 Ų45.922%0.22125%0.249CC..SBendtrans-81.3-34.9-178.1-41.60000112.4T116 D120 N136T116-T134 HydrophobicContact CG2-CG2 3.72Å; D120-T134 WeakPolarHBondContact OD1-CB 3.47Å; D120-T134 PolarHBondContact OD1-N 2.98Å; D120-T134 PolarHBondContact OD1-OG1 2.98Å; D120-T134 PolarHBondContact OD2-N 2.84Å; T134-N136 PolarHBondContact O-N 3.4Å
135E76.8Confident90.4Very high123 Ų12342 Ų4258%0.57523%0.232SC*.THydrogen-bonded Turntrans-59.3-16.7-171.2-167.5-179.4-143.900116.4D120 K124D120-E135 WeakPolarHBondContact OD2-CB 3.3Å; D120-E135 PolarHBondContact OD2-N 3.03Å; K124-E135 WeakPolarHBondContact CE-OE2 3.44Å; K124-E135 VanDerWaalsContact NZ-CD 3.31Å; K124-E135 IonicContact NZ-OE1 3.36Å; K124-E135 PolarHBondContact NZ-OE1 3.16Å; K124-E135 IonicContact NZ-OE2 3.35Å; K124-E135 PolarHBondContact NZ-OE2 3.31Å
136N60.4Low90.4Very high88 Ų8841.1 Ų41.147%0.47123%0.229SC..THydrogen-bonded Turntrans-108.425.9-170.7-67.8-57000115.3T134 G138T134-N136 PolarHBondContact O-N 3.4Å; N136-G138 PolarHBondContact O-N 2.95Å
137A60.5Low90.4Very high104 Ų10442.2 Ų42.286%0.8624%0.237SC*.SBendtrans51.923.4-167.600000112.6
138G66Low90.4Very high19 Ų1936.5 Ų36.520%0.19621%0.212CC..  trans-65150.617700000110.2N136 G140N136-G138 PolarHBondContact O-N 2.95Å; G138-G140 PolarHBondContact O-N 3.48Å
139E88Confident90.5Very high113 Ų11338.3 Ų38.353%0.52823%0.225SC..SBendtrans-72.9-10176.4-63.4-171176.600112.4K317 K318 R319E139-K317 CarbonylContact C-O 3.56Å; E139-K318 HydrophobicContact CB-CG 4.32Å; E139-K318 CarbonylContact O-C 3.56Å; E139-K318 WeakPolarHBondContact O-CA 3.49Å; E139-K318 WeakPolarHBondContact OE2-CD 3.29Å; E139-K318 WeakPolarHBondContact OE2-CE 3.46Å; E139-K318 IonicContact OE2-NZ 3.73Å; E139-K318 PolarHBondContact OE2-NZ 3.49Å; E139-R319 WeakPolarHBondContact O-CB 3.49Å; E139-R319 WeakPolarHBondContact O-CD 3.44Å; E139-R319 WeakPolarHBondContact O-CG 3.41Å; E139-R319 PolarHBondContact O-N 3.45Å
140G94.4Very high90.6Very high0 Ų040.5 Ų40.50%023%0.232CC..  trans-95.1-162.2-176.600000115.3A131 G138 V316 K317A131-G140 VanDerWaalsContact O-CA 3.31Å; A131-G140 WeakPolarHBondContact O-CA 3.42Å; A131-G140 PolarHBondContact O-N 3.1Å; G138-G140 PolarHBondContact O-N 3.48Å; G140-V316 CarbonylContact C-O 3.55Å; G140-V316 WeakPolarHBondContact CA-O 3.28Å; G140-K317 VanDerWaalsContact CA-O 3.26Å; G140-K317 WeakPolarHBondContact CA-O 3.42Å; G140-K317 PolarHBondContact N-O 3.02Å
141G96.1Very high90.7Very high0 Ų033 Ų330%020%0.2CC..EExtended strand (participates in β ladder)trans160.1174.1177.500000112F132 W315 V316F132-G141 CarbonylContact O-C 3.56Å; F132-G141 WeakPolarHBondContact O-CA 3.35Å; F132-G141 PolarHBondContact O-N 3.44Å; G141-W315 WeakPolarHBondContact O-CA 3.49Å; G141-V316 PolarHBondContact N-O 3.33Å; G141-V316 VanDerWaalsContact N-O 3.1Å; G141-V316 PolarHBondContact O-N 3.32Å
142G97.6Very high90.9Very high0 Ų031.1 Ų31.10%018%0.184CC..EExtended strand (participates in β ladder)trans-115.7151.9176.500000113.4M314 Y346G142-M314 CarbonylContact C-O 3.51Å; G142-M314 WeakPolarHBondContact CA-O 3.44Å; G142-Y346 WeakPolarHBondContact O-CE1 3.5Å; G142-Y346 PolarHBondContact O-OH 2.99Å
143V98.5Very high91Very high1 Ų131.9 Ų31.91%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-138.6146.5175.1600000110.3M314 Y346 W349V143-M314 HydrophobicContact CG1-CB 4.24Å; V143-M314 PolarHBondContact N-O 2.85Å; V143-M314 PolarHBondContact O-N 2.68Å; V143-Y346 HydrophobicContact CB-CD1 3.86Å; V143-Y346 HydrophobicContact CB-CE1 3.87Å; V143-Y346 HydrophobicContact CG2-CD1 3.53Å; V143-Y346 HydrophobicContact CG2-CE1 4.01Å; V143-Y346 HydrophobicContact CG2-CG 4.29Å; V143-W349 HydrophobicContact CB-CB 4.32Å; V143-W349 HydrophobicContact CB-CE3 4.09Å; V143-W349 HydrophobicContact CG1-CB 4.27Å; V143-W349 HydrophobicContact CG1-CE3 4.11Å; V143-W349 HydrophobicContact CG2-CB 4.16Å
144I98.8Very high91.2Very high0 Ų031.4 Ų31.40%019%0.186CC..EExtended strand (participates in β ladder)trans-92.8109.5175.5-54.1170.7000110.3E115 M119 S312 R355 R358 M362E115-I144 HydrophobicContact CG-CD1 3.79Å; E115-I144 HydrophobicContact CG-CG1 3.85Å; E115-I144 PolarHBondContact OE1-N 3.1Å; M119-I144 HydrophobicContact CG-CG1 4.32Å; M119-I144 HydrophobicContact SD-CG1 3.69Å; I144-S312 CarbonylContact C-O 3.4Å; I144-S312 VanDerWaalsContact CA-O 3.29Å; I144-S312 WeakPolarHBondContact CA-O 3.43Å; I144-R355 PolarHBondContact O-NH2 3.34Å; I144-R358 HydrophobicContact CB-CB 4.39Å; I144-R358 HydrophobicContact CD1-CB 4.05Å; I144-R358 HydrophobicContact CG2-CB 3.92Å; I144-R358 VanDerWaalsContact CG2-CD 3.45Å; I144-R358 HydrophobicContact CG2-CG 4.34Å; I144-R358 PolarHBondContact O-NH1 3.44Å; I144-R358 VanDerWaalsContact O-NH1 3.14Å; I144-M362 HydrophobicContact CD1-SD 3.43Å; I144-M362 WeakPolarHBondContact CD1-SD 3.47Å; I144-M362 HydrophobicContact CG1-SD 4.06Å
145Q98.6Very high91.6Very high2 Ų229.7 Ų29.71%0.00918%0.175CC..EExtended strand (participates in β ladder)trans-85.5169.6171.6-54.3-63.1-6.700112E150 A151 S312 M314 W349Q145-E150 HydrophobicContact CB-CB 4.45Å; Q145-A151 HydrophobicContact CG-CB 4.12Å; Q145-S312 PolarHBondContact N-O 2.75Å; Q145-S312 PolarHBondContact O-N 3.41Å; Q145-M314 HydrophobicContact CG-CB 4.05Å; Q145-M314 HydrophobicContact CG-SD 4.23Å; Q145-W349 PolarHBondContact NE2-O 3.09Å
146G98.2Very high92.6Very high5 Ų523.9 Ų23.95%0.05215%0.148CC..SBendtrans-74.2-34.9173.500000112.6E150 D310G146-E150 WeakPolarHBondContact CA-OE2 3.22Å; G146-E150 PolarHBondContact N-OE2 3.4Å; G146-D310 WeakPolarHBondContact O-CB 3.32Å
147S98.8Very high94.4Very high24 Ų2420.8 Ų20.817%0.16813%0.131CC..  trans-150.9162.8179.867.20000113.3S149 E150 A151 S312S147-S149 PolarHBondContact O-N 2.97Å; S147-E150 PolarHBondContact N-OE2 3.16Å; S147-E150 WeakPolarHBondContact O-CB 3.37Å; S147-E150 PolarHBondContact O-N 3.31Å; S147-E150 WeakPolarHBondContact OG-CG 3.25Å; S147-E150 PolarHBondContact OG-N 3.22Å; S147-E150 VanDerWaalsContact OG-N 3.13Å; S147-A151 PolarHBondContact O-N 3.11Å; S147-S312 VanDerWaalsContact C-CB 3.42Å; S147-S312 VanDerWaalsContact C-OG 3.3Å; S147-S312 PolarHBondContact O-OG 3.43Å
148A98.7Very high96.3Very high7 Ų715.8 Ų15.86%0.0589%0.09CC..Hα-helixtrans-59.4-36.4169.400000111.3E150 A151 T152 A273 N298 S312A148-E150 VanDerWaalsContact C-N 3.32Å; A148-E150 PolarHBondContact O-N 3.06Å; A148-A151 WeakPolarHBondContact O-CB 3.07Å; A148-A151 PolarHBondContact O-N 3.47Å; A148-A151 VanDerWaalsContact O-N 3.13Å; A148-T152 PolarHBondContact O-N 2.8Å; A148-T152 PolarHBondContact O-OG1 2.97Å; A148-A273 HydrophobicContact CB-CB 3.86Å; A148-N298 WeakPolarHBondContact CB-ND2 3.48Å; A148-S312 PolarHBondContact N-OG 3.47Å
149S98.8Very high97.8Very high46 Ų4615 Ų1532%0.3228%0.082SC..Hα-helixtrans-59.1-43.2175.7-51.70000112.4S147 L153 S194S147-S149 PolarHBondContact O-N 2.97Å; S149-L153 WeakPolarHBondContact O-CB 3.39Å; S149-L153 PolarHBondContact O-N 3.41Å; S149-S194 VanDerWaalsContact OG-CB 3.25Å; S149-S194 WeakPolarHBondContact OG-CB 3.34Å
150E98.6Very high98.3Very high76 Ų7611.9 Ų11.936%0.3557%0.065SC..Hα-helixtrans-65-43.2173.8-73.8169.2-163.600111.3Q145 G146 S147 A148 T152 L153 V154Q145-E150 HydrophobicContact CB-CB 4.45Å; G146-E150 WeakPolarHBondContact CA-OE2 3.22Å; G146-E150 PolarHBondContact N-OE2 3.4Å; S147-E150 PolarHBondContact N-OE2 3.16Å; S147-E150 WeakPolarHBondContact O-CB 3.37Å; S147-E150 PolarHBondContact O-N 3.31Å; S147-E150 WeakPolarHBondContact OG-CG 3.25Å; S147-E150 PolarHBondContact OG-N 3.22Å; S147-E150 VanDerWaalsContact OG-N 3.13Å; A148-E150 VanDerWaalsContact C-N 3.32Å; A148-E150 PolarHBondContact O-N 3.06Å; E150-T152 PolarHBondContact O-N 3.28Å; E150-L153 PolarHBondContact O-N 3.4Å; E150-V154 WeakPolarHBondContact O-CB 3.1Å; E150-V154 VanDerWaalsContact O-CG2 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.35Å; E150-V154 PolarHBondContact O-N 2.74Å
151A98.8Very high98.5Very high0 Ų013 Ų130%07%0.072CC..Hα-helixtrans-60-45.5177.900000112.3Q145 S147 A148 V154 A155 N298 M314Q145-A151 HydrophobicContact CG-CB 4.12Å; S147-A151 PolarHBondContact O-N 3.11Å; A148-A151 WeakPolarHBondContact O-CB 3.07Å; A148-A151 PolarHBondContact O-N 3.47Å; A148-A151 VanDerWaalsContact O-N 3.13Å; A151-V154 PolarHBondContact O-N 3.07Å; A151-A155 WeakPolarHBondContact O-CB 3.37Å; A151-A155 PolarHBondContact O-N 2.95Å; A151-N298 HydrophobicContact CB-CB 3.82Å; A151-M314 HydrophobicContact CB-CB 4.02Å; A151-M314 HydrophobicContact CB-CG 4.09Å; A151-M314 HydrophobicContact CB-SD 3.78Å; A151-M314 WeakPolarHBondContact O-CE 3.41Å
152T98.9Very high98.6Very high0 Ų016.1 Ų16.10%09%0.086CC..Hα-helixtrans-62.8-42.3175.4-57.10000111.9A148 E150 A155 L156 V195 A198 V240 H269A148-T152 PolarHBondContact O-N 2.8Å; A148-T152 PolarHBondContact O-OG1 2.97Å; E150-T152 PolarHBondContact O-N 3.28Å; T152-A155 PolarHBondContact O-N 2.86Å; T152-L156 WeakPolarHBondContact O-CB 3.38Å; T152-L156 PolarHBondContact O-N 3.06Å; T152-V195 HydrophobicContact CG2-CG2 4.27Å; T152-A198 HydrophobicContact CG2-CB 4.14Å; T152-V240 HydrophobicContact CG2-CG2 4.19Å; T152-H269 WeakPolarHBondContact CA-NE2 3.48Å; T152-H269 PolarHBondContact OG1-NE2 3.5Å; T152-H269 VanDerWaalsContact OG1-NE2 3.07Å
153L98.9Very high98.6Very high16 Ų1616.2 Ų16.28%0.0849%0.087CC..Hα-helixtrans-64.2-44.1175.9176.460.1000111.6S149 E150 A155 L156 L157 A198 I201 I351S149-L153 WeakPolarHBondContact O-CB 3.39Å; S149-L153 PolarHBondContact O-N 3.41Å; E150-L153 PolarHBondContact O-N 3.4Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-A155 PolarHBondContact O-N 2.98Å; L153-L156 PolarHBondContact O-N 3.43Å; L153-L157 HydrophobicContact CD1-CD1 3.94Å; L153-L157 HydrophobicContact CD1-CD2 4.34Å; L153-L157 HydrophobicContact CD1-CG 3.87Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 HydrophobicContact CG-CG 4.31Å; L153-L157 WeakPolarHBondContact O-CB 3.5Å; L153-L157 VanDerWaalsContact O-CG 3.25Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.85Å; L153-A198 HydrophobicContact CB-CB 4.2Å; L153-A198 HydrophobicContact CD1-CB 4.29Å; L153-I201 HydrophobicContact CD1-CB 4.12Å; L153-I201 HydrophobicContact CD1-CG2 3.96Å; L153-I201 HydrophobicContact CD2-CB 4.38Å; L153-I201 HydrophobicContact CD2-CD1 4.24Å; L153-I201 HydrophobicContact CD2-CG2 3.82Å; L153-I351 HydrophobicContact CD2-CD1 3.58Å; L153-I351 HydrophobicContact CG-CD1 4.06Å
154V98.8Very high98.5Very high0 Ų016.4 Ų16.40%09%0.088CC..Hα-helixtrans-58.7-45.2176.1166.40000110.6E150 A151 L157 A158 M314 L322 F326 I351E150-V154 WeakPolarHBondContact O-CB 3.1Å; E150-V154 VanDerWaalsContact O-CG2 3.26Å; E150-V154 WeakPolarHBondContact O-CG2 3.35Å; E150-V154 PolarHBondContact O-N 2.74Å; A151-V154 PolarHBondContact O-N 3.07Å; V154-L157 PolarHBondContact O-N 3.05Å; V154-A158 WeakPolarHBondContact O-CB 3.36Å; V154-A158 PolarHBondContact O-N 3.16Å; V154-M314 HydrophobicContact CB-CE 4.34Å; V154-M314 HydrophobicContact CB-SD 4.26Å; V154-M314 HydrophobicContact CG1-CE 3.91Å; V154-M314 HydrophobicContact CG1-SD 3.99Å; V154-L322 HydrophobicContact CG1-CD2 3.67Å; V154-F326 HydrophobicContact CB-CZ 4.49Å; V154-F326 HydrophobicContact CG1-CE2 3.85Å; V154-F326 HydrophobicContact CG1-CZ 4.26Å; V154-F326 HydrophobicContact CG2-CZ 4.4Å; V154-I351 HydrophobicContact CG2-CD1 4.24Å; V154-I351 HydrophobicContact CG2-CG1 3.94Å
155A98.9Very high98.4Very high0 Ų021.4 Ų21.40%011%0.111CC..Hα-helixtrans-61.7-45.8176.100000112.1A151 T152 L153 A158 A159 F238 H269 M314A151-A155 WeakPolarHBondContact O-CB 3.37Å; A151-A155 PolarHBondContact O-N 2.95Å; T152-A155 PolarHBondContact O-N 2.86Å; L153-A155 VanDerWaalsContact C-N 3.32Å; L153-A155 PolarHBondContact O-N 2.98Å; A155-A158 PolarHBondContact O-N 3.18Å; A155-A159 WeakPolarHBondContact O-CB 3.01Å; A155-A159 PolarHBondContact O-N 2.91Å; A155-F238 HydrophobicContact CB-CE2 4.04Å; A155-F238 HydrophobicContact CB-CZ 4.21Å; A155-H269 HydrophobicContact CB-CB 4.23Å; A155-M314 HydrophobicContact CB-CE 3.85Å
156L98.9Very high98.3Very high0 Ų025.2 Ų25.20%013%0.125CC..Hα-helixtrans-62-45.2178.8-178.1153000111.8T152 L153 A158 A159 R160 A198 V204 F238T152-L156 WeakPolarHBondContact O-CB 3.38Å; T152-L156 PolarHBondContact O-N 3.06Å; L153-L156 PolarHBondContact O-N 3.43Å; L156-A158 VanDerWaalsContact C-N 3.35Å; L156-A159 PolarHBondContact O-N 3.3Å; L156-R160 VanDerWaalsContact O-CB 3.25Å; L156-R160 WeakPolarHBondContact O-CB 3.19Å; L156-R160 PolarHBondContact O-N 3.15Å; L156-A198 HydrophobicContact CD1-CB 4.1Å; L156-V204 HydrophobicContact CD1-CG2 3.92Å; L156-V204 HydrophobicContact CD2-CG2 3.99Å; L156-V204 HydrophobicContact CG-CG2 4.33Å; L156-F238 HydrophobicContact CB-CD1 4.47Å; L156-F238 HydrophobicContact CB-CE1 3.99Å; L156-F238 HydrophobicContact CB-CE2 4.32Å; L156-F238 HydrophobicContact CB-CZ 3.93Å; L156-F238 HydrophobicContact CD1-CD1 4.28Å; L156-F238 HydrophobicContact CD1-CE1 4.15Å; L156-F238 HydrophobicContact CG-CD1 4.4Å; L156-F238 HydrophobicContact CG-CE1 4.33Å
157L98.8Very high98.3Very high23 Ų2326.7 Ų26.712%0.1213%0.132CC..Hα-helixtrans-65.2-39.6179-68.4174.9000111.5L153 V154 R160 T161 F326L153-L157 HydrophobicContact CD1-CD1 3.94Å; L153-L157 HydrophobicContact CD1-CD2 4.34Å; L153-L157 HydrophobicContact CD1-CG 3.87Å; L153-L157 HydrophobicContact CG-CD1 3.95Å; L153-L157 HydrophobicContact CG-CG 4.31Å; L153-L157 WeakPolarHBondContact O-CB 3.5Å; L153-L157 VanDerWaalsContact O-CG 3.25Å; L153-L157 WeakPolarHBondContact O-CG 3.46Å; L153-L157 PolarHBondContact O-N 2.85Å; V154-L157 PolarHBondContact O-N 3.05Å; L157-R160 PolarHBondContact O-N 3.07Å; L157-T161 PolarHBondContact O-N 2.92Å; L157-T161 PolarHBondContact O-OG1 3.03Å; L157-T161 VanDerWaalsContact O-OG1 3.09Å; L157-F326 HydrophobicContact CB-CE1 4.32Å; L157-F326 HydrophobicContact CB-CZ 3.79Å; L157-F326 HydrophobicContact CD1-CE1 3.96Å; L157-F326 HydrophobicContact CD1-CZ 4.01Å
158A98.7Very high98.2Very high0 Ų028.3 Ų28.30%014%0.137CC..Hα-helixtrans-64.3-48.2174.500000112V154 A155 L156 R160 T161 K162 W267 L322 A325V154-A158 WeakPolarHBondContact O-CB 3.36Å; V154-A158 PolarHBondContact O-N 3.16Å; A155-A158 PolarHBondContact O-N 3.18Å; L156-A158 VanDerWaalsContact C-N 3.35Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 3.29Å; A158-T161 PolarHBondContact O-N 3.23Å; A158-K162 WeakPolarHBondContact O-CB 3.33Å; A158-K162 PolarHBondContact O-N 3.35Å; A158-W267 HydrophobicContact CB-CH2 4Å; A158-W267 HydrophobicContact CB-CZ3 4.31Å; A158-L322 HydrophobicContact CB-CD2 3.7Å; A158-A325 HydrophobicContact CB-CB 4.29Å
159A98.7Very high98.1Very high3 Ų332.1 Ų32.13%0.02517%0.168CC..Hα-helixtrans-58.2-43.317600000112.2A155 L156 K162 A163 F237 F238 W267A155-A159 WeakPolarHBondContact O-CB 3.01Å; A155-A159 PolarHBondContact O-N 2.91Å; L156-A159 PolarHBondContact O-N 3.3Å; A159-K162 PolarHBondContact O-N 3.3Å; A159-A163 WeakPolarHBondContact O-CB 3.39Å; A159-A163 PolarHBondContact O-N 2.72Å; A159-F237 HydrophobicContact CB-CD2 4.05Å; A159-F237 HydrophobicContact CB-CE2 4.06Å; A159-F238 HydrophobicContact CB-CB 4.45Å; A159-F238 HydrophobicContact CB-CD2 3.56Å; A159-F238 HydrophobicContact CB-CE2 4.22Å; A159-F238 HydrophobicContact CB-CG 4.39Å; A159-W267 HydrophobicContact CB-CB 3.51Å; A159-W267 HydrophobicContact CB-CD2 3.66Å; A159-W267 HydrophobicContact CB-CE3 3.78Å; A159-W267 HydrophobicContact CB-CG 3.55Å
160R98.3Very high98Very high46 Ų4633.7 Ų33.717%0.17418%0.184CC..Hα-helixtrans-61.3-50.1177.6-175-169.167.4-179.32.3111L156 L157 A158 K162 A163 I164 L183 G202 V204 F237L156-R160 VanDerWaalsContact O-CB 3.25Å; L156-R160 WeakPolarHBondContact O-CB 3.19Å; L156-R160 PolarHBondContact O-N 3.15Å; L157-R160 PolarHBondContact O-N 3.07Å; A158-R160 VanDerWaalsContact C-N 3.31Å; A158-R160 PolarHBondContact O-N 3.29Å; R160-K162 PolarHBondContact O-N 3.03Å; R160-A163 PolarHBondContact O-N 3.12Å; R160-I164 HydrophobicContact CG-CD1 3.93Å; R160-I164 WeakPolarHBondContact O-CD1 3.49Å; R160-I164 VanDerWaalsContact O-CG1 3.28Å; R160-I164 WeakPolarHBondContact O-CG1 3.34Å; R160-I164 PolarHBondContact O-N 2.98Å; R160-L183 HydrophobicContact CG-CD1 3.7Å; R160-G202 PolarHBondContact NH1-O 3.18Å; R160-V204 HydrophobicContact CG-CG1 4.3Å; R160-F237 HydrophobicContact CB-CE2 3.86Å; R160-F237 HydrophobicContact CB-CZ 4.42Å
161T98.1Very high97.9Very high24 Ų2432 Ų3215%0.14718%0.18CC..Hα-helixtrans-62.1-43.4178.6-61.90000111.4L157 A158 A163 I164 H165 A325L157-T161 PolarHBondContact O-N 2.92Å; L157-T161 PolarHBondContact O-OG1 3.03Å; L157-T161 VanDerWaalsContact O-OG1 3.09Å; A158-T161 PolarHBondContact O-N 3.23Å; T161-A163 PolarHBondContact O-N 3.36Å; T161-I164 PolarHBondContact O-N 3.15Å; T161-H165 WeakPolarHBondContact CG2-CE1 3.07Å; T161-H165 PolarHBondContact O-N 2.91Å; T161-A325 HydrophobicContact CG2-CB 4.3Å
162K97.6Very high97.6Very high65 Ų6537.1 Ų37.128%0.28321%0.213SC..Hα-helixtrans-58.1-47.1175.3-177.1179-177.7172.90111.8A158 A159 R160 H165 R166 W267 D321A158-K162 WeakPolarHBondContact O-CB 3.33Å; A158-K162 PolarHBondContact O-N 3.35Å; A159-K162 PolarHBondContact O-N 3.3Å; R160-K162 PolarHBondContact O-N 3.03Å; K162-H165 PolarHBondContact O-N 3.46Å; K162-R166 WeakPolarHBondContact O-CB 3.44Å; K162-R166 PolarHBondContact O-N 3Å; K162-W267 HydrophobicContact CD-CE3 4.07Å; K162-W267 HydrophobicContact CD-CZ3 4.07Å; K162-D321 WeakPolarHBondContact CE-OD2 3.27Å; K162-D321 IonicContact NZ-OD1 2.97Å; K162-D321 IonicContact NZ-OD2 2.72Å; K162-D321 PolarHBondContact NZ-OD2 3.1Å
163A97.9Very high97.5Very high3 Ų344 Ų443%0.02525%0.246CC..Hα-helixtrans-63.4-42.417800000112.3A159 R160 T161 R166 L167 L183 F237A159-A163 WeakPolarHBondContact O-CB 3.39Å; A159-A163 PolarHBondContact O-N 2.72Å; R160-A163 PolarHBondContact O-N 3.12Å; T161-A163 PolarHBondContact O-N 3.36Å; A163-R166 PolarHBondContact O-N 3.5Å; A163-L167 WeakPolarHBondContact O-CB 3.16Å; A163-L167 WeakPolarHBondContact O-CD1 3.48Å; A163-L167 VanDerWaalsContact O-CG 3.29Å; A163-L167 WeakPolarHBondContact O-CG 3.37Å; A163-L167 PolarHBondContact O-N 3.02Å; A163-L183 HydrophobicContact CB-CD2 4.3Å; A163-F237 HydrophobicContact CB-CB 4.04Å; A163-F237 HydrophobicContact CB-CD2 4.4Å
164I97.8Very high97.3Very high4 Ų445.9 Ų45.92%0.02126%0.255CS..Hα-helixtrans-59-53.2175.7-70.5159.6000110.4R160 T161 R166 L167 Q168 Q176 I179 M180 L183R160-I164 HydrophobicContact CG-CD1 3.93Å; R160-I164 WeakPolarHBondContact O-CD1 3.49Å; R160-I164 VanDerWaalsContact O-CG1 3.28Å; R160-I164 WeakPolarHBondContact O-CG1 3.34Å; R160-I164 PolarHBondContact O-N 2.98Å; T161-I164 PolarHBondContact O-N 3.15Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 2.9Å; I164-L167 PolarHBondContact O-N 3.03Å; I164-Q168 HydrophobicContact CG2-CG 4.35Å; I164-Q168 WeakPolarHBondContact O-CG 3.49Å; I164-Q168 PolarHBondContact O-N 3.04Å; I164-Q176 HydrophobicContact CD1-CG 3.99Å; I164-Q176 HydrophobicContact CG2-CB 4.39Å; I164-Q176 HydrophobicContact CG2-CG 4.09Å; I164-I179 HydrophobicContact CG1-CG2 3.89Å; I164-I179 HydrophobicContact CG2-CD1 4.43Å; I164-M180 HydrophobicContact CD1-CG 3.86Å; I164-M180 HydrophobicContact CD1-SD 4.3Å; I164-M180 HydrophobicContact CG1-CG 4.48Å; I164-L183 HydrophobicContact CG1-CD1 4.44Å
165H96.7Very high97.2Very high106 Ų10649.8 Ų49.849%0.49128%0.279SS..Hα-helixtrans-60.5-42.2-179.1-67.6169.3000112.3T161 K162 L167 Q168 A169T161-H165 WeakPolarHBondContact CG2-CE1 3.07Å; T161-H165 PolarHBondContact O-N 2.91Å; K162-H165 PolarHBondContact O-N 3.46Å; H165-L167 PolarHBondContact O-N 3.19Å; H165-Q168 PolarHBondContact O-N 3.37Å; H165-A169 WeakPolarHBondContact O-CB 3.27Å; H165-A169 PolarHBondContact O-N 2.93Å
166R96.6Very high97.1Very high82 Ų8254.7 Ų54.731%0.30930%0.302SS..Hα-helixtrans-58.5-47.2176.4-177.3-17669.4-157.73.1111.7K162 A163 I164 A169 A170 D265K162-R166 WeakPolarHBondContact O-CB 3.44Å; K162-R166 PolarHBondContact O-N 3Å; A163-R166 PolarHBondContact O-N 3.5Å; I164-R166 VanDerWaalsContact C-N 3.33Å; I164-R166 PolarHBondContact O-N 2.9Å; R166-A169 PolarHBondContact O-N 2.9Å; R166-A170 PolarHBondContact O-N 2.92Å; R166-D265 VanDerWaalsContact CD-OD2 3.31Å; R166-D265 WeakPolarHBondContact CD-OD2 3.29Å; R166-D265 IonicContact CZ-OD2 3.28Å; R166-D265 IonicContact NE-OD2 3.72Å; R166-D265 PolarHBondContact NH1-O 3.36Å; R166-D265 IonicContact NH1-OD1 3.29Å; R166-D265 IonicContact NH1-OD2 3.3Å; R166-D265 PolarHBondContact NH1-OD2 3.12Å
167L97.1Very high96.9Very high35 Ų3558.1 Ų58.118%0.18333%0.331CS..Hα-helixtrans-70.8-38.5-177.8-70.8167.1000112.4A163 I164 H165 A169 A170 S171 I179 I235A163-L167 WeakPolarHBondContact O-CB 3.16Å; A163-L167 WeakPolarHBondContact O-CD1 3.48Å; A163-L167 VanDerWaalsContact O-CG 3.29Å; A163-L167 WeakPolarHBondContact O-CG 3.37Å; A163-L167 PolarHBondContact O-N 3.02Å; I164-L167 PolarHBondContact O-N 3.03Å; H165-L167 PolarHBondContact O-N 3.19Å; L167-A169 VanDerWaalsContact C-N 3.34Å; L167-A170 PolarHBondContact O-N 2.77Å; L167-S171 PolarHBondContact O-N 2.88Å; L167-I179 HydrophobicContact CB-CD1 3.84Å; L167-I179 HydrophobicContact CB-CG1 4.33Å; L167-I179 HydrophobicContact CD1-CG1 4.41Å; L167-I179 HydrophobicContact CD1-CG2 3.57Å; L167-I235 HydrophobicContact CD1-CD1 3.81Å; L167-I235 HydrophobicContact CD1-CG2 4.19Å
168Q97.3Very high96.8Very high59 Ų5958.6 Ų58.628%0.27634%0.338SS..Hα-helixtrans-68.4-33.8175.1-68.3-175.1-54.100112.4I164 H165 A170 S171 P172 L174 I179I164-Q168 HydrophobicContact CG2-CG 4.35Å; I164-Q168 WeakPolarHBondContact O-CG 3.49Å; I164-Q168 PolarHBondContact O-N 3.04Å; H165-Q168 PolarHBondContact O-N 3.37Å; Q168-A170 VanDerWaalsContact C-N 3.3Å; Q168-A170 PolarHBondContact O-N 3.37Å; Q168-S171 CarbonylContact O-C 3.6Å; Q168-S171 VanDerWaalsContact O-C 3.24Å; Q168-S171 PolarHBondContact O-N 3.33Å; Q168-P172 WeakPolarHBondContact O-CA 3.4Å; Q168-P172 VanDerWaalsContact O-N 3.09Å; Q168-L174 PolarHBondContact NE2-O 3.26Å; Q168-L174 VanDerWaalsContact NE2-O 3.16Å; Q168-I179 HydrophobicContact CG-CD1 3.48Å; Q168-I179 VanDerWaalsContact CG-CD1 3.48Å
169A96.6Very high96.8Very high86 Ų8658.8 Ų58.871%0.71134%0.339SS*.Hα-helixtrans-65.4-35173.500000112.1H165 R166 L167H165-A169 WeakPolarHBondContact O-CB 3.27Å; H165-A169 PolarHBondContact O-N 2.93Å; R166-A169 PolarHBondContact O-N 2.9Å; L167-A169 VanDerWaalsContact C-N 3.34Å
170A96.3Very high96.6Very high80 Ų8060.7 Ų60.766%0.66135%0.348SS*.Hα-helixtrans-79.3-29.817600000113.2R166 L167 Q168R166-A170 PolarHBondContact O-N 2.92Å; L167-A170 PolarHBondContact O-N 2.77Å; Q168-A170 VanDerWaalsContact C-N 3.3Å; Q168-A170 PolarHBondContact O-N 3.37Å
171S95.9Very high96.6Very high39 Ų3965 Ų6527%0.27337%0.37SS..  trans-144.282.8-176-60.50000110.2L167 Q168 E173 L174L167-S171 PolarHBondContact O-N 2.88Å; Q168-S171 CarbonylContact O-C 3.6Å; Q168-S171 VanDerWaalsContact O-C 3.24Å; Q168-S171 PolarHBondContact O-N 3.33Å; S171-E173 WeakPolarHBondContact CA-OE2 3.44Å; S171-E173 WeakPolarHBondContact CB-OE1 3.4Å; S171-E173 PolarHBondContact O-N 3.44Å; S171-E173 VanDerWaalsContact O-N 3.1Å; S171-L174 WeakPolarHBondContact O-CB 3.43Å; S171-L174 PolarHBondContact O-N 3.4Å
172P94Very high96.6Very high108 Ų10868.7 Ų68.770%0.70138%0.384SS*.THydrogen-bonded Turntrans-60.6-19.9-173-26.136000115.5Q168 L174Q168-P172 WeakPolarHBondContact O-CA 3.4Å; Q168-P172 VanDerWaalsContact O-N 3.09Å; P172-L174 VanDerWaalsContact C-N 3.3Å
173E95.5Very high96.6Very high144 Ų14465.6 Ų65.667%0.67337%0.371SS*.THydrogen-bonded Turntrans-74.7-17.6175.973.4-74.2178.400113.5S171 T175S171-E173 WeakPolarHBondContact CA-OE2 3.44Å; S171-E173 WeakPolarHBondContact CB-OE1 3.4Å; S171-E173 PolarHBondContact O-N 3.44Å; S171-E173 VanDerWaalsContact O-N 3.1Å; E173-T175 PolarHBondContact O-N 3.09Å
174L95.1Very high96.7Very high56 Ų5665.4 Ų65.429%0.29337%0.369SS..  trans-72.6116.5178.4-68.5-179.1000110.6Q168 S171 P172 I179Q168-L174 PolarHBondContact NE2-O 3.26Å; Q168-L174 VanDerWaalsContact NE2-O 3.16Å; S171-L174 WeakPolarHBondContact O-CB 3.43Å; S171-L174 PolarHBondContact O-N 3.4Å; P172-L174 VanDerWaalsContact C-N 3.3Å; L174-I179 HydrophobicContact CB-CD1 3.94Å; L174-I179 HydrophobicContact CB-CG1 4.03Å; L174-I179 HydrophobicContact CD1-CG1 4.28Å
175T96.7Very high96.7Very high82 Ų8265.2 Ų65.250%0.50337%0.369SS..  trans-69.6150.5171.470.10000110.4E173 A177 A178 I179E173-T175 PolarHBondContact O-N 3.09Å; T175-A177 PolarHBondContact O-N 3.09Å; T175-A178 PolarHBondContact O-N 2.85Å; T175-A178 VanDerWaalsContact O-N 3.16Å; T175-A178 WeakPolarHBondContact OG1-CB 3.44Å; T175-A178 PolarHBondContact OG1-N 2.84Å; T175-I179 PolarHBondContact O-N 3.07Å; T175-I179 VanDerWaalsContact O-N 3.12Å
176Q95.6Very high96.8Very high103 Ų10360.2 Ų60.248%0.48135%0.345SS..Hα-helixtrans-54.7-40174.6177.2175.7-2700111.9I164 I179 M180I164-Q176 HydrophobicContact CD1-CG 3.99Å; I164-Q176 HydrophobicContact CG2-CB 4.39Å; I164-Q176 HydrophobicContact CG2-CG 4.09Å; Q176-I179 PolarHBondContact O-N 3.19Å; Q176-M180 HydrophobicContact CG-CG 4.32Å; Q176-M180 HydrophobicContact CG-SD 4.15Å; Q176-M180 WeakPolarHBondContact O-CB 3.28Å; Q176-M180 WeakPolarHBondContact O-CG 3.44Å; Q176-M180 PolarHBondContact O-N 3.41Å
177A96Very high96.9Very high72 Ų7256.6 Ų56.660%0.59533%0.333SS*.Hα-helixtrans-61.8-45.6178.600000112T175 I179 M180 E181T175-A177 PolarHBondContact O-N 3.09Å; A177-I179 VanDerWaalsContact C-N 3.3Å; A177-I179 PolarHBondContact O-N 3.32Å; A177-M180 PolarHBondContact O-N 3.05Å; A177-E181 PolarHBondContact O-N 3.42Å
178A96.6Very high97Very high34 Ų3455 Ų5528%0.28133%0.325SS..Hα-helixtrans-64.2-34.6178.400000112.6T175T175-A178 PolarHBondContact O-N 2.85Å; T175-A178 VanDerWaalsContact O-N 3.16Å; T175-A178 WeakPolarHBondContact OG1-CB 3.44Å; T175-A178 PolarHBondContact OG1-N 2.84Å
179I97.4Very high97Very high3 Ų355.7 Ų55.72%0.01533%0.33CS..Hα-helixtrans-68.7-51.6173.7-67163.9000110.1I164 L167 Q168 L174 T175 Q176 A177 E181 K182 L183I164-I179 HydrophobicContact CG1-CG2 3.89Å; I164-I179 HydrophobicContact CG2-CD1 4.43Å; L167-I179 HydrophobicContact CB-CD1 3.84Å; L167-I179 HydrophobicContact CB-CG1 4.33Å; L167-I179 HydrophobicContact CD1-CG1 4.41Å; L167-I179 HydrophobicContact CD1-CG2 3.57Å; Q168-I179 HydrophobicContact CG-CD1 3.48Å; Q168-I179 VanDerWaalsContact CG-CD1 3.48Å; L174-I179 HydrophobicContact CB-CD1 3.94Å; L174-I179 HydrophobicContact CB-CG1 4.03Å; L174-I179 HydrophobicContact CD1-CG1 4.28Å; T175-I179 PolarHBondContact O-N 3.07Å; T175-I179 VanDerWaalsContact O-N 3.12Å; Q176-I179 PolarHBondContact O-N 3.19Å; A177-I179 VanDerWaalsContact C-N 3.3Å; A177-I179 PolarHBondContact O-N 3.32Å; I179-E181 PolarHBondContact O-N 2.97Å; I179-K182 PolarHBondContact O-N 3.19Å; I179-L183 HydrophobicContact CG2-CD1 4.42Å; I179-L183 HydrophobicContact CG2-CD2 4.21Å; I179-L183 HydrophobicContact CG2-CG 4.21Å; I179-L183 PolarHBondContact O-N 2.58Å
180M96.5Very high97.1Very high44 Ų4452.4 Ų52.422%0.21730%0.3CS..Hα-helixtrans-57.7-36.4-178-78-170.560.500112.6I164 Q176 A177 K182 L183I164-M180 HydrophobicContact CD1-CG 3.86Å; I164-M180 HydrophobicContact CD1-SD 4.3Å; I164-M180 HydrophobicContact CG1-CG 4.48Å; Q176-M180 HydrophobicContact CG-CG 4.32Å; Q176-M180 HydrophobicContact CG-SD 4.15Å; Q176-M180 WeakPolarHBondContact O-CB 3.28Å; Q176-M180 WeakPolarHBondContact O-CG 3.44Å; Q176-M180 PolarHBondContact O-N 3.41Å; A177-M180 PolarHBondContact O-N 3.05Å; M180-K182 PolarHBondContact O-N 3.33Å; M180-L183 PolarHBondContact O-N 3.39Å
181E96.9Very high97.2Very high137 Ų13749.7 Ų49.764%0.6428%0.277SS*.Hα-helixtrans-58.4-29.6175-172.1-179.3-17800112.6A177 I179 K205A177-E181 PolarHBondContact O-N 3.42Å; I179-E181 PolarHBondContact O-N 2.97Å; E181-K205 PolarHBondContact O-NZ 2.96Å
182K97.9Very high97.3Very high100 Ų10050.7 Ų50.744%0.43528%0.277SS..Hα-helixtrans-96.5-15.6-177.1-63.9-178.7178.3-176.60114I179 M180 V184 L234 I235I179-K182 PolarHBondContact O-N 3.19Å; M180-K182 PolarHBondContact O-N 3.33Å; K182-V184 PolarHBondContact O-N 2.95Å; K182-L234 CarbonylContact O-C 3.57Å; K182-L234 WeakPolarHBondContact O-CA 3.44Å; K182-I235 HydrophobicContact CB-CB 4.5Å; K182-I235 HydrophobicContact CB-CD1 3.84Å; K182-I235 HydrophobicContact CB-CG1 3.93Å; K182-I235 HydrophobicContact CD-CD1 4.32Å; K182-I235 PolarHBondContact O-N 3.43Å
183L98.5Very high97.5Very high0 Ų048.8 Ų48.80%027%0.267CS..EExtended strand (participates in β ladder)trans-64.4134.8-178-68.8-175.9000112.1R160 A163 I164 I179 M180 V204 I235 F237R160-L183 HydrophobicContact CG-CD1 3.7Å; A163-L183 HydrophobicContact CB-CD2 4.3Å; I164-L183 HydrophobicContact CG1-CD1 4.44Å; I179-L183 HydrophobicContact CG2-CD1 4.42Å; I179-L183 HydrophobicContact CG2-CD2 4.21Å; I179-L183 HydrophobicContact CG2-CG 4.21Å; I179-L183 PolarHBondContact O-N 2.58Å; M180-L183 PolarHBondContact O-N 3.39Å; L183-V204 HydrophobicContact CB-CG1 4.48Å; L183-I235 WeakPolarHBondContact CA-O 3.32Å; L183-I235 HydrophobicContact CD2-CB 4.07Å; L183-I235 HydrophobicContact CD2-CG2 3.89Å; L183-F237 HydrophobicContact CB-CD1 3.73Å; L183-F237 HydrophobicContact CB-CE1 3.77Å; L183-F237 HydrophobicContact CD1-CD1 4.4Å; L183-F237 HydrophobicContact CD1-CE1 4.46Å; L183-F237 HydrophobicContact CD2-CB 4.06Å; L183-F237 HydrophobicContact CD2-CD1 3.96Å; L183-F237 HydrophobicContact CD2-CG 4.04Å; L183-F237 HydrophobicContact CG-CD1 4.23Å
184V98.8Very high97.6Very high0 Ų042.1 Ų42.10%024%0.236CC..EExtended strand (participates in β ladder)trans-13513217557.80000111.4K182 Y186 K205 K207 D229 L234 I235 P236 F237K182-V184 PolarHBondContact O-N 2.95Å; V184-Y186 HydrophobicContact CG1-CE2 4.02Å; V184-Y186 WeakPolarHBondContact CG1-OH 3.45Å; V184-Y186 HydrophobicContact CG2-CE1 4.08Å; V184-Y186 HydrophobicContact CG2-CE2 4.21Å; V184-K205 WeakPolarHBondContact CA-O 3.29Å; V184-K205 HydrophobicContact CB-CB 4.28Å; V184-K205 HydrophobicContact CG2-CB 4.21Å; V184-K207 HydrophobicContact CG2-CD 3.98Å; V184-K207 HydrophobicContact CG2-CG 3.99Å; V184-D229 HydrophobicContact CG1-CB 4.44Å; V184-L234 HydrophobicContact CB-CD1 4.46Å; V184-L234 HydrophobicContact CG1-CB 3.83Å; V184-L234 HydrophobicContact CG1-CD1 4.36Å; V184-I235 PolarHBondContact N-O 2.92Å; V184-P236 HydrophobicContact CG1-CG 4.33Å; V184-P236 WeakPolarHBondContact O-CA 3.41Å; V184-F237 VanDerWaalsContact O-CD1 3.23Å; V184-F237 WeakPolarHBondContact O-CD1 3.38Å; V184-F237 PolarHBondContact O-N 3.4Å; V184-F237 VanDerWaalsContact O-N 3.15Å
185A98.9Very high97.8Very high0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-107158.5176.100000110.8K205 L206 K207 F237 F238A185-K205 PolarHBondContact N-O 3.3Å; A185-L206 HydrophobicContact CB-CD1 3.81Å; A185-L206 CarbonylContact O-C 3.46Å; A185-L206 WeakPolarHBondContact O-CA 3.34Å; A185-K207 PolarHBondContact O-N 3.18Å; A185-F237 HydrophobicContact CB-CE1 3.94Å; A185-F237 HydrophobicContact CB-CZ 4.22Å; A185-F238 CarbonylContact C-O 3.51Å; A185-F238 VanDerWaalsContact CA-O 3.27Å; A185-F238 WeakPolarHBondContact CA-O 3.46Å; A185-F238 HydrophobicContact CB-CB 4.04Å; A185-F238 HydrophobicContact CB-CD1 4.01Å
186Y98.9Very high97.9Very high0 Ų041.6 Ų41.60%023%0.226CC..EExtended strand (participates in β ladder)trans-133.8151.2-177.7-53.3-89.2000112.2V184 K207 I209 L222 A225 L226 D229 P236 F238 V239 V240 M266V184-Y186 HydrophobicContact CG1-CE2 4.02Å; V184-Y186 WeakPolarHBondContact CG1-OH 3.45Å; V184-Y186 HydrophobicContact CG2-CE1 4.08Å; V184-Y186 HydrophobicContact CG2-CE2 4.21Å; Y186-K207 WeakPolarHBondContact CA-O 3.45Å; Y186-K207 HydrophobicContact CD1-CB 3.98Å; Y186-K207 HydrophobicContact CE1-CB 4.18Å; Y186-K207 HydrophobicContact CE1-CD 4.33Å; Y186-I209 HydrophobicContact CD1-CD1 3.68Å; Y186-I209 HydrophobicContact CD1-CG1 4.35Å; Y186-I209 HydrophobicContact CE1-CD1 4.48Å; Y186-I209 HydrophobicContact CG-CD1 4.38Å; Y186-L222 HydrophobicContact CG-CD1 4.24Å; Y186-A225 HydrophobicContact CD1-CB 4.47Å; Y186-A225 HydrophobicContact CE1-CB 4.15Å; Y186-L226 HydrophobicContact CD2-CD2 4.08Å; Y186-L226 HydrophobicContact CE2-CD2 3.52Å; Y186-D229 WeakPolarHBondContact CE1-OD2 3.19Å; Y186-D229 VanDerWaalsContact OH-CB 3.28Å; Y186-D229 WeakPolarHBondContact OH-CB 3.38Å; Y186-D229 PolarHBondContact OH-OD2 2.97Å; Y186-P236 HydrophobicContact CE2-CB 3.82Å; Y186-P236 HydrophobicContact CE2-CG 4.27Å; Y186-F238 PolarHBondContact N-O 3.25Å; Y186-V239 HydrophobicContact CD2-CG2 4.48Å; Y186-V239 CarbonylContact O-C 3.48Å; Y186-V239 WeakPolarHBondContact O-CA 3.26Å; Y186-V240 PolarHBondContact O-N 2.73Å; Y186-M266 HydrophobicContact CD2-CE 3.57Å; Y186-M266 HydrophobicContact CE2-CE 3.74Å
187S98.8Very high98Very high7 Ų744.2 Ų44.25%0.04923%0.232CC..EExtended strand (participates in β ladder)trans-153.1165.216866.10000109.9K207 A208 I209S187-K207 PolarHBondContact N-O 2.82Å; S187-A208 CarbonylContact O-C 3.56Å; S187-A208 WeakPolarHBondContact O-CA 3.33Å; S187-I209 PolarHBondContact O-N 2.93Å
188S98.4Very high98.1Very high2 Ų240.9 Ų40.91%0.01421%0.205CC..EExtended strand (participates in β ladder)trans-54.9149.7166.4-176.70000111.5Q190 A191S188-Q190 PolarHBondContact O-N 2.99Å; S188-Q190 PolarHBondContact OG-N 3.24Å; S188-A191 WeakPolarHBondContact O-CB 3.19Å; S188-A191 PolarHBondContact O-N 3.21Å
189D97.6Very high98.2Very high72 Ų7239.4 Ų39.439%0.38519%0.193SC..THydrogen-bonded Turntrans-64.6-9.8166.667.36.6000113.3A208 I209 P210 S211D189-A208 HydrophobicContact CB-CB 4.09Å; D189-I209 PolarHBondContact N-O 2.9Å; D189-P210 WeakPolarHBondContact OD2-CA 3.34Å; D189-S211 VanDerWaalsContact OD1-CB 3.26Å; D189-S211 WeakPolarHBondContact OD1-CB 3.47Å; D189-S211 PolarHBondContact OD1-N 2.89Å; D189-S211 PolarHBondContact OD1-OG 2.92Å; D189-S211 PolarHBondContact OD2-N 2.62Å
190Q98Very high98.2Very high18 Ų1845.5 Ų45.58%0.08423%0.225CC..THydrogen-bonded Turntrans-98.10.4172.5-54.7-53.4-56.300113.9S188 F215 T245 T247S188-Q190 PolarHBondContact O-N 2.99Å; S188-Q190 PolarHBondContact OG-N 3.24Å; Q190-F215 HydrophobicContact CG-CB 4.03Å; Q190-T245 HydrophobicContact CB-CG2 3.71Å; Q190-T247 PolarHBondContact OE1-OG1 3.33Å
191A98.1Very high98.3Very high22 Ų2248.6 Ų48.618%0.18224%0.241CC..SBendtrans-60.4150.4-179.700000111.1S188 V195S188-A191 WeakPolarHBondContact O-CB 3.19Å; S188-A191 PolarHBondContact O-N 3.21Å; A191-V195 HydrophobicContact CB-CB 4.41Å; A191-V195 HydrophobicContact CB-CG2 4.05Å
192H98.4Very high98.4Very high60 Ų6042.1 Ų42.128%0.27821%0.211SC..  trans-64.5148.9177.4-178.8-103.8000110.8S194 V195 T246H192-S194 WeakPolarHBondContact ND1-CB 3.39Å; H192-S194 PolarHBondContact ND1-N 2.74Å; H192-S194 VanDerWaalsContact ND1-N 3.11Å; H192-S194 PolarHBondContact ND1-OG 2.91Å; H192-S194 PolarHBondContact O-N 2.89Å; H192-V195 PolarHBondContact O-N 2.87Å; H192-T246 PolarHBondContact CD2-OG1 3.2Å; H192-T246 VanDerWaalsContact CD2-OG1 3.28Å
193S97.9Very high98.3Very high68 Ų6839.7 Ų39.748%0.47621%0.214SC..Hα-helixtrans-58.9-14.5-179.860.40000114.2V195 E196 R197S193-V195 VanDerWaalsContact C-N 3.25Å; S193-V195 PolarHBondContact O-N 3.39Å; S193-E196 PolarHBondContact O-N 2.65Å; S193-R197 WeakPolarHBondContact O-CB 3.23Å; S193-R197 PolarHBondContact O-N 3Å
194S98.4Very high98.2Very high4 Ų440.5 Ų40.53%0.02822%0.219CC..Hα-helixtrans-62.4-29.7170.356.90000113.3S149 H192 R197 A198S149-S194 VanDerWaalsContact OG-CB 3.25Å; S149-S194 WeakPolarHBondContact OG-CB 3.34Å; H192-S194 WeakPolarHBondContact ND1-CB 3.39Å; H192-S194 PolarHBondContact ND1-N 2.74Å; H192-S194 VanDerWaalsContact ND1-N 3.11Å; H192-S194 PolarHBondContact ND1-OG 2.91Å; H192-S194 PolarHBondContact O-N 2.89Å; S194-R197 PolarHBondContact O-N 3.15Å; S194-A198 WeakPolarHBondContact O-CB 3.47Å; S194-A198 PolarHBondContact O-N 2.84Å
195V98.7Very high98.2Very high1 Ų145 Ų451%0.00624%0.239CC..Hα-helixtrans-69.7-45178.3-174.20000110.2T152 A191 H192 S193 R197 A198 G199 L206 V240T152-V195 HydrophobicContact CG2-CG2 4.27Å; A191-V195 HydrophobicContact CB-CB 4.41Å; A191-V195 HydrophobicContact CB-CG2 4.05Å; H192-V195 PolarHBondContact O-N 2.87Å; S193-V195 VanDerWaalsContact C-N 3.25Å; S193-V195 PolarHBondContact O-N 3.39Å; V195-R197 VanDerWaalsContact C-N 3.34Å; V195-R197 PolarHBondContact O-N 3.18Å; V195-A198 WeakPolarHBondContact O-CB 3.33Å; V195-A198 PolarHBondContact O-N 3.46Å; V195-G199 PolarHBondContact O-N 3.49Å; V195-L206 HydrophobicContact CG1-CD1 4.06Å; V195-L206 HydrophobicContact CG1-CD2 3.96Å; V195-V240 HydrophobicContact CG1-CB 4.11Å; V195-V240 HydrophobicContact CG1-CG2 3.67Å; V195-V240 HydrophobicContact CG2-CB 4.26Å; V195-V240 HydrophobicContact CG2-CG1 3.94Å; V195-V240 HydrophobicContact CG2-CG2 4.26Å
196E98.4Very high98.2Very high126 Ų12647.4 Ų47.459%0.58925%0.251SS*.Hα-helixtrans-58.7-46.8171.6-172.7-178.9-173.700111.2S193 A198 G199 L200 L206S193-E196 PolarHBondContact O-N 2.65Å; E196-A198 VanDerWaalsContact C-N 3.29Å; E196-A198 PolarHBondContact O-N 3.45Å; E196-G199 PolarHBondContact O-N 2.78Å; E196-G199 VanDerWaalsContact O-N 3.1Å; E196-L200 WeakPolarHBondContact O-CG 3.18Å; E196-L200 PolarHBondContact O-N 3.12Å; E196-L206 VanDerWaalsContact CA-CD2 3.44Å; E196-L206 HydrophobicContact CB-CD2 4.17Å
197R98.6Very high98.1Very high159 Ų15950.8 Ų50.860%0.627%0.266SS*.Hα-helixtrans-60-38.1175.7-170.2170.5-63-169.20.6112.7S193 S194 V195 L200 I201S193-R197 WeakPolarHBondContact O-CB 3.23Å; S193-R197 PolarHBondContact O-N 3Å; S194-R197 PolarHBondContact O-N 3.15Å; V195-R197 VanDerWaalsContact C-N 3.34Å; V195-R197 PolarHBondContact O-N 3.18Å; R197-L200 PolarHBondContact O-N 3.07Å; R197-I201 HydrophobicContact CG-CD1 3.9Å; R197-I201 WeakPolarHBondContact O-CG1 3.36Å; R197-I201 PolarHBondContact O-N 2.73Å
198A98.7Very high98.1Very high2 Ų253.6 Ų53.62%0.01729%0.29CS..Hα-helixtrans-66.5-38.9175.600000111.6T152 L153 L156 S194 V195 E196 G202T152-A198 HydrophobicContact CG2-CB 4.14Å; L153-A198 HydrophobicContact CB-CB 4.2Å; L153-A198 HydrophobicContact CD1-CB 4.29Å; L156-A198 HydrophobicContact CD1-CB 4.1Å; S194-A198 WeakPolarHBondContact O-CB 3.47Å; S194-A198 PolarHBondContact O-N 2.84Å; V195-A198 WeakPolarHBondContact O-CB 3.33Å; V195-A198 PolarHBondContact O-N 3.46Å; E196-A198 VanDerWaalsContact C-N 3.29Å; E196-A198 PolarHBondContact O-N 3.45Å; A198-G202 WeakPolarHBondContact O-CA 3.46Å; A198-G202 PolarHBondContact O-N 3.17Å
199G98.3Very high98.1Very high3 Ų353.6 Ų53.63%0.03129%0.289CS..Hα-helixtrans-60.4-46172.100000112.5V195 E196 G202 G203 V204V195-G199 PolarHBondContact O-N 3.49Å; E196-G199 PolarHBondContact O-N 2.78Å; E196-G199 VanDerWaalsContact O-N 3.1Å; G199-G202 PolarHBondContact O-N 2.71Å; G199-G203 PolarHBondContact O-N 2.72Å; G199-V204 PolarHBondContact O-N 3Å; G199-V204 VanDerWaalsContact O-N 3.12Å
200L98.1Very high98.2Very high131 Ų13154.2 Ų54.269%0.68630%0.298SS*.Hα-helixtrans-60.7-51.8177.2-68.2173.8000112.2E196 R197 G202 G203E196-L200 WeakPolarHBondContact O-CG 3.18Å; E196-L200 PolarHBondContact O-N 3.12Å; R197-L200 PolarHBondContact O-N 3.07Å; L200-G202 VanDerWaalsContact C-N 3.34Å; L200-G203 PolarHBondContact O-N 3.21Å
201I98.6Very high98.2Very high109 Ų10954.1 Ų54.156%0.55930%0.299SS*.Hα-helixtrans-68-37.4179.5-64.3169.1000111L153 R197 G203L153-I201 HydrophobicContact CD1-CB 4.12Å; L153-I201 HydrophobicContact CD1-CG2 3.96Å; L153-I201 HydrophobicContact CD2-CB 4.38Å; L153-I201 HydrophobicContact CD2-CD1 4.24Å; L153-I201 HydrophobicContact CD2-CG2 3.82Å; R197-I201 HydrophobicContact CG-CD1 3.9Å; R197-I201 WeakPolarHBondContact O-CG1 3.36Å; R197-I201 PolarHBondContact O-N 2.73Å; I201-G203 PolarHBondContact O-N 3.34Å
202G97.3Very high98.1Very high1 Ų155 Ų551%0.0130%0.3CS..Hα-helixtrans-71.7-11.8178.400000114.1R160 A198 G199 L200 V204R160-G202 PolarHBondContact NH1-O 3.18Å; A198-G202 WeakPolarHBondContact O-CA 3.46Å; A198-G202 PolarHBondContact O-N 3.17Å; G199-G202 PolarHBondContact O-N 2.71Å; L200-G202 VanDerWaalsContact C-N 3.34Å; G202-V204 VanDerWaalsContact C-N 3.34Å; G202-V204 PolarHBondContact O-N 3.44Å
203G97.1Very high98Very high49 Ų4954.7 Ų54.751%0.50531%0.313SS..THydrogen-bonded Turntrans62.339.2-179.100000112.8G199 L200 I201G199-G203 PolarHBondContact O-N 2.72Å; L200-G203 PolarHBondContact O-N 3.21Å; I201-G203 PolarHBondContact O-N 3.34Å
204V96.2Very high98Very high17 Ų1756.6 Ų56.610%0.10332%0.318CS..  trans-125.1151.9-179.5-63.40000111.2L156 R160 L183 G199 G202 L206 F237L156-V204 HydrophobicContact CD1-CG2 3.92Å; L156-V204 HydrophobicContact CD2-CG2 3.99Å; L156-V204 HydrophobicContact CG-CG2 4.33Å; R160-V204 HydrophobicContact CG-CG1 4.3Å; L183-V204 HydrophobicContact CB-CG1 4.48Å; G199-V204 PolarHBondContact O-N 3Å; G199-V204 VanDerWaalsContact O-N 3.12Å; G202-V204 VanDerWaalsContact C-N 3.34Å; G202-V204 PolarHBondContact O-N 3.44Å; V204-L206 PolarHBondContact O-N 2.78Å; V204-F237 HydrophobicContact CB-CE1 4.23Å; V204-F237 HydrophobicContact CB-CZ 4.21Å; V204-F237 HydrophobicContact CG1-CE1 4.19Å; V204-F237 HydrophobicContact CG1-CZ 3.91Å; V204-F237 HydrophobicContact CG2-CE1 4.48Å; V204-F237 HydrophobicContact CG2-CZ 4.16Å
205K98.2Very high97.9Very high94 Ų9457.3 Ų57.341%0.40932%0.321SS..EExtended strand (participates in β ladder)trans-67.4130.7171.7-63.4175.4174.367.50108.6E181 V184 A185 L234E181-K205 PolarHBondContact O-NZ 2.96Å; V184-K205 WeakPolarHBondContact CA-O 3.29Å; V184-K205 HydrophobicContact CB-CB 4.28Å; V184-K205 HydrophobicContact CG2-CB 4.21Å; A185-K205 PolarHBondContact N-O 3.3Å; K205-L234 HydrophobicContact CD-CD2 4.23Å
206L98.5Very high97.9Very high50 Ų5057.6 Ų57.626%0.26232%0.323SS..EExtended strand (participates in β ladder)trans-116.3135.1171.1-17872.1000109.1A185 V195 E196 V204A185-L206 HydrophobicContact CB-CD1 3.81Å; A185-L206 CarbonylContact O-C 3.46Å; A185-L206 WeakPolarHBondContact O-CA 3.34Å; V195-L206 HydrophobicContact CG1-CD1 4.06Å; V195-L206 HydrophobicContact CG1-CD2 3.96Å; E196-L206 VanDerWaalsContact CA-CD2 3.44Å; E196-L206 HydrophobicContact CB-CD2 4.17Å; V204-L206 PolarHBondContact O-N 2.78Å
207K98.6Very high97.9Very high71 Ų7151.6 Ų51.631%0.30930%0.295SS..EExtended strand (participates in β ladder)trans-123.8131.7175.6-65-172.2-175.6-178.50111.2V184 A185 Y186 S187 D229V184-K207 HydrophobicContact CG2-CD 3.98Å; V184-K207 HydrophobicContact CG2-CG 3.99Å; A185-K207 PolarHBondContact O-N 3.18Å; Y186-K207 WeakPolarHBondContact CA-O 3.45Å; Y186-K207 HydrophobicContact CD1-CB 3.98Å; Y186-K207 HydrophobicContact CE1-CB 4.18Å; Y186-K207 HydrophobicContact CE1-CD 4.33Å; S187-K207 PolarHBondContact N-O 2.82Å; K207-D229 VanDerWaalsContact CD-OD2 3.29Å; K207-D229 WeakPolarHBondContact CD-OD2 3.25Å; K207-D229 WeakPolarHBondContact CE-OD2 3.32Å; K207-D229 IonicContact NZ-OD1 3.56Å; K207-D229 PolarHBondContact NZ-OD1 3.45Å; K207-D229 IonicContact NZ-OD2 2.62Å; K207-D229 PolarHBondContact NZ-OD2 2.92Å
208A98.3Very high97.9Very high67 Ų6747.4 Ų47.455%0.55428%0.28SS*.EExtended strand (participates in β ladder)trans-76.3131.817200000110.4S187 D189S187-A208 CarbonylContact O-C 3.56Å; S187-A208 WeakPolarHBondContact O-CA 3.33Å; D189-A208 HydrophobicContact CB-CB 4.09Å
209I98.7Very high97.9Very high1 Ų148.4 Ų48.41%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-94.7125.3172.2-57.3-57.2000107.8Y186 S187 D189 S211 M217 A221 L222 A225Y186-I209 HydrophobicContact CD1-CD1 3.68Å; Y186-I209 HydrophobicContact CD1-CG1 4.35Å; Y186-I209 HydrophobicContact CE1-CD1 4.48Å; Y186-I209 HydrophobicContact CG-CD1 4.38Å; S187-I209 PolarHBondContact O-N 2.93Å; D189-I209 PolarHBondContact N-O 2.9Å; I209-S211 PolarHBondContact O-N 3.4Å; I209-M217 HydrophobicContact CB-CG 4.16Å; I209-M217 HydrophobicContact CB-SD 3.83Å; I209-M217 HydrophobicContact CG1-SD 3.94Å; I209-M217 HydrophobicContact CG2-CG 3.83Å; I209-M217 HydrophobicContact CG2-SD 4.08Å; I209-A221 HydrophobicContact CG2-CB 3.63Å; I209-L222 HydrophobicContact CD1-CD1 4.18Å; I209-L222 HydrophobicContact CG1-CD1 4.15Å; I209-A225 HydrophobicContact CD1-CB 3.42Å; I209-A225 VanDerWaalsContact CD1-CB 3.42Å
210P98.2Very high97.9Very high86 Ų8652 Ų5256%0.55831%0.312SS*.PPolyproline II helixtrans-56.9133.1176.4-25.234.6000111.8D189D189-P210 WeakPolarHBondContact OD2-CA 3.34Å
211S98.1Very high97.9Very high15 Ų1546.9 Ų46.911%0.10529%0.289CS..PPolyproline II helixtrans-86.7157.1175.7560000112.8D189 I209 F215 A216D189-S211 VanDerWaalsContact OD1-CB 3.26Å; D189-S211 WeakPolarHBondContact OD1-CB 3.47Å; D189-S211 PolarHBondContact OD1-N 2.89Å; D189-S211 PolarHBondContact OD1-OG 2.92Å; D189-S211 PolarHBondContact OD2-N 2.62Å; I209-S211 PolarHBondContact O-N 3.4Å; S211-F215 VanDerWaalsContact CB-C 3.46Å; S211-A216 WeakPolarHBondContact CA-O 3.5Å
212D97.6Very high97.9Very high40 Ų4041.7 Ų41.721%0.21426%0.262CS..  trans-75.1-170.7179.874.12.7000113.5N214 F215 A216 R218 R441D212-N214 PolarHBondContact O-N 3.36Å; D212-N214 WeakPolarHBondContact OD1-CA 3.48Å; D212-N214 WeakPolarHBondContact OD1-CB 3.44Å; D212-N214 PolarHBondContact OD1-N 3.46Å; D212-F215 PolarHBondContact O-N 2.79Å; D212-F215 PolarHBondContact OD1-N 3.06Å; D212-F215 VanDerWaalsContact OD1-N 3.15Å; D212-A216 PolarHBondContact N-O 3.35Å; D212-A216 PolarHBondContact OD1-N 2.63Å; D212-R218 HydrophobicContact CB-CG 3.82Å; D212-R218 WeakPolarHBondContact OD2-CD 3.49Å; D212-R218 IonicContact OD2-NH1 3.54Å; D212-R441 PolarHBondContact O-NH2 2.93Å
213G96.2Very high98Very high54 Ų5444 Ų4456%0.55727%0.273SS*.THydrogen-bonded Turntrans-56.4-2617600000114.8
214N96.6Very high98Very high109 Ų10947.1 Ų47.158%0.58327%0.274SS*.THydrogen-bonded Turntrans-100.413.7179.2-62.5-22.6000111.9D212 A216 S250D212-N214 PolarHBondContact O-N 3.36Å; D212-N214 WeakPolarHBondContact OD1-CA 3.48Å; D212-N214 WeakPolarHBondContact OD1-CB 3.44Å; D212-N214 PolarHBondContact OD1-N 3.46Å; N214-A216 PolarHBondContact O-N 3.18Å; N214-S250 WeakPolarHBondContact O-CB 3.43Å
215F98.1Very high98.2Very high19 Ų1946.7 Ų46.78%0.08327%0.272CS..SBendtrans6230.5179.9-51.8-80.9000112.9Q190 S211 D212 S250 A402 L440 R441Q190-F215 HydrophobicContact CG-CB 4.03Å; S211-F215 VanDerWaalsContact CB-C 3.46Å; D212-F215 PolarHBondContact O-N 2.79Å; D212-F215 PolarHBondContact OD1-N 3.06Å; D212-F215 VanDerWaalsContact OD1-N 3.15Å; F215-S250 WeakPolarHBondContact O-CB 3.5Å; F215-S250 PolarHBondContact O-OG 3.13Å; F215-A402 HydrophobicContact CE2-CB 4.34Å; F215-L440 HydrophobicContact CE1-CB 3.92Å; F215-L440 HydrophobicContact CE1-CD2 4.27Å; F215-L440 HydrophobicContact CE2-CD1 4.19Å; F215-L440 HydrophobicContact CZ-CB 3.78Å; F215-L440 HydrophobicContact CZ-CD1 4.1Å; F215-L440 HydrophobicContact CZ-CD2 4.37Å; F215-L440 HydrophobicContact CZ-CG 4.3Å; F215-R441 HydrophobicContact CE1-CG 4.26Å
216A98.3Very high98.2Very high6 Ų642.2 Ų42.25%0.0525%0.253CS..  trans-107.5136.617700000111.7S211 D212 N214 F251S211-A216 WeakPolarHBondContact CA-O 3.5Å; D212-A216 PolarHBondContact N-O 3.35Å; D212-A216 PolarHBondContact OD1-N 2.63Å; N214-A216 PolarHBondContact O-N 3.18Å; A216-F251 WeakPolarHBondContact CB-O 3.28Å
217M98.7Very high98.2Very high0 Ų045.1 Ų45.10%027%0.265CS..  trans-67.8133.5167.6-178.7172.15600110.3I209 V239 A241 D252 N253 V257I209-M217 HydrophobicContact CB-CG 4.16Å; I209-M217 HydrophobicContact CB-SD 3.83Å; I209-M217 HydrophobicContact CG1-SD 3.94Å; I209-M217 HydrophobicContact CG2-CG 3.83Å; I209-M217 HydrophobicContact CG2-SD 4.08Å; M217-V239 HydrophobicContact CE-CG1 3.88Å; M217-A241 HydrophobicContact CE-CB 4.16Å; M217-D252 HydrophobicContact CB-CB 4.07Å; M217-D252 VanDerWaalsContact CB-OD1 3.22Å; M217-D252 WeakPolarHBondContact CB-OD1 3.49Å; M217-D252 HydrophobicContact CE-CB 4.36Å; M217-D252 PolarHBondContact N-OD1 3.35Å; M217-N253 PolarHBondContact O-N 2.81Å; M217-N253 VanDerWaalsContact O-N 3.15Å; M217-V257 HydrophobicContact CE-CG1 4.11Å; M217-V257 HydrophobicContact CE-CG2 4.14Å; M217-V257 HydrophobicContact CG-CG2 4.26Å
218R98.6Very high98.2Very high72 Ų7249.2 Ų49.227%0.27228%0.279SS..  trans-118.8159.6-177.9-54-54-67.5-140.3-3.3112.1D212 S220 L222 N253 E256D212-R218 HydrophobicContact CB-CG 3.82Å; D212-R218 WeakPolarHBondContact OD2-CD 3.49Å; D212-R218 IonicContact OD2-NH1 3.54Å; R218-S220 VanDerWaalsContact C-N 3.33Å; R218-S220 PolarHBondContact O-N 3.46Å; R218-L222 PolarHBondContact O-N 2.83Å; R218-N253 VanDerWaalsContact CZ-ND2 3.29Å; R218-N253 PolarHBondContact NH2-ND2 2.95Å; R218-E256 IonicContact CZ-OE1 2.87Å; R218-E256 IonicContact CZ-OE2 2.78Å; R218-E256 IonicContact NE-OE1 3.08Å; R218-E256 IonicContact NE-OE2 3.83Å; R218-E256 PolarHBondContact NE-OE2 3.25Å; R218-E256 VanDerWaalsContact NH2-CD 3.29Å; R218-E256 IonicContact NH2-OE1 3.93Å; R218-E256 PolarHBondContact NH2-OE1 3.23Å; R218-E256 IonicContact NH2-OE2 3.95Å; R218-E256 PolarHBondContact NH2-OE2 3.19Å
219A97.9Very high98.2Very high23 Ų2346.2 Ų46.219%0.1925%0.253CS..Hα-helixtrans-55.4-44.6178.900000113.3L222 Q223 E256 I260A219-L222 PolarHBondContact O-N 3.23Å; A219-Q223 VanDerWaalsContact O-CB 3.28Å; A219-Q223 WeakPolarHBondContact O-CB 3.42Å; A219-Q223 PolarHBondContact O-N 3.28Å; A219-E256 HydrophobicContact CB-CB 3.72Å; A219-E256 HydrophobicContact CB-CG 4.26Å; A219-E256 PolarHBondContact N-OE2 3.07Å; A219-I260 HydrophobicContact CB-CD1 3.56Å
220S98Very high98.1Very high78 Ų7851.1 Ų51.155%0.54527%0.272SS..Hα-helixtrans-60.1-51-174.850.80000112.6R218 L222 Q223 E224R218-S220 VanDerWaalsContact C-N 3.33Å; R218-S220 PolarHBondContact O-N 3.46Å; S220-L222 VanDerWaalsContact C-N 3.33Å; S220-L222 PolarHBondContact O-N 3.5Å; S220-Q223 PolarHBondContact O-N 3Å; S220-E224 WeakPolarHBondContact O-CG 3.22Å; S220-E224 PolarHBondContact O-N 3.07Å
221A98.6Very high98.1Very high23 Ų2351.6 Ų51.619%0.1928%0.283CS..Hα-helixtrans-64.6-37-179.500000112.3I209 A225I209-A221 HydrophobicContact CG2-CB 3.63Å; A221-A225 PolarHBondContact O-N 3.47Å
222L98.8Very high98.2Very high0 Ų054.2 Ų54.20%031%0.306CS..Hα-helixtrans-65.1-49.6173.5178.160.7000110.8Y186 I209 R218 A219 S220 E224 A225 L226 V239 V257 I260Y186-L222 HydrophobicContact CG-CD1 4.24Å; I209-L222 HydrophobicContact CD1-CD1 4.18Å; I209-L222 HydrophobicContact CG1-CD1 4.15Å; R218-L222 PolarHBondContact O-N 2.83Å; A219-L222 PolarHBondContact O-N 3.23Å; S220-L222 VanDerWaalsContact C-N 3.33Å; S220-L222 PolarHBondContact O-N 3.5Å; L222-E224 VanDerWaalsContact C-N 3.34Å; L222-E224 PolarHBondContact O-N 2.94Å; L222-A225 WeakPolarHBondContact O-CB 3.19Å; L222-A225 PolarHBondContact O-N 3.13Å; L222-A225 VanDerWaalsContact O-N 3.09Å; L222-L226 HydrophobicContact CD1-CD1 4.32Å; L222-L226 HydrophobicContact CD1-CD2 4.32Å; L222-L226 HydrophobicContact CD1-CG 4.12Å; L222-L226 HydrophobicContact CG-CD1 4.05Å; L222-L226 HydrophobicContact CG-CG 4.27Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 3.23Å; L222-V239 HydrophobicContact CD1-CG2 4.42Å; L222-V239 HydrophobicContact CD2-CG2 4.48Å; L222-V257 HydrophobicContact CD2-CB 4.46Å; L222-V257 HydrophobicContact CD2-CG1 3.78Å; L222-V257 HydrophobicContact CD2-CG2 4.37Å; L222-I260 HydrophobicContact CD2-CD1 4.47Å; L222-I260 HydrophobicContact CD2-CG2 4.24Å
223Q98.4Very high98.2Very high51 Ų5154.4 Ų54.424%0.23832%0.317CS..Hα-helixtrans-56.9-45.6-179.1-172.766.740.600111.9A219 S220 A225 L226 E227A219-Q223 VanDerWaalsContact O-CB 3.28Å; A219-Q223 WeakPolarHBondContact O-CB 3.42Å; A219-Q223 PolarHBondContact O-N 3.28Å; S220-Q223 PolarHBondContact O-N 3Å; Q223-A225 VanDerWaalsContact C-N 3.33Å; Q223-A225 PolarHBondContact O-N 3.48Å; Q223-L226 PolarHBondContact O-N 3.49Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.48Å; Q223-E227 PolarHBondContact NE2-OE1 3.23Å; Q223-E227 WeakPolarHBondContact O-CG 3.26Å; Q223-E227 PolarHBondContact O-N 3.4Å
224E98.4Very high98.3Very high113 Ų11353.3 Ų53.353%0.52830%0.298SS..Hα-helixtrans-60.1-40.8175.9-73.4177.3-165.500112.7S220 L222 R228S220-E224 WeakPolarHBondContact O-CG 3.22Å; S220-E224 PolarHBondContact O-N 3.07Å; L222-E224 VanDerWaalsContact C-N 3.34Å; L222-E224 PolarHBondContact O-N 2.94Å; E224-R228 WeakPolarHBondContact O-CB 3.19Å; E224-R228 PolarHBondContact O-N 3.02Å; E224-R228 VanDerWaalsContact O-N 3.1Å
225A98.7Very high98.4Very high8 Ų849.9 Ų49.97%0.06628%0.279CS..Hα-helixtrans-66.8-41.3177.100000111.8Y186 I209 A221 L222 Q223 D229Y186-A225 HydrophobicContact CD1-CB 4.47Å; Y186-A225 HydrophobicContact CE1-CB 4.15Å; I209-A225 HydrophobicContact CD1-CB 3.42Å; I209-A225 VanDerWaalsContact CD1-CB 3.42Å; A221-A225 PolarHBondContact O-N 3.47Å; L222-A225 WeakPolarHBondContact O-CB 3.19Å; L222-A225 PolarHBondContact O-N 3.13Å; L222-A225 VanDerWaalsContact O-N 3.09Å; Q223-A225 VanDerWaalsContact C-N 3.33Å; Q223-A225 PolarHBondContact O-N 3.48Å; A225-D229 VanDerWaalsContact O-CB 3.32Å; A225-D229 WeakPolarHBondContact O-CB 3.48Å; A225-D229 VanDerWaalsContact O-CG 3.25Å; A225-D229 PolarHBondContact O-N 3.08Å
226L98.6Very high98.4Very high1 Ų149.4 Ų49.41%0.00528%0.278CS..Hα-helixtrans-63-43.9177.1-65.4179000111.8Y186 L222 Q223 D229 R230 P236 I260 E264 M266Y186-L226 HydrophobicContact CD2-CD2 4.08Å; Y186-L226 HydrophobicContact CE2-CD2 3.52Å; L222-L226 HydrophobicContact CD1-CD1 4.32Å; L222-L226 HydrophobicContact CD1-CD2 4.32Å; L222-L226 HydrophobicContact CD1-CG 4.12Å; L222-L226 HydrophobicContact CG-CD1 4.05Å; L222-L226 HydrophobicContact CG-CG 4.27Å; L222-L226 VanDerWaalsContact O-CG 3.29Å; L222-L226 WeakPolarHBondContact O-CG 3.34Å; L222-L226 PolarHBondContact O-N 3.23Å; Q223-L226 PolarHBondContact O-N 3.49Å; L226-D229 PolarHBondContact O-N 3.42Å; L226-R230 WeakPolarHBondContact O-CB 3.44Å; L226-R230 VanDerWaalsContact O-CG 3.28Å; L226-R230 WeakPolarHBondContact O-CG 3.45Å; L226-R230 PolarHBondContact O-N 3.16Å; L226-P236 HydrophobicContact CD2-CB 3.55Å; L226-P236 HydrophobicContact CD2-CG 3.72Å; L226-I260 HydrophobicContact CD1-CG2 3.53Å; L226-E264 HydrophobicContact CD1-CG 4.41Å; L226-M266 HydrophobicContact CD1-SD 4.2Å; L226-M266 HydrophobicContact CD2-CE 3.91Å; L226-M266 HydrophobicContact CD2-SD 3.64Å
227E98.4Very high98.4Very high110 Ų11049.3 Ų49.351%0.51428%0.276SS..Hα-helixtrans-64.2-46178.8-74.5170.5-169.900111.8Q223 D229 R230 A231Q223-E227 WeakPolarHBondContact CG-OE1 3.48Å; Q223-E227 PolarHBondContact NE2-OE1 3.23Å; Q223-E227 WeakPolarHBondContact O-CG 3.26Å; Q223-E227 PolarHBondContact O-N 3.4Å; E227-D229 VanDerWaalsContact C-N 3.31Å; E227-D229 PolarHBondContact O-N 3.38Å; E227-R230 PolarHBondContact O-N 2.59Å; E227-A231 WeakPolarHBondContact O-CB 3.31Å; E227-A231 PolarHBondContact O-N 2.85Å
228R98.4Very high98.4Very high157 Ų15749.3 Ų49.359%0.59228%0.276SS*.Hα-helixtrans-58.6-44175.9-172.8-173.7-58.31214.1111.8E224 A231 A232E224-R228 WeakPolarHBondContact O-CB 3.19Å; E224-R228 PolarHBondContact O-N 3.02Å; E224-R228 VanDerWaalsContact O-N 3.1Å; R228-A231 PolarHBondContact O-N 3.44Å; R228-A232 PolarHBondContact O-N 2.74Å; R228-A232 VanDerWaalsContact O-N 3.07Å
229D98.6Very high98.4Very high4 Ų445.9 Ų45.92%0.02126%0.263CS..Hα-helixtrans-74-35.2-175-76.5-4.8000112.6V184 Y186 K207 A225 L226 E227 A232 G233 L234V184-D229 HydrophobicContact CG1-CB 4.44Å; Y186-D229 WeakPolarHBondContact CE1-OD2 3.19Å; Y186-D229 VanDerWaalsContact OH-CB 3.28Å; Y186-D229 WeakPolarHBondContact OH-CB 3.38Å; Y186-D229 PolarHBondContact OH-OD2 2.97Å; K207-D229 VanDerWaalsContact CD-OD2 3.29Å; K207-D229 WeakPolarHBondContact CD-OD2 3.25Å; K207-D229 WeakPolarHBondContact CE-OD2 3.32Å; K207-D229 IonicContact NZ-OD1 3.56Å; K207-D229 PolarHBondContact NZ-OD1 3.45Å; K207-D229 IonicContact NZ-OD2 2.62Å; K207-D229 PolarHBondContact NZ-OD2 2.92Å; A225-D229 VanDerWaalsContact O-CB 3.32Å; A225-D229 WeakPolarHBondContact O-CB 3.48Å; A225-D229 VanDerWaalsContact O-CG 3.25Å; A225-D229 PolarHBondContact O-N 3.08Å; L226-D229 PolarHBondContact O-N 3.42Å; E227-D229 VanDerWaalsContact C-N 3.31Å; E227-D229 PolarHBondContact O-N 3.38Å; D229-A232 CarbonylContact O-C 3.58Å; D229-A232 PolarHBondContact O-N 3.07Å; D229-G233 PolarHBondContact O-N 2.8Å; D229-L234 HydrophobicContact CB-CB 4.13Å; D229-L234 HydrophobicContact CB-CD1 4.11Å; D229-L234 WeakPolarHBondContact O-CB 3.01Å; D229-L234 PolarHBondContact O-N 3.25Å
230R98Very high98.5Very high105 Ų10544.8 Ų44.840%0.39625%0.254SS..Hα-helixtrans-64.8-42.6170.3-72.8173.9-157.7-121.2-3.1111.9L226 E227 A232 G233 P236 E264L226-R230 WeakPolarHBondContact O-CB 3.44Å; L226-R230 VanDerWaalsContact O-CG 3.28Å; L226-R230 WeakPolarHBondContact O-CG 3.45Å; L226-R230 PolarHBondContact O-N 3.16Å; E227-R230 PolarHBondContact O-N 2.59Å; R230-A232 PolarHBondContact O-N 3.35Å; R230-G233 PolarHBondContact O-N 3.03Å; R230-P236 HydrophobicContact CG-CG 4.27Å; R230-E264 IonicContact CZ-OE2 3.45Å; R230-E264 IonicContact NH1-OE2 2.66Å; R230-E264 PolarHBondContact NH1-OE2 3.36Å; R230-E264 IonicContact NH2-OE2 2.8Å; R230-E264 PolarHBondContact NH2-OE2 3.03Å
231A98.3Very high98.5Very high95 Ų9541 Ų4179%0.78523%0.228SC*.Hα-helixtrans-60.6-29.1174.600000111.9E227 R228 G233E227-A231 WeakPolarHBondContact O-CB 3.31Å; E227-A231 PolarHBondContact O-N 2.85Å; R228-A231 PolarHBondContact O-N 3.44Å; A231-G233 VanDerWaalsContact C-N 3.31Å
232A98.3Very high98.5Very high71 Ų7140.1 Ų40.159%0.58722%0.22SC*.THydrogen-bonded Turntrans-84.13.617300000114.4R228 D229 R230 L234R228-A232 PolarHBondContact O-N 2.74Å; R228-A232 VanDerWaalsContact O-N 3.07Å; D229-A232 CarbonylContact O-C 3.58Å; D229-A232 PolarHBondContact O-N 3.07Å; R230-A232 PolarHBondContact O-N 3.35Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.88Å
233G97.7Very high98.6Very high43 Ų4340.2 Ų40.244%0.44322%0.221SC..THydrogen-bonded Turntrans74.615.118000000115.1D229 R230 A231D229-G233 PolarHBondContact O-N 2.8Å; R230-G233 PolarHBondContact O-N 3.03Å; A231-G233 VanDerWaalsContact C-N 3.31Å
234L98.5Very high98.6Very high31 Ų3138 Ų3816%0.16221%0.212CC..  trans-81.1161.2172.2-58177.4000111K182 V184 K205 D229 A232 P236K182-L234 CarbonylContact O-C 3.57Å; K182-L234 WeakPolarHBondContact O-CA 3.44Å; V184-L234 HydrophobicContact CB-CD1 4.46Å; V184-L234 HydrophobicContact CG1-CB 3.83Å; V184-L234 HydrophobicContact CG1-CD1 4.36Å; K205-L234 HydrophobicContact CD-CD2 4.23Å; D229-L234 HydrophobicContact CB-CB 4.13Å; D229-L234 HydrophobicContact CB-CD1 4.11Å; D229-L234 WeakPolarHBondContact O-CB 3.01Å; D229-L234 PolarHBondContact O-N 3.25Å; A232-L234 VanDerWaalsContact C-N 3.31Å; A232-L234 PolarHBondContact O-N 2.88Å; L234-P236 WeakPolarHBondContact O-CD 3.03Å
235I98.4Very high98.6Very high38 Ų3832.7 Ų32.720%0.19519%0.187CC..EExtended strand (participates in β ladder)trans-118.497.8-176.9-57.9173000108.6L167 K182 L183 V184 F237L167-I235 HydrophobicContact CD1-CD1 3.81Å; L167-I235 HydrophobicContact CD1-CG2 4.19Å; K182-I235 HydrophobicContact CB-CB 4.5Å; K182-I235 HydrophobicContact CB-CD1 3.84Å; K182-I235 HydrophobicContact CB-CG1 3.93Å; K182-I235 HydrophobicContact CD-CD1 4.32Å; K182-I235 PolarHBondContact O-N 3.43Å; L183-I235 WeakPolarHBondContact CA-O 3.32Å; L183-I235 HydrophobicContact CD2-CB 4.07Å; L183-I235 HydrophobicContact CD2-CG2 3.89Å; V184-I235 PolarHBondContact N-O 2.92Å; I235-F237 PolarHBondContact O-N 3.21Å
236P98.7Very high98.5Very high8 Ų834.5 Ų34.55%0.05220%0.198CC..EExtended strand (participates in β ladder)trans-55.9130.5167.4-27.136.9000111.6V184 Y186 L226 R230 L234 M266V184-P236 HydrophobicContact CG1-CG 4.33Å; V184-P236 WeakPolarHBondContact O-CA 3.41Å; Y186-P236 HydrophobicContact CE2-CB 3.82Å; Y186-P236 HydrophobicContact CE2-CG 4.27Å; L226-P236 HydrophobicContact CD2-CB 3.55Å; L226-P236 HydrophobicContact CD2-CG 3.72Å; R230-P236 HydrophobicContact CG-CG 4.27Å; L234-P236 WeakPolarHBondContact O-CD 3.03Å; P236-M266 HydrophobicContact CB-CE 3.61Å; P236-M266 HydrophobicContact CB-CG 4.17Å; P236-M266 HydrophobicContact CB-SD 3.49Å; P236-M266 WeakPolarHBondContact CB-SD 3.4Å
237F98.8Very high98.4Very high4 Ų435.9 Ų35.92%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-141.9-18.7179.982.7-77.1000116A159 R160 A163 L183 V184 A185 V204 I235 W267A159-F237 HydrophobicContact CB-CD2 4.05Å; A159-F237 HydrophobicContact CB-CE2 4.06Å; R160-F237 HydrophobicContact CB-CE2 3.86Å; R160-F237 HydrophobicContact CB-CZ 4.42Å; A163-F237 HydrophobicContact CB-CB 4.04Å; A163-F237 HydrophobicContact CB-CD2 4.4Å; L183-F237 HydrophobicContact CB-CD1 3.73Å; L183-F237 HydrophobicContact CB-CE1 3.77Å; L183-F237 HydrophobicContact CD1-CD1 4.4Å; L183-F237 HydrophobicContact CD1-CE1 4.46Å; L183-F237 HydrophobicContact CD2-CB 4.06Å; L183-F237 HydrophobicContact CD2-CD1 3.96Å; L183-F237 HydrophobicContact CD2-CG 4.04Å; L183-F237 HydrophobicContact CG-CD1 4.23Å; V184-F237 VanDerWaalsContact O-CD1 3.23Å; V184-F237 WeakPolarHBondContact O-CD1 3.38Å; V184-F237 PolarHBondContact O-N 3.4Å; V184-F237 VanDerWaalsContact O-N 3.15Å; A185-F237 HydrophobicContact CB-CE1 3.94Å; A185-F237 HydrophobicContact CB-CZ 4.22Å; V204-F237 HydrophobicContact CB-CE1 4.23Å; V204-F237 HydrophobicContact CB-CZ 4.21Å; V204-F237 HydrophobicContact CG1-CE1 4.19Å; V204-F237 HydrophobicContact CG1-CZ 3.91Å; V204-F237 HydrophobicContact CG2-CE1 4.48Å; V204-F237 HydrophobicContact CG2-CZ 4.16Å; I235-F237 PolarHBondContact O-N 3.21Å; F237-W267 PolarHBondContact O-N 3.33Å
238F98.9Very high98.3Very high0 Ų030.9 Ų30.90%018%0.183CC..EExtended strand (participates in β ladder)trans-147.1135-172.7-176-104.1000111.6A155 L156 A159 A185 Y186 V240 W267 H269A155-F238 HydrophobicContact CB-CE2 4.04Å; A155-F238 HydrophobicContact CB-CZ 4.21Å; L156-F238 HydrophobicContact CB-CD1 4.47Å; L156-F238 HydrophobicContact CB-CE1 3.99Å; L156-F238 HydrophobicContact CB-CE2 4.32Å; L156-F238 HydrophobicContact CB-CZ 3.93Å; L156-F238 HydrophobicContact CD1-CD1 4.28Å; L156-F238 HydrophobicContact CD1-CE1 4.15Å; L156-F238 HydrophobicContact CG-CD1 4.4Å; L156-F238 HydrophobicContact CG-CE1 4.33Å; A159-F238 HydrophobicContact CB-CB 4.45Å; A159-F238 HydrophobicContact CB-CD2 3.56Å; A159-F238 HydrophobicContact CB-CE2 4.22Å; A159-F238 HydrophobicContact CB-CG 4.39Å; A185-F238 CarbonylContact C-O 3.51Å; A185-F238 VanDerWaalsContact CA-O 3.27Å; A185-F238 WeakPolarHBondContact CA-O 3.46Å; A185-F238 HydrophobicContact CB-CB 4.04Å; A185-F238 HydrophobicContact CB-CD1 4.01Å; Y186-F238 PolarHBondContact N-O 3.25Å; F238-V240 HydrophobicContact CD1-CG2 4.06Å; F238-V240 HydrophobicContact CE1-CG2 3.21Å; F238-V240 HydrophobicContact CZ-CG2 3.73Å; F238-W267 CarbonylContact C-O 3.51Å; F238-W267 WeakPolarHBondContact CA-O 3.46Å; F238-W267 HydrophobicContact CD2-CB 3.9Å; F238-W267 AromaticContact CD2-CD1 3.53Å; F238-W267 AromaticContact CD2-CG 3.84Å; F238-W267 HydrophobicContact CD2-CG 3.84Å; F238-W267 AromaticContact CE2-CD1 3.41Å; F238-W267 VanDerWaalsContact CE2-CD1 3.41Å; F238-W267 HydrophobicContact CE2-CG 4.12Å; F238-W267 AromaticContact CE2-NE1 3.88Å; F238-H269 HydrophobicContact CE2-CB 3.68Å; F238-H269 HydrophobicContact CZ-CB 3.58Å
239V98.9Very high98.3Very high0 Ų023.5 Ų23.50%016%0.156CC..EExtended strand (participates in β ladder)trans-126133.4172-176.80000109.2Y186 M217 L222 V257 M266 W267 L268 H269Y186-V239 HydrophobicContact CD2-CG2 4.48Å; Y186-V239 CarbonylContact O-C 3.48Å; Y186-V239 WeakPolarHBondContact O-CA 3.26Å; M217-V239 HydrophobicContact CE-CG1 3.88Å; L222-V239 HydrophobicContact CD1-CG2 4.42Å; L222-V239 HydrophobicContact CD2-CG2 4.48Å; V239-V257 HydrophobicContact CG1-CG1 4.1Å; V239-M266 HydrophobicContact CG2-CE 3.43Å; V239-M266 VanDerWaalsContact CG2-CE 3.43Å; V239-M266 HydrophobicContact CG2-SD 4.38Å; V239-W267 PolarHBondContact N-O 3.16Å; V239-L268 HydrophobicContact CB-CD1 4.22Å; V239-L268 HydrophobicContact CG1-CD1 4.24Å; V239-H269 PolarHBondContact O-N 3.04Å
240V98.9Very high98.3Very high0 Ų023.9 Ų23.90%016%0.158CC..EExtended strand (participates in β ladder)trans-101.5116.5163.4-173.60000109.4T152 Y186 V195 F238 H269 D271T152-V240 HydrophobicContact CG2-CG2 4.19Å; Y186-V240 PolarHBondContact O-N 2.73Å; V195-V240 HydrophobicContact CG1-CB 4.11Å; V195-V240 HydrophobicContact CG1-CG2 3.67Å; V195-V240 HydrophobicContact CG2-CB 4.26Å; V195-V240 HydrophobicContact CG2-CG1 3.94Å; V195-V240 HydrophobicContact CG2-CG2 4.26Å; F238-V240 HydrophobicContact CD1-CG2 4.06Å; F238-V240 HydrophobicContact CE1-CG2 3.21Å; F238-V240 HydrophobicContact CZ-CG2 3.73Å; V240-H269 VanDerWaalsContact CA-O 3.31Å; V240-H269 WeakPolarHBondContact CA-O 3.17Å; V240-H269 HydrophobicContact CG2-CB 4.48Å; V240-D271 HydrophobicContact CG1-CB 4.11Å
241A98.9Very high98.4Very high0 Ų020.3 Ų20.30%015%0.146CC..EExtended strand (participates in β ladder)trans-99.9131.5167.100000109.2M217 D252 L254 L268 H269 V270 D271M217-A241 HydrophobicContact CE-CB 4.16Å; A241-D252 WeakPolarHBondContact CA-OD2 3.44Å; A241-D252 HydrophobicContact CB-CB 4.13Å; A241-L254 HydrophobicContact CB-CD2 3.35Å; A241-L268 HydrophobicContact CB-CD1 3.88Å; A241-H269 PolarHBondContact N-O 3.02Å; A241-V270 CarbonylContact O-C 3.51Å; A241-V270 VanDerWaalsContact O-CA 3.32Å; A241-V270 WeakPolarHBondContact O-CA 3.34Å; A241-D271 PolarHBondContact O-N 3.15Å
242T98.9Very high98.4Very high4 Ų416 Ų163%0.02511%0.109CC..EExtended strand (participates in β ladder)trans-105.5125.8-174.8-50.60000110.3T245 D252 D271T242-T245 HydrophobicContact CG2-CG2 3.8Å; T242-D252 PolarHBondContact N-OD2 2.9Å; T242-D252 PolarHBondContact O-N 3.06Å; T242-D271 CarbonylContact C-O 3.56Å; T242-D271 WeakPolarHBondContact CA-O 3.11Å
243L98.9Very high98.4Very high1 Ų114.3 Ų14.31%0.0059%0.091CC..BIsolated β-bridgetrans-106.7105.9171.2-59-175.7000109F251 L254 V270 D271 A272 A275 F279 L288L243-F251 HydrophobicContact CB-CD1 3.86Å; L243-F251 HydrophobicContact CB-CE1 4.26Å; L243-F251 HydrophobicContact CD2-CB 4.3Å; L243-F251 HydrophobicContact CD2-CD1 4.1Å; L243-L254 HydrophobicContact CD1-CD1 3.88Å; L243-L254 HydrophobicContact CD2-CD1 4.07Å; L243-L254 HydrophobicContact CD2-CG 4.11Å; L243-L254 HydrophobicContact CG-CD1 4.29Å; L243-V270 HydrophobicContact CD1-CG1 3.73Å; L243-V270 HydrophobicContact CG-CG1 3.82Å; L243-D271 PolarHBondContact N-O 2.59Å; L243-A272 HydrophobicContact CB-CB 4.02Å; L243-A272 WeakPolarHBondContact O-CA 3.34Å; L243-A275 WeakPolarHBondContact O-CB 3.49Å; L243-F279 HydrophobicContact CB-CZ 4.27Å; L243-F279 HydrophobicContact CD1-CE2 3.96Å; L243-F279 HydrophobicContact CD1-CZ 4.06Å; L243-L288 HydrophobicContact CD1-CD1 3.64Å
244G98.6Very high98.5Very high6 Ų612.4 Ų12.46%0.0627%0.071CC..SBendtrans84.368.6-171.800000112S250G244-S250 CarbonylContact C-O 3.55Å; G244-S250 VanDerWaalsContact CA-O 3.24Å; G244-S250 WeakPolarHBondContact CA-O 3.37Å; G244-S250 PolarHBondContact N-O 2.9Å
245T98.7Very high98.5Very high0 Ų015.2 Ų15.20%09%0.085CC..  trans-56.1153.917759.30000112.5Q190 T242 T247 C249 S250Q190-T245 HydrophobicContact CB-CG2 3.71Å; T242-T245 HydrophobicContact CG2-CG2 3.8Å; T245-T247 PolarHBondContact O-N 2.82Å; T245-C249 WeakPolarHBondContact O-CA 3.26Å; T245-C249 PolarHBondContact O-N 3.4Å; T245-C249 PolarHBondContact OG1-N 3.43Å; T245-S250 VanDerWaalsContact CG2-OG 3.23Å; T245-S250 WeakPolarHBondContact CG2-OG 3.46Å; T245-S250 PolarHBondContact N-O 2.74Å; T245-S250 PolarHBondContact OG1-N 2.65Å; T245-S250 PolarHBondContact OG1-OG 3.15Å
246T97.1Very high98.5Very high47 Ų4716.6 Ų16.629%0.2889%0.091SC..THydrogen-bonded Turntrans-68.3-37.2-175.9-59.70000112.3H192 R447H192-T246 PolarHBondContact CD2-OG1 3.2Å; H192-T246 VanDerWaalsContact CD2-OG1 3.28Å; T246-R447 VanDerWaalsContact O-CZ 3.3Å; T246-R447 PolarHBondContact O-NE 3.44Å; T246-R447 VanDerWaalsContact O-NE 3.07Å; T246-R447 PolarHBondContact O-NH2 3.28Å
247T95.9Very high98.5Very high30 Ų3016.2 Ų16.218%0.1849%0.088CC..THydrogen-bonded Turntrans-65.6-59.5-175.1480000111Q190 T245 C410 C438 R447Q190-T247 PolarHBondContact OE1-OG1 3.33Å; T245-T247 PolarHBondContact O-N 2.82Å; T247-C410 PolarHBondContact O-SG 2.84Å; T247-C438 HydrophobicContact CG2-CB 4.29Å; T247-C438 PolarHBondContact O-SG 3.48Å; T247-C438 VanDerWaalsContact O-SG 3.4Å; T247-R447 WeakPolarHBondContact O-CD 3.41Å; T247-R447 PolarHBondContact O-NE 2.92Å
248C97.8Very high98.5Very high4 Ų416 Ų163%0.0279%0.087CC..THydrogen-bonded Turntrans-133.813.6-174.160.60000115.7S250 A402 L440C248-S250 VanDerWaalsContact C-N 3.26Å; C248-S250 PolarHBondContact O-N 3.14Å; C248-A402 HydrophobicContact CB-CB 3.6Å; C248-L440 HydrophobicContact CB-CD1 4.04Å; C248-L440 HydrophobicContact CB-CD2 3.79Å
249C98.6Very high98.5Very high3 Ų318.6 Ų18.62%0.0210%0.104CC..  trans57.736.9-177.9-165.20000113.2F80 T245 F251 L408F80-C249 HydrophobicContact CZ-CB 4.39Å; T245-C249 WeakPolarHBondContact O-CA 3.26Å; T245-C249 PolarHBondContact O-N 3.4Å; T245-C249 PolarHBondContact OG1-N 3.43Å; C249-F251 WeakPolarHBondContact O-CD2 3.48Å; C249-F251 WeakPolarHBondContact O-CE2 3.4Å; C249-L408 HydrophobicContact CB-CB 4.18Å; C249-L408 HydrophobicContact CB-CD2 3.83Å
250S98.5Very high98.4Very high11 Ų1119.5 Ų19.58%0.07711%0.109CC..  trans-75.7167171.162.40000111.9N214 F215 G244 T245 C248N214-S250 WeakPolarHBondContact O-CB 3.43Å; F215-S250 WeakPolarHBondContact O-CB 3.5Å; F215-S250 PolarHBondContact O-OG 3.13Å; G244-S250 CarbonylContact C-O 3.55Å; G244-S250 VanDerWaalsContact CA-O 3.24Å; G244-S250 WeakPolarHBondContact CA-O 3.37Å; G244-S250 PolarHBondContact N-O 2.9Å; T245-S250 VanDerWaalsContact CG2-OG 3.23Å; T245-S250 WeakPolarHBondContact CG2-OG 3.46Å; T245-S250 PolarHBondContact N-O 2.74Å; T245-S250 PolarHBondContact OG1-N 2.65Å; T245-S250 PolarHBondContact OG1-OG 3.15Å; C248-S250 VanDerWaalsContact C-N 3.26Å; C248-S250 PolarHBondContact O-N 3.14Å
251F98.8Very high98.4Very high30 Ų3019.5 Ų19.513%0.13211%0.109CC..BIsolated β-bridgetrans-129.7118-174-62.6-96.8000110.3A216 L243 C249 A275 F279 L287 T405 L406A216-F251 WeakPolarHBondContact CB-O 3.28Å; L243-F251 HydrophobicContact CB-CD1 3.86Å; L243-F251 HydrophobicContact CB-CE1 4.26Å; L243-F251 HydrophobicContact CD2-CB 4.3Å; L243-F251 HydrophobicContact CD2-CD1 4.1Å; C249-F251 WeakPolarHBondContact O-CD2 3.48Å; C249-F251 WeakPolarHBondContact O-CE2 3.4Å; F251-A275 HydrophobicContact CE1-CB 3.71Å; F251-A275 HydrophobicContact CZ-CB 4.03Å; F251-F279 HydrophobicContact CE1-CZ 4.36Å; F251-L287 HydrophobicContact CD1-CB 4.02Å; F251-L287 HydrophobicContact CD1-CD2 4.32Å; F251-L287 HydrophobicContact CD2-CD2 4.16Å; F251-L287 HydrophobicContact CE1-CB 4Å; F251-L287 HydrophobicContact CE1-CD1 3.88Å; F251-L287 HydrophobicContact CE1-CD2 4.43Å; F251-L287 HydrophobicContact CE1-CG 4.33Å; F251-L287 HydrophobicContact CE2-CD1 4.23Å; F251-L287 HydrophobicContact CE2-CD2 4.28Å; F251-L287 HydrophobicContact CG-CD2 4.2Å; F251-L287 HydrophobicContact CZ-CD1 3.72Å; F251-L287 HydrophobicContact CZ-CD2 4.43Å; F251-L287 HydrophobicContact CZ-CG 4.49Å; F251-T405 HydrophobicContact CE2-CG2 3.73Å; F251-T405 HydrophobicContact CZ-CG2 4.24Å; F251-L406 HydrophobicContact CZ-CD1 3.82Å; F251-L406 HydrophobicContact CZ-CG 4.39Å
252D98.9Very high98.4Very high4 Ų423.3 Ų23.32%0.02113%0.129CC..  trans-64143.4172.1-68.8-25.4000110.6M217 A241 T242 L254M217-D252 HydrophobicContact CB-CB 4.07Å; M217-D252 VanDerWaalsContact CB-OD1 3.22Å; M217-D252 WeakPolarHBondContact CB-OD1 3.49Å; M217-D252 HydrophobicContact CE-CB 4.36Å; M217-D252 PolarHBondContact N-OD1 3.35Å; A241-D252 WeakPolarHBondContact CA-OD2 3.44Å; A241-D252 HydrophobicContact CB-CB 4.13Å; T242-D252 PolarHBondContact N-OD2 2.9Å; T242-D252 PolarHBondContact O-N 3.06Å; D252-L254 PolarHBondContact O-N 3.44Å; D252-L254 VanDerWaalsContact O-N 3.08Å
253N98.6Very high98.3Very high37 Ų3730.9 Ų30.920%0.19816%0.162CC..  trans-82.593.6-174.5-171.6-20.7000111.7M217 R218 L255 E256 V257M217-N253 PolarHBondContact O-N 2.81Å; M217-N253 VanDerWaalsContact O-N 3.15Å; R218-N253 VanDerWaalsContact CZ-ND2 3.29Å; R218-N253 PolarHBondContact NH2-ND2 2.95Å; N253-L255 VanDerWaalsContact C-N 3.33Å; N253-L255 PolarHBondContact O-N 3.31Å; N253-L255 PolarHBondContact OD1-N 3.32Å; N253-L255 VanDerWaalsContact OD1-N 3.15Å; N253-E256 HydrophobicContact CB-CB 4.17Å; N253-E256 HydrophobicContact CB-CG 4.47Å; N253-E256 VanDerWaalsContact ND2-CD 3.32Å; N253-E256 PolarHBondContact ND2-OE1 3.45Å; N253-E256 PolarHBondContact O-N 3.43Å; N253-E256 PolarHBondContact OD1-N 3.2Å; N253-V257 WeakPolarHBondContact O-CB 3.41Å; N253-V257 WeakPolarHBondContact O-CG2 3.34Å; N253-V257 PolarHBondContact O-N 3.38Å
254L98.7Very high98.2Very high3 Ų332.8 Ų32.82%0.01617%0.171CC..Hα-helixtrans-64.7-31.6179.9-64.3-178.2000114A241 L243 D252 E256 G258 L268 V270 N289A241-L254 HydrophobicContact CB-CD2 3.35Å; L243-L254 HydrophobicContact CD1-CD1 3.88Å; L243-L254 HydrophobicContact CD2-CD1 4.07Å; L243-L254 HydrophobicContact CD2-CG 4.11Å; L243-L254 HydrophobicContact CG-CD1 4.29Å; D252-L254 PolarHBondContact O-N 3.44Å; D252-L254 VanDerWaalsContact O-N 3.08Å; L254-E256 PolarHBondContact O-N 2.9Å; L254-G258 WeakPolarHBondContact O-CA 3.42Å; L254-G258 PolarHBondContact O-N 3.46Å; L254-L268 HydrophobicContact CD2-CD2 4.43Å; L254-V270 HydrophobicContact CD1-CG1 4.3Å; L254-V270 HydrophobicContact CD1-CG2 4.03Å; L254-V270 HydrophobicContact CD2-CG2 3.84Å; L254-N289 WeakPolarHBondContact CB-O 3.4Å
255L98.6Very high98Very high90 Ų9036.7 Ų36.747%0.47119%0.19SC..Hα-helixtrans-65.8-24.6176.6-69.2174.5000112.1N253 P259 N289 F293N253-L255 VanDerWaalsContact C-N 3.33Å; N253-L255 PolarHBondContact O-N 3.31Å; N253-L255 PolarHBondContact OD1-N 3.32Å; N253-L255 VanDerWaalsContact OD1-N 3.15Å; L255-P259 VanDerWaalsContact O-CD 3.24Å; L255-P259 WeakPolarHBondContact O-CD 3.36Å; L255-P259 VanDerWaalsContact O-CG 3.3Å; L255-P259 WeakPolarHBondContact O-CG 3.44Å; L255-N289 HydrophobicContact CD1-CB 4.07Å; L255-N289 HydrophobicContact CD2-CB 4.34Å; L255-N289 HydrophobicContact CG-CB 4.2Å; L255-F293 HydrophobicContact CD2-CE2 4.49Å
256E98.4Very high98Very high66 Ų6636.9 Ų36.931%0.30819%0.191SC..Hα-helixtrans-91.6-47.3175-79.5-175.1-169.800112.7R218 A219 N253 L254R218-E256 IonicContact CZ-OE1 2.87Å; R218-E256 IonicContact CZ-OE2 2.78Å; R218-E256 IonicContact NE-OE1 3.08Å; R218-E256 IonicContact NE-OE2 3.83Å; R218-E256 PolarHBondContact NE-OE2 3.25Å; R218-E256 VanDerWaalsContact NH2-CD 3.29Å; R218-E256 IonicContact NH2-OE1 3.93Å; R218-E256 PolarHBondContact NH2-OE1 3.23Å; R218-E256 IonicContact NH2-OE2 3.95Å; R218-E256 PolarHBondContact NH2-OE2 3.19Å; A219-E256 HydrophobicContact CB-CB 3.72Å; A219-E256 HydrophobicContact CB-CG 4.26Å; A219-E256 PolarHBondContact N-OE2 3.07Å; N253-E256 HydrophobicContact CB-CB 4.17Å; N253-E256 HydrophobicContact CB-CG 4.47Å; N253-E256 VanDerWaalsContact ND2-CD 3.32Å; N253-E256 PolarHBondContact ND2-OE1 3.45Å; N253-E256 PolarHBondContact O-N 3.43Å; N253-E256 PolarHBondContact OD1-N 3.2Å; L254-E256 PolarHBondContact O-N 2.9Å
257V98.6Very high98.1Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-75.3-37.1-174.8169.60000112M217 L222 V239 N253 I260 C261 L268M217-V257 HydrophobicContact CE-CG1 4.11Å; M217-V257 HydrophobicContact CE-CG2 4.14Å; M217-V257 HydrophobicContact CG-CG2 4.26Å; L222-V257 HydrophobicContact CD2-CB 4.46Å; L222-V257 HydrophobicContact CD2-CG1 3.78Å; L222-V257 HydrophobicContact CD2-CG2 4.37Å; V239-V257 HydrophobicContact CG1-CG1 4.1Å; N253-V257 WeakPolarHBondContact O-CB 3.41Å; N253-V257 WeakPolarHBondContact O-CG2 3.34Å; N253-V257 PolarHBondContact O-N 3.38Å; V257-I260 WeakPolarHBondContact O-CB 3.32Å; V257-I260 PolarHBondContact O-N 3Å; V257-C261 PolarHBondContact O-N 3.02Å; V257-C261 VanDerWaalsContact O-N 3.1Å; V257-C261 PolarHBondContact O-SG 3Å; V257-L268 HydrophobicContact CG1-CD1 4.36Å
258G98.6Very high98.3Very high0 Ų033.7 Ų33.70%017%0.17CC..Hα-helixtrans-58.7-52-177.300000114.4L254 I260 C261 N262 F293L254-G258 WeakPolarHBondContact O-CA 3.42Å; L254-G258 PolarHBondContact O-N 3.46Å; G258-I260 PolarHBondContact O-N 3.41Å; G258-C261 PolarHBondContact O-N 3.1Å; G258-C261 VanDerWaalsContact O-N 3.13Å; G258-N262 PolarHBondContact O-N 3Å; G258-F293 VanDerWaalsContact CA-CB 3.47Å
259P98.7Very high98.3Very high54 Ų5433.5 Ų33.535%0.35117%0.169SC..Hα-helixtrans-57.2-35.7176.4-28.236000113.9L255 K263 F293L255-P259 VanDerWaalsContact O-CD 3.24Å; L255-P259 WeakPolarHBondContact O-CD 3.36Å; L255-P259 VanDerWaalsContact O-CG 3.3Å; L255-P259 WeakPolarHBondContact O-CG 3.44Å; P259-K263 VanDerWaalsContact O-CB 3.26Å; P259-K263 WeakPolarHBondContact O-CB 3.28Å; P259-K263 PolarHBondContact O-N 2.65Å; P259-F293 HydrophobicContact CG-CD2 4.47Å; P259-F293 HydrophobicContact CG-CE1 4.02Å; P259-F293 HydrophobicContact CG-CE2 3.98Å; P259-F293 HydrophobicContact CG-CZ 3.74Å
260I98.6Very high98.3Very high19 Ų1933.4 Ų33.410%0.09717%0.168CC..Hα-helixtrans-64.5-50.1175.4-62.4173.1000109.7A219 L222 L226 V257 G258 N262 K263 E264A219-I260 HydrophobicContact CB-CD1 3.56Å; L222-I260 HydrophobicContact CD2-CD1 4.47Å; L222-I260 HydrophobicContact CD2-CG2 4.24Å; L226-I260 HydrophobicContact CD1-CG2 3.53Å; V257-I260 WeakPolarHBondContact O-CB 3.32Å; V257-I260 PolarHBondContact O-N 3Å; G258-I260 PolarHBondContact O-N 3.41Å; I260-N262 VanDerWaalsContact C-N 3.33Å; I260-N262 PolarHBondContact O-N 2.8Å; I260-K263 PolarHBondContact O-N 3.41Å; I260-E264 HydrophobicContact CG2-CG 4.16Å; I260-E264 WeakPolarHBondContact O-CB 3.15Å; I260-E264 VanDerWaalsContact O-CG 3.28Å; I260-E264 WeakPolarHBondContact O-CG 3.47Å; I260-E264 PolarHBondContact O-N 2.94Å
261C98.7Very high98.4Very high0 Ų033.1 Ų33.10%017%0.166CC..Hα-helixtrans-57.7-46.3-179.3-61.80000111.7V257 G258 E264 D265 M266 L268V257-C261 PolarHBondContact O-N 3.02Å; V257-C261 VanDerWaalsContact O-N 3.1Å; V257-C261 PolarHBondContact O-SG 3Å; G258-C261 PolarHBondContact O-N 3.1Å; G258-C261 VanDerWaalsContact O-N 3.13Å; C261-E264 CarbonylContact O-C 3.42Å; C261-E264 PolarHBondContact O-N 3.09Å; C261-D265 PolarHBondContact O-N 3.33Å; C261-M266 HydrophobicContact CB-CB 4.41Å; C261-M266 PolarHBondContact O-N 3.37Å; C261-L268 HydrophobicContact CB-CB 3.96Å
262N97.8Very high98.4Very high80 Ų8031.7 Ų31.743%0.42816%0.16SC..Hα-helixtrans-63.8-45177.3-83.213.8000112.8G258 I260 E264 D265 F293G258-N262 PolarHBondContact O-N 3Å; I260-N262 VanDerWaalsContact C-N 3.33Å; I260-N262 PolarHBondContact O-N 2.8Å; N262-E264 VanDerWaalsContact C-N 3.25Å; N262-E264 PolarHBondContact O-N 3.27Å; N262-D265 PolarHBondContact O-N 3.22Å; N262-F293 PolarHBondContact OD1-O 2.89Å
263K97.8Very high98.4Very high164 Ų16431.9 Ų31.971%0.71316%0.162SC*.Hα-helixtrans-62.1-37.1179.2-179.7-173.8172-164.60111.6P259 I260P259-K263 VanDerWaalsContact O-CB 3.26Å; P259-K263 WeakPolarHBondContact O-CB 3.28Å; P259-K263 PolarHBondContact O-N 2.65Å; I260-K263 PolarHBondContact O-N 3.41Å
264E95.8Very high98.4Very high41 Ų4130.2 Ų30.219%0.19215%0.153CC..THydrogen-bonded Turntrans-92.15.4-176.4-61.4-56.8160.800113.7L226 R230 I260 C261 N262 M266L226-E264 HydrophobicContact CD1-CG 4.41Å; R230-E264 IonicContact CZ-OE2 3.45Å; R230-E264 IonicContact NH1-OE2 2.66Å; R230-E264 PolarHBondContact NH1-OE2 3.36Å; R230-E264 IonicContact NH2-OE2 2.8Å; R230-E264 PolarHBondContact NH2-OE2 3.03Å; I260-E264 HydrophobicContact CG2-CG 4.16Å; I260-E264 WeakPolarHBondContact O-CB 3.15Å; I260-E264 VanDerWaalsContact O-CG 3.28Å; I260-E264 WeakPolarHBondContact O-CG 3.47Å; I260-E264 PolarHBondContact O-N 2.94Å; C261-E264 CarbonylContact O-C 3.42Å; C261-E264 PolarHBondContact O-N 3.09Å; N262-E264 VanDerWaalsContact C-N 3.25Å; N262-E264 PolarHBondContact O-N 3.27Å; E264-M266 HydrophobicContact CB-CG 4.06Å; E264-M266 HydrophobicContact CB-SD 4.18Å; E264-M266 PolarHBondContact O-N 3.42Å
265D95.9Very high98.4Very high87 Ų8730 Ų3047%0.46515%0.152SC..THydrogen-bonded Turntrans49.843.6-177.4-161.920000112.2R166 C261 N262R166-D265 VanDerWaalsContact CD-OD2 3.31Å; R166-D265 WeakPolarHBondContact CD-OD2 3.29Å; R166-D265 IonicContact CZ-OD2 3.28Å; R166-D265 IonicContact NE-OD2 3.72Å; R166-D265 PolarHBondContact NH1-O 3.36Å; R166-D265 IonicContact NH1-OD1 3.29Å; R166-D265 IonicContact NH1-OD2 3.3Å; R166-D265 PolarHBondContact NH1-OD2 3.12Å; C261-D265 PolarHBondContact O-N 3.33Å; N262-D265 PolarHBondContact O-N 3.22Å
266M98.4Very high98.4Very high5 Ų525.8 Ų25.83%0.02513%0.129CC..  trans-102141.1174.2-66.9179.169.900110.2Y186 L226 P236 V239 C261 E264 L268Y186-M266 HydrophobicContact CD2-CE 3.57Å; Y186-M266 HydrophobicContact CE2-CE 3.74Å; L226-M266 HydrophobicContact CD1-SD 4.2Å; L226-M266 HydrophobicContact CD2-CE 3.91Å; L226-M266 HydrophobicContact CD2-SD 3.64Å; P236-M266 HydrophobicContact CB-CE 3.61Å; P236-M266 HydrophobicContact CB-CG 4.17Å; P236-M266 HydrophobicContact CB-SD 3.49Å; P236-M266 WeakPolarHBondContact CB-SD 3.4Å; V239-M266 HydrophobicContact CG2-CE 3.43Å; V239-M266 VanDerWaalsContact CG2-CE 3.43Å; V239-M266 HydrophobicContact CG2-SD 4.38Å; C261-M266 HydrophobicContact CB-CB 4.41Å; C261-M266 PolarHBondContact O-N 3.37Å; E264-M266 HydrophobicContact CB-CG 4.06Å; E264-M266 HydrophobicContact CB-SD 4.18Å; E264-M266 PolarHBondContact O-N 3.42Å; M266-L268 PolarHBondContact O-N 3.22Å
267W98.9Very high98.4Very high10 Ų1022.6 Ų22.64%0.03812%0.115CC..EExtended strand (participates in β ladder)trans-71124.6175.5-176.2-65.1000110.8A158 A159 K162 F237 F238 V239 D295 S296 D321A158-W267 HydrophobicContact CB-CH2 4Å; A158-W267 HydrophobicContact CB-CZ3 4.31Å; A159-W267 HydrophobicContact CB-CB 3.51Å; A159-W267 HydrophobicContact CB-CD2 3.66Å; A159-W267 HydrophobicContact CB-CE3 3.78Å; A159-W267 HydrophobicContact CB-CG 3.55Å; K162-W267 HydrophobicContact CD-CE3 4.07Å; K162-W267 HydrophobicContact CD-CZ3 4.07Å; F237-W267 PolarHBondContact O-N 3.33Å; F238-W267 CarbonylContact C-O 3.51Å; F238-W267 WeakPolarHBondContact CA-O 3.46Å; F238-W267 HydrophobicContact CD2-CB 3.9Å; F238-W267 AromaticContact CD2-CD1 3.53Å; F238-W267 AromaticContact CD2-CG 3.84Å; F238-W267 HydrophobicContact CD2-CG 3.84Å; F238-W267 AromaticContact CE2-CD1 3.41Å; F238-W267 VanDerWaalsContact CE2-CD1 3.41Å; F238-W267 HydrophobicContact CE2-CG 4.12Å; F238-W267 AromaticContact CE2-NE1 3.88Å; V239-W267 PolarHBondContact N-O 3.16Å; W267-D295 VanDerWaalsContact CA-OD2 3.27Å; W267-D295 WeakPolarHBondContact CA-OD2 3.44Å; W267-D295 HydrophobicContact CD2-CB 3.62Å; W267-D295 HydrophobicContact CE3-CB 4.18Å; W267-D295 HydrophobicContact CG-CB 3.89Å; W267-D295 HydrophobicContact CH2-CB 4.49Å; W267-D295 HydrophobicContact CZ2-CB 3.99Å; W267-S296 PolarHBondContact NE1-OG 3.25Å; W267-D321 HydrophobicContact CH2-CB 3.78Å; W267-D321 HydrophobicContact CZ3-CB 3.62Å; W267-D321 WeakPolarHBondContact CZ3-OD2 3.39Å
268L98.9Very high98.4Very high0 Ų022.6 Ų22.60%012%0.115CC..EExtended strand (participates in β ladder)trans-100114.1171.6177.459.7000110.9V239 A241 L254 V257 C261 M266 V270 F293 A294 D295 S296V239-L268 HydrophobicContact CB-CD1 4.22Å; V239-L268 HydrophobicContact CG1-CD1 4.24Å; A241-L268 HydrophobicContact CB-CD1 3.88Å; L254-L268 HydrophobicContact CD2-CD2 4.43Å; V257-L268 HydrophobicContact CG1-CD1 4.36Å; C261-L268 HydrophobicContact CB-CB 3.96Å; M266-L268 PolarHBondContact O-N 3.22Å; L268-V270 HydrophobicContact CG-CG2 4.41Å; L268-F293 HydrophobicContact CD2-CB 4.15Å; L268-A294 HydrophobicContact CD2-CB 4.44Å; L268-A294 HydrophobicContact CG-CB 4.35Å; L268-D295 PolarHBondContact N-OD2 2.91Å; L268-D295 PolarHBondContact O-N 2.97Å; L268-S296 PolarHBondContact O-N 3.43Å
269H98.9Very high98.4Very high0 Ų022.6 Ų22.60%012%0.115CC..EExtended strand (participates in β ladder)trans-101.9127.5170179.164.1000110.2T152 A155 F238 V239 V240 A241 S296 N298T152-H269 WeakPolarHBondContact CA-NE2 3.48Å; T152-H269 PolarHBondContact OG1-NE2 3.5Å; T152-H269 VanDerWaalsContact OG1-NE2 3.07Å; A155-H269 HydrophobicContact CB-CB 4.23Å; F238-H269 HydrophobicContact CE2-CB 3.68Å; F238-H269 HydrophobicContact CZ-CB 3.58Å; V239-H269 PolarHBondContact O-N 3.04Å; V240-H269 VanDerWaalsContact CA-O 3.31Å; V240-H269 WeakPolarHBondContact CA-O 3.17Å; V240-H269 HydrophobicContact CG2-CB 4.48Å; A241-H269 PolarHBondContact N-O 3.02Å; H269-S296 WeakPolarHBondContact CA-O 3.48Å; H269-S296 WeakPolarHBondContact CA-OG 3.23Å; H269-S296 WeakPolarHBondContact CB-OG 3.22Å; H269-S296 PolarHBondContact ND1-OG 3.04Å; H269-N298 PolarHBondContact CE1-OD1 3.23Å; H269-N298 PolarHBondContact NE2-OD1 3.07Å
270V98.9Very high98.4Very high0 Ų020 Ų200%010%0.098CC..EExtended strand (participates in β ladder)trans-102.4113.1175.6179.10000109.5A241 L243 L254 L268 A294 S296 F297 N298A241-V270 CarbonylContact O-C 3.51Å; A241-V270 VanDerWaalsContact O-CA 3.32Å; A241-V270 WeakPolarHBondContact O-CA 3.34Å; L243-V270 HydrophobicContact CD1-CG1 3.73Å; L243-V270 HydrophobicContact CG-CG1 3.82Å; L254-V270 HydrophobicContact CD1-CG1 4.3Å; L254-V270 HydrophobicContact CD1-CG2 4.03Å; L254-V270 HydrophobicContact CD2-CG2 3.84Å; L268-V270 HydrophobicContact CG-CG2 4.41Å; V270-A294 HydrophobicContact CG2-CB 3.66Å; V270-S296 PolarHBondContact N-O 2.81Å; V270-F297 HydrophobicContact CB-CD2 3.83Å; V270-F297 HydrophobicContact CG1-CD2 3.63Å; V270-F297 HydrophobicContact CG1-CE2 3.99Å; V270-F297 WeakPolarHBondContact O-CA 3.34Å; V270-N298 PolarHBondContact O-N 2.84Å; V270-N298 PolarHBondContact O-OD1 3.3Å
271D98.9Very high98.4Very high6 Ų619.1 Ų19.13%0.0329%0.093CC..EExtended strand (participates in β ladder)trans-92.7108.1170.7-17710.5000109.8V240 A241 T242 L243 A273 N298V240-D271 HydrophobicContact CG1-CB 4.11Å; A241-D271 PolarHBondContact O-N 3.15Å; T242-D271 CarbonylContact C-O 3.56Å; T242-D271 WeakPolarHBondContact CA-O 3.11Å; L243-D271 PolarHBondContact N-O 2.59Å; D271-A273 VanDerWaalsContact OD1-CB 3.29Å; D271-A273 WeakPolarHBondContact OD1-CB 3.33Å; D271-A273 PolarHBondContact OD1-N 2.9Å; D271-N298 WeakPolarHBondContact CA-OD1 3.43Å; D271-N298 PolarHBondContact OD1-ND2 3.5Å
272A98.9Very high98.4Very high0 Ų022.4 Ų22.40%011%0.114CC..  trans-114.629.5175.300000111.7L243 Y274 A275 G276 F279 F297 N298 F299L243-A272 HydrophobicContact CB-CB 4.02Å; L243-A272 WeakPolarHBondContact O-CA 3.34Å; A272-Y274 CarbonylContact O-C 3.57Å; A272-Y274 PolarHBondContact O-N 2.94Å; A272-A275 PolarHBondContact O-N 2.76Å; A272-G276 WeakPolarHBondContact O-CA 3.45Å; A272-G276 PolarHBondContact O-N 3.32Å; A272-F279 HydrophobicContact CB-CE2 4.16Å; A272-F297 HydrophobicContact CB-CE2 3.54Å; A272-F297 HydrophobicContact CB-CZ 3.76Å; A272-N298 CarbonylContact C-O 3.24Å; A272-N298 WeakPolarHBondContact CA-O 3.37Å; A272-N298 WeakPolarHBondContact CB-O 3.39Å; A272-N298 PolarHBondContact N-O 2.77Å; A272-F299 HydrophobicContact CB-CB 4.18Å; A272-F299 WeakPolarHBondContact O-CB 3.27Å
273A98.9Very high98.5Very high8 Ų822.4 Ų22.47%0.06611%0.112CC..THydrogen-bonded Turntrans-36.7-48.4-170.200000115A148 D271 N300 K303A148-A273 HydrophobicContact CB-CB 3.86Å; D271-A273 VanDerWaalsContact OD1-CB 3.29Å; D271-A273 WeakPolarHBondContact OD1-CB 3.33Å; D271-A273 PolarHBondContact OD1-N 2.9Å; A273-N300 WeakPolarHBondContact O-CB 3.32Å; A273-N300 PolarHBondContact O-N 2.86Å; A273-K303 HydrophobicContact CB-CD 4.32Å; A273-K303 WeakPolarHBondContact O-CD 3.48Å
274Y98.9Very high98.5Very high1 Ų115.9 Ų15.90%0.0048%0.084CC..THydrogen-bonded Turntrans-91.7-57.9176.7170-111.7000113F80 P81 A272 G276 S277 W304 L406 G407F80-Y274 HydrophobicContact CB-CD2 4.08Å; F80-Y274 HydrophobicContact CB-CG 4.48Å; F80-Y274 AromaticContact CD1-CD1 3.74Å; F80-Y274 HydrophobicContact CD1-CD1 3.74Å; F80-Y274 AromaticContact CD1-CD2 3.48Å; F80-Y274 HydrophobicContact CD1-CD2 3.48Å; F80-Y274 VanDerWaalsContact CD1-CD2 3.48Å; F80-Y274 AromaticContact CD1-CE1 3.91Å; F80-Y274 HydrophobicContact CD1-CE1 3.91Å; F80-Y274 AromaticContact CD1-CE2 3.66Å; F80-Y274 HydrophobicContact CD1-CE2 3.66Å; F80-Y274 AromaticContact CD1-CG 3.51Å; F80-Y274 HydrophobicContact CD1-CG 3.51Å; F80-Y274 AromaticContact CD1-CZ 3.87Å; F80-Y274 HydrophobicContact CD2-CD2 4.42Å; F80-Y274 AromaticContact CD2-CG 3.99Å; F80-Y274 HydrophobicContact CD2-CG 3.99Å; F80-Y274 AromaticContact CE1-CD1 3.26Å; F80-Y274 HydrophobicContact CE1-CD1 3.26Å; F80-Y274 AromaticContact CE1-CD2 3.94Å; F80-Y274 HydrophobicContact CE1-CD2 3.94Å; F80-Y274 AromaticContact CE1-CE1 3.4Å; F80-Y274 HydrophobicContact CE1-CE1 3.4Å; F80-Y274 HydrophobicContact CE1-CE2 4.06Å; F80-Y274 AromaticContact CE1-CG 3.54Å; F80-Y274 HydrophobicContact CE1-CG 3.54Å; F80-Y274 AromaticContact CE1-CZ 3.8Å; F80-Y274 HydrophobicContact CE2-CD1 4.07Å; F80-Y274 AromaticContact CE2-CG 3.96Å; F80-Y274 HydrophobicContact CE2-CG 3.96Å; F80-Y274 HydrophobicContact CG-CD1 4.36Å; F80-Y274 AromaticContact CG-CD2 3.76Å; F80-Y274 HydrophobicContact CG-CD2 3.76Å; F80-Y274 HydrophobicContact CG-CE2 4.36Å; F80-Y274 AromaticContact CG-CG 3.75Å; F80-Y274 HydrophobicContact CG-CG 3.75Å; F80-Y274 AromaticContact CZ-CD1 3.45Å; F80-Y274 HydrophobicContact CZ-CD1 3.45Å; F80-Y274 VanDerWaalsContact CZ-CD1 3.45Å; F80-Y274 HydrophobicContact CZ-CE1 4Å; F80-Y274 AromaticContact CZ-CG 3.76Å; F80-Y274 HydrophobicContact CZ-CG 3.76Å; P81-Y274 HydrophobicContact CG-CE2 4.12Å; A272-Y274 CarbonylContact O-C 3.57Å; A272-Y274 PolarHBondContact O-N 2.94Å; Y274-G276 PolarHBondContact O-N 2.86Å; Y274-S277 PolarHBondContact O-N 2.86Å; Y274-W304 HydrophobicContact CD2-CB 4.26Å; Y274-W304 HydrophobicContact CD2-CD2 4.32Å; Y274-W304 HydrophobicContact CD2-CE3 4.02Å; Y274-W304 HydrophobicContact CD2-CG 4.47Å; Y274-W304 HydrophobicContact CE1-CE3 4.25Å; Y274-W304 HydrophobicContact CE1-CZ3 4.04Å; Y274-W304 HydrophobicContact CE2-CB 4.17Å; Y274-W304 AromaticContact CE2-CD2 3.51Å; Y274-W304 HydrophobicContact CE2-CD2 3.51Å; Y274-W304 AromaticContact CE2-CE3 3.37Å; Y274-W304 HydrophobicContact CE2-CE3 3.37Å; Y274-W304 AromaticContact CE2-CG 3.89Å; Y274-W304 HydrophobicContact CE2-CG 3.89Å; Y274-W304 HydrophobicContact CE2-CH2 4.47Å; Y274-W304 AromaticContact CE2-CZ3 3.91Å; Y274-W304 HydrophobicContact CE2-CZ3 3.91Å; Y274-W304 AromaticContact CZ-CD2 3.93Å; Y274-W304 AromaticContact CZ-CE3 3.51Å; Y274-W304 AromaticContact CZ-CH2 3.9Å; Y274-W304 AromaticContact CZ-CZ3 3.5Å; Y274-W304 WeakPolarHBondContact OH-CH2 3.48Å; Y274-W304 WeakPolarHBondContact OH-CZ2 3.09Å; Y274-W304 WeakPolarHBondContact OH-CZ3 3.43Å; Y274-L406 HydrophobicContact CE1-CB 4.23Å; Y274-L406 HydrophobicContact CE1-CD1 4.39Å; Y274-G407 WeakPolarHBondContact OH-CA 3.25Å; Y274-G407 PolarHBondContact OH-N 2.63Å; Y274-G407 VanDerWaalsContact OH-N 3.1Å
275A98.8Very high98.6Very high0 Ų016 Ų160%08%0.082CC..G310 helixtrans-69.4-19.7-17000000113.8L243 F251 A272 S277 A278 F279 L406L243-A275 WeakPolarHBondContact O-CB 3.49Å; F251-A275 HydrophobicContact CE1-CB 3.71Å; F251-A275 HydrophobicContact CZ-CB 4.03Å; A272-A275 PolarHBondContact O-N 2.76Å; A275-S277 PolarHBondContact O-N 2.94Å; A275-S277 VanDerWaalsContact O-N 3.13Å; A275-A278 WeakPolarHBondContact O-CA 3.4Å; A275-A278 VanDerWaalsContact O-CB 3.24Å; A275-A278 WeakPolarHBondContact O-CB 3.31Å; A275-A278 PolarHBondContact O-N 3.47Å; A275-F279 HydrophobicContact CB-CZ 4.11Å; A275-L406 HydrophobicContact CB-CD1 3.61Å
276G98.8Very high98.8Very high0 Ų017 Ų170%08%0.084CC..G310 helixtrans-55.8-31.9179.300000113.6L126 A272 Y274 A278 F279 F299L126-G276 WeakPolarHBondContact CD2-O 3.36Å; A272-G276 WeakPolarHBondContact O-CA 3.45Å; A272-G276 PolarHBondContact O-N 3.32Å; Y274-G276 PolarHBondContact O-N 2.86Å; G276-A278 VanDerWaalsContact C-N 3.26Å; G276-A278 PolarHBondContact O-N 2.89Å; G276-F279 PolarHBondContact O-N 2.88Å; G276-F299 VanDerWaalsContact C-CD2 3.48Å
277S98.8Very high98.8Very high0 Ų018.3 Ų18.30%09%0.091CC..G310 helixtrans-60-37.4173.1-680000112.2Y274 A275 F279 I280 F299 W304 I378Y274-S277 PolarHBondContact O-N 2.86Å; A275-S277 PolarHBondContact O-N 2.94Å; A275-S277 VanDerWaalsContact O-N 3.13Å; S277-F279 PolarHBondContact O-N 2.93Å; S277-I280 WeakPolarHBondContact O-CG1 3.24Å; S277-I280 PolarHBondContact O-N 3.42Å; S277-F299 VanDerWaalsContact N-CD2 3.31Å; S277-F299 WeakPolarHBondContact OG-CE2 3.41Å; S277-W304 WeakPolarHBondContact CB-O 3.32Å; S277-W304 PolarHBondContact OG-O 3.26Å; S277-I378 WeakPolarHBondContact O-CD1 3.02Å
278A98.8Very high98.7Very high0 Ų018.2 Ų18.20%09%0.091CC..G310 helixtrans-64.8-25.5-176.400000113A275 G276 I280 C281 F284 W304 I378 L406A275-A278 WeakPolarHBondContact O-CA 3.4Å; A275-A278 VanDerWaalsContact O-CB 3.24Å; A275-A278 WeakPolarHBondContact O-CB 3.31Å; A275-A278 PolarHBondContact O-N 3.47Å; G276-A278 VanDerWaalsContact C-N 3.26Å; G276-A278 PolarHBondContact O-N 2.89Å; A278-I280 PolarHBondContact O-N 2.92Å; A278-I280 VanDerWaalsContact O-N 3.14Å; A278-C281 VanDerWaalsContact O-CB 3.3Å; A278-C281 WeakPolarHBondContact O-CB 3.25Å; A278-C281 PolarHBondContact O-N 2.92Å; A278-F284 HydrophobicContact CB-CB 4.14Å; A278-F284 HydrophobicContact CB-CD2 3.95Å; A278-F284 HydrophobicContact CB-CG 4.26Å; A278-W304 HydrophobicContact CB-CZ3 4.13Å; A278-I378 HydrophobicContact CB-CG2 4.24Å; A278-L406 HydrophobicContact CB-CD1 4.04Å; A278-L406 HydrophobicContact CB-CD2 3.79Å
279F98.8Very high98.7Very high0 Ų022.6 Ų22.60%011%0.114CC..G310 helixtrans-73.9-4.3-175.9-48.3-33.6000113.7L126 L243 F251 A272 A275 G276 S277 C281 F284 R285 L287 L288 F297L126-F279 HydrophobicContact CD2-CB 3.86Å; L243-F279 HydrophobicContact CB-CZ 4.27Å; L243-F279 HydrophobicContact CD1-CE2 3.96Å; L243-F279 HydrophobicContact CD1-CZ 4.06Å; F251-F279 HydrophobicContact CE1-CZ 4.36Å; A272-F279 HydrophobicContact CB-CE2 4.16Å; A275-F279 HydrophobicContact CB-CZ 4.11Å; G276-F279 PolarHBondContact O-N 2.88Å; S277-F279 PolarHBondContact O-N 2.93Å; F279-C281 PolarHBondContact O-N 3.07Å; F279-F284 HydrophobicContact CD1-CB 4.49Å; F279-F284 WeakPolarHBondContact CD1-O 3.46Å; F279-R285 HydrophobicContact CB-CG 4.37Å; F279-R285 WeakPolarHBondContact O-CG 3.46Å; F279-R285 PolarHBondContact O-NE 2.89Å; F279-L287 HydrophobicContact CE1-CB 3.74Å; F279-L287 HydrophobicContact CE1-CD1 4.34Å; F279-L287 HydrophobicContact CZ-CB 4.28Å; F279-L288 HydrophobicContact CB-CD2 4.14Å; F279-L288 HydrophobicContact CD1-CB 4.43Å; F279-L288 HydrophobicContact CD2-CB 4.03Å; F279-L288 HydrophobicContact CD2-CD1 3.87Å; F279-L288 HydrophobicContact CD2-CD2 3.79Å; F279-L288 HydrophobicContact CD2-CG 4.11Å; F279-L288 HydrophobicContact CE2-CB 4.16Å; F279-L288 HydrophobicContact CE2-CD1 3.79Å; F279-L288 HydrophobicContact CE2-CG 4.37Å; F279-L288 HydrophobicContact CG-CB 4.18Å; F279-L288 HydrophobicContact CG-CD2 4.12Å; F279-L288 HydrophobicContact CZ-CB 4.43Å; F279-F297 HydrophobicContact CD2-CZ 4.39Å
280I98.8Very high98.7Very high0 Ų022.6 Ų22.60%011%0.114CC..G310 helixtrans-69.6-20.8164.779.2174.6000111.6M125 L126 S277 A278 L305 L374 Q375 I378M125-I280 HydrophobicContact CB-CG2 4.12Å; M125-I280 HydrophobicContact CE-CB 4.39Å; M125-I280 HydrophobicContact CE-CD1 4.31Å; M125-I280 HydrophobicContact CE-CG2 3.99Å; L126-I280 HydrophobicContact CD2-CG2 3.8Å; S277-I280 WeakPolarHBondContact O-CG1 3.24Å; S277-I280 PolarHBondContact O-N 3.42Å; A278-I280 PolarHBondContact O-N 2.92Å; A278-I280 VanDerWaalsContact O-N 3.14Å; I280-L305 HydrophobicContact CD1-CD1 3.72Å; I280-L374 HydrophobicContact CD1-CB 3.59Å; I280-Q375 HydrophobicContact CD1-CG 4.11Å; I280-Q375 HydrophobicContact CG1-CG 3.89Å; I280-Q375 PolarHBondContact O-NE2 2.86Å; I280-I378 HydrophobicContact CD1-CD1 3.56Å; I280-I378 HydrophobicContact CG1-CD1 3.65Å
281C98.9Very high98.7Very high0 Ų023 Ų230%012%0.117CC..SBendtrans-91.1120.1174.6-58.30000109.1A278 F279 E283 F284A278-C281 VanDerWaalsContact O-CB 3.3Å; A278-C281 WeakPolarHBondContact O-CB 3.25Å; A278-C281 PolarHBondContact O-N 2.92Å; F279-C281 PolarHBondContact O-N 3.07Å; C281-E283 HydrophobicContact CB-CG 4.48Å; C281-E283 PolarHBondContact O-N 3.45Å; C281-E283 VanDerWaalsContact O-N 3.14Å; C281-F284 HydrophobicContact CB-CD2 3.65Å; C281-F284 HydrophobicContact CB-CE2 4.09Å; C281-F284 PolarHBondContact O-N 2.92Å; C281-F284 VanDerWaalsContact O-N 3.1Å
282P98.7Very high98.6Very high68 Ų6827.1 Ų27.144%0.44214%0.136SC..G310 helixtrans-53.6-37-175.7-28.235000114.7F284 R285P282-F284 PolarHBondContact O-N 3.35Å; P282-R285 WeakPolarHBondContact O-CB 3.49Å; P282-R285 PolarHBondContact O-N 2.82Å
283E98.8Very high98.6Very high81 Ų8129.3 Ų29.338%0.37915%0.146SC..G310 helixtrans-64.5-22.1-178.363.6-88.8-151.900114.2C281 H286 R379C281-E283 HydrophobicContact CB-CG 4.48Å; C281-E283 PolarHBondContact O-N 3.45Å; C281-E283 VanDerWaalsContact O-N 3.14Å; E283-H286 PolarHBondContact O-CE1 2.87Å; E283-H286 PolarHBondContact O-ND1 3.15Å; E283-R379 IonicContact OE1-CZ 3.24Å; E283-R379 VanDerWaalsContact OE1-CZ 3.3Å; E283-R379 IonicContact OE1-NE 3.31Å; E283-R379 PolarHBondContact OE1-NE 3.27Å; E283-R379 IonicContact OE1-NH2 2.71Å; E283-R379 PolarHBondContact OE1-NH2 2.86Å; E283-R379 VanDerWaalsContact OE1-NH2 3.08Å; E283-R379 IonicContact OE2-CZ 2.8Å; E283-R379 IonicContact OE2-NE 3.25Å; E283-R379 IonicContact OE2-NH2 3.81Å; E283-R379 PolarHBondContact OE2-NH2 3.39Å
284F98.8Very high98.6Very high27 Ų2729 Ų2912%0.11814%0.143CC..G310 helixtrans-98.5-6.5177.9-57.1-51.8000113.4A278 F279 C281 P282 H286 L287 I378 V382 L406A278-F284 HydrophobicContact CB-CB 4.14Å; A278-F284 HydrophobicContact CB-CD2 3.95Å; A278-F284 HydrophobicContact CB-CG 4.26Å; F279-F284 HydrophobicContact CD1-CB 4.49Å; F279-F284 WeakPolarHBondContact CD1-O 3.46Å; C281-F284 HydrophobicContact CB-CD2 3.65Å; C281-F284 HydrophobicContact CB-CE2 4.09Å; C281-F284 PolarHBondContact O-N 2.92Å; C281-F284 VanDerWaalsContact O-N 3.1Å; P282-F284 PolarHBondContact O-N 3.35Å; F284-H286 PolarHBondContact O-N 3.43Å; F284-L287 HydrophobicContact CB-CD1 4.43Å; F284-L287 WeakPolarHBondContact O-CB 3.45Å; F284-L287 WeakPolarHBondContact O-CG 3.37Å; F284-L287 PolarHBondContact O-N 3.48Å; F284-I378 HydrophobicContact CD2-CG2 4.46Å; F284-I378 HydrophobicContact CE2-CG2 4.16Å; F284-V382 HydrophobicContact CE1-CG1 4.28Å; F284-V382 HydrophobicContact CE2-CG2 4.14Å; F284-V382 HydrophobicContact CZ-CB 4.16Å; F284-V382 HydrophobicContact CZ-CG1 3.9Å; F284-V382 HydrophobicContact CZ-CG2 3.87Å; F284-L406 HydrophobicContact CD1-CD2 3.97Å; F284-L406 HydrophobicContact CD2-CD2 4.32Å; F284-L406 HydrophobicContact CE1-CD2 4.15Å; F284-L406 HydrophobicContact CG-CD2 4.09Å; F284-L406 HydrophobicContact CZ-CD2 4.45Å
285R98.2Very high98.6Very high42 Ų4230.1 Ų30.116%0.15815%0.149CC..G310 helixtrans-66.8-21.4-174.8-71.6-179.6-172.2157.1-12.1114.4M125 E127 F279 P282 L287 L288M125-R285 PolarHBondContact O-NH2 3Å; E127-R285 IonicContact OE1-CZ 2.74Å; E127-R285 VanDerWaalsContact OE1-CZ 3.31Å; E127-R285 IonicContact OE1-NH1 2.75Å; E127-R285 PolarHBondContact OE1-NH1 3.27Å; E127-R285 IonicContact OE1-NH2 2.84Å; E127-R285 PolarHBondContact OE1-NH2 3.07Å; E127-R285 IonicContact OE2-CZ 3.77Å; E127-R285 IonicContact OE2-NH1 3.1Å; E127-R285 PolarHBondContact OE2-NH1 2.99Å; F279-R285 HydrophobicContact CB-CG 4.37Å; F279-R285 WeakPolarHBondContact O-CG 3.46Å; F279-R285 PolarHBondContact O-NE 2.89Å; P282-R285 WeakPolarHBondContact O-CB 3.49Å; P282-R285 PolarHBondContact O-N 2.82Å; R285-L287 PolarHBondContact O-N 3.13Å; R285-L287 VanDerWaalsContact O-N 3.14Å; R285-L288 WeakPolarHBondContact O-CA 3.45Å; R285-L288 VanDerWaalsContact O-CB 3.32Å; R285-L288 WeakPolarHBondContact O-CB 3.36Å; R285-L288 PolarHBondContact O-N 3.41Å
286H98.4Very high98.6Very high110 Ų11030.1 Ų30.151%0.50915%0.149SC..G310 helixtrans-59.1-25175.467.5-86.3000112.6E283 F284 L288 N289E283-H286 PolarHBondContact O-CE1 2.87Å; E283-H286 PolarHBondContact O-ND1 3.15Å; F284-H286 PolarHBondContact O-N 3.43Å; H286-L288 PolarHBondContact O-N 3.01Å; H286-N289 WeakPolarHBondContact O-CB 3.17Å; H286-N289 PolarHBondContact O-N 2.93Å; H286-N289 PolarHBondContact O-ND2 3.07Å
287L98.5Very high98.6Very high31 Ų3130.1 Ų30.116%0.16215%0.149CC..G310 helixtrans-71.1-13.4174.3-59168.7000113.3F251 F279 F284 R285 T405F251-L287 HydrophobicContact CD1-CB 4.02Å; F251-L287 HydrophobicContact CD1-CD2 4.32Å; F251-L287 HydrophobicContact CD2-CD2 4.16Å; F251-L287 HydrophobicContact CE1-CB 4Å; F251-L287 HydrophobicContact CE1-CD1 3.88Å; F251-L287 HydrophobicContact CE1-CD2 4.43Å; F251-L287 HydrophobicContact CE1-CG 4.33Å; F251-L287 HydrophobicContact CE2-CD1 4.23Å; F251-L287 HydrophobicContact CE2-CD2 4.28Å; F251-L287 HydrophobicContact CG-CD2 4.2Å; F251-L287 HydrophobicContact CZ-CD1 3.72Å; F251-L287 HydrophobicContact CZ-CD2 4.43Å; F251-L287 HydrophobicContact CZ-CG 4.49Å; F279-L287 HydrophobicContact CE1-CB 3.74Å; F279-L287 HydrophobicContact CE1-CD1 4.34Å; F279-L287 HydrophobicContact CZ-CB 4.28Å; F284-L287 HydrophobicContact CB-CD1 4.43Å; F284-L287 WeakPolarHBondContact O-CB 3.45Å; F284-L287 WeakPolarHBondContact O-CG 3.37Å; F284-L287 PolarHBondContact O-N 3.48Å; R285-L287 PolarHBondContact O-N 3.13Å; R285-L287 VanDerWaalsContact O-N 3.14Å; L287-T405 HydrophobicContact CD1-CG2 3.78Å; L287-T405 HydrophobicContact CD2-CG2 4.19Å
288L98.4Very high98.6Very high9 Ų930.1 Ų30.15%0.04715%0.149CC..G310 helixtrans-98.9-4.3177.6-171.260.9000112.4L128 L243 F279 R285 H286 G290 V291 F297L128-L288 HydrophobicContact CD2-CD2 4.14Å; L243-L288 HydrophobicContact CD1-CD1 3.64Å; F279-L288 HydrophobicContact CB-CD2 4.14Å; F279-L288 HydrophobicContact CD1-CB 4.43Å; F279-L288 HydrophobicContact CD2-CB 4.03Å; F279-L288 HydrophobicContact CD2-CD1 3.87Å; F279-L288 HydrophobicContact CD2-CD2 3.79Å; F279-L288 HydrophobicContact CD2-CG 4.11Å; F279-L288 HydrophobicContact CE2-CB 4.16Å; F279-L288 HydrophobicContact CE2-CD1 3.79Å; F279-L288 HydrophobicContact CE2-CG 4.37Å; F279-L288 HydrophobicContact CG-CB 4.18Å; F279-L288 HydrophobicContact CG-CD2 4.12Å; F279-L288 HydrophobicContact CZ-CB 4.43Å; R285-L288 WeakPolarHBondContact O-CA 3.45Å; R285-L288 VanDerWaalsContact O-CB 3.32Å; R285-L288 WeakPolarHBondContact O-CB 3.36Å; R285-L288 PolarHBondContact O-N 3.41Å; H286-L288 PolarHBondContact O-N 3.01Å; L288-G290 PolarHBondContact O-N 2.87Å; L288-V291 HydrophobicContact CD1-CB 3.74Å; L288-V291 HydrophobicContact CD1-CG1 4.2Å; L288-V291 HydrophobicContact CD1-CG2 3.86Å; L288-V291 HydrophobicContact CD2-CG1 4.31Å; L288-V291 HydrophobicContact CG-CB 3.88Å; L288-V291 HydrophobicContact CG-CG1 3.79Å; L288-V291 HydrophobicContact CG-CG2 4.36Å; L288-V291 WeakPolarHBondContact O-CB 3.44Å; L288-V291 WeakPolarHBondContact O-CG1 3.29Å; L288-V291 PolarHBondContact O-N 3.1Å; L288-F297 HydrophobicContact CD1-CD2 4.21Å; L288-F297 HydrophobicContact CD1-CE2 3.61Å; L288-F297 HydrophobicContact CD1-CZ 4.3Å
289N98.6Very high98.6Very high91 Ų9130.1 Ų30.149%0.48715%0.149SC..THydrogen-bonded Turntrans-55.1129.9179.7-71.9-12.1000110.9L254 L255 H286L254-N289 WeakPolarHBondContact CB-O 3.4Å; L255-N289 HydrophobicContact CD1-CB 4.07Å; L255-N289 HydrophobicContact CD2-CB 4.34Å; L255-N289 HydrophobicContact CG-CB 4.2Å; H286-N289 WeakPolarHBondContact O-CB 3.17Å; H286-N289 PolarHBondContact O-N 2.93Å; H286-N289 PolarHBondContact O-ND2 3.07Å
290G98.4Very high98.6Very high0 Ų030.3 Ų30.30%015%0.15CC..THydrogen-bonded Turntrans98.9-5.4-173.100000114.1L288 E292 F293L288-G290 PolarHBondContact O-N 2.87Å; G290-E292 WeakPolarHBondContact CA-OE2 3.44Å; G290-E292 PolarHBondContact N-OE2 3.27Å; G290-E292 PolarHBondContact O-N 2.8Å; G290-E292 VanDerWaalsContact O-N 3.12Å; G290-F293 WeakPolarHBondContact O-CB 3.4Å; G290-F293 WeakPolarHBondContact O-CD2 3.38Å; G290-F293 PolarHBondContact O-N 2.9Å
291V98.6Very high98.6Very high9 Ų930.3 Ų30.36%0.05515%0.15CC..G310 helixtrans-59.2-21.8174.270.20000113L128 P129 F132 L288 F293 A294 F297L128-V291 HydrophobicContact CD2-CG2 4.08Å; P129-V291 HydrophobicContact CG-CG1 3.98Å; F132-V291 HydrophobicContact CE2-CG2 4.44Å; L288-V291 HydrophobicContact CD1-CB 3.74Å; L288-V291 HydrophobicContact CD1-CG1 4.2Å; L288-V291 HydrophobicContact CD1-CG2 3.86Å; L288-V291 HydrophobicContact CD2-CG1 4.31Å; L288-V291 HydrophobicContact CG-CB 3.88Å; L288-V291 HydrophobicContact CG-CG1 3.79Å; L288-V291 HydrophobicContact CG-CG2 4.36Å; L288-V291 WeakPolarHBondContact O-CB 3.44Å; L288-V291 WeakPolarHBondContact O-CG1 3.29Å; L288-V291 PolarHBondContact O-N 3.1Å; V291-F293 PolarHBondContact O-N 3.18Å; V291-A294 HydrophobicContact CG2-CB 4.41Å; V291-A294 VanDerWaalsContact O-CB 3.27Å; V291-A294 WeakPolarHBondContact O-CB 3.26Å; V291-A294 PolarHBondContact O-N 3.5Å; V291-F297 HydrophobicContact CG2-CD2 4.1Å
292E97.9Very high98.6Very high92 Ų9230.9 Ų30.943%0.4315%0.153SC..G310 helixtrans-59.8-23.5173.166.2-85.7-160.500113.4P129 G290 K317P129-E292 HydrophobicContact CG-CB 4.21Å; G290-E292 WeakPolarHBondContact CA-OE2 3.44Å; G290-E292 PolarHBondContact N-OE2 3.27Å; G290-E292 PolarHBondContact O-N 2.8Å; G290-E292 VanDerWaalsContact O-N 3.12Å; E292-K317 PolarHBondContact O-NZ 3.02Å
293F98.7Very high98.6Very high47 Ų4729.5 Ų29.521%0.20614%0.14CC..G310 helixtrans-77.6-23.8173.3-59.8-68.1000112.4L255 G258 P259 N262 L268 G290 V291L255-F293 HydrophobicContact CD2-CE2 4.49Å; G258-F293 VanDerWaalsContact CA-CB 3.47Å; P259-F293 HydrophobicContact CG-CD2 4.47Å; P259-F293 HydrophobicContact CG-CE1 4.02Å; P259-F293 HydrophobicContact CG-CE2 3.98Å; P259-F293 HydrophobicContact CG-CZ 3.74Å; N262-F293 PolarHBondContact OD1-O 2.89Å; L268-F293 HydrophobicContact CD2-CB 4.15Å; G290-F293 WeakPolarHBondContact O-CB 3.4Å; G290-F293 WeakPolarHBondContact O-CD2 3.38Å; G290-F293 PolarHBondContact O-N 2.9Å; V291-F293 PolarHBondContact O-N 3.18Å
294A98.7Very high98.6Very high0 Ų025.6 Ų25.60%012%0.122CC..  trans-66143.8-173.600000113.4F132 L268 V270 V291 K317F132-A294 HydrophobicContact CZ-CB 4.24Å; F132-A294 WeakPolarHBondContact CZ-O 3.41Å; L268-A294 HydrophobicContact CD2-CB 4.44Å; L268-A294 HydrophobicContact CG-CB 4.35Å; V270-A294 HydrophobicContact CG2-CB 3.66Å; V291-A294 HydrophobicContact CG2-CB 4.41Å; V291-A294 VanDerWaalsContact O-CB 3.27Å; V291-A294 WeakPolarHBondContact O-CB 3.26Å; V291-A294 PolarHBondContact O-N 3.5Å; A294-K317 WeakPolarHBondContact O-CE 3.27Å; A294-K317 PolarHBondContact O-NZ 2.67Å
295D98.8Very high98.6Very high25 Ų2524.3 Ų24.313%0.13412%0.116CC..SBendtrans-85.4-28.2167.4-65.8-83.3000111.2W267 L268 V316 K317W267-D295 VanDerWaalsContact CA-OD2 3.27Å; W267-D295 WeakPolarHBondContact CA-OD2 3.44Å; W267-D295 HydrophobicContact CD2-CB 3.62Å; W267-D295 HydrophobicContact CE3-CB 4.18Å; W267-D295 HydrophobicContact CG-CB 3.89Å; W267-D295 HydrophobicContact CH2-CB 4.49Å; W267-D295 HydrophobicContact CZ2-CB 3.99Å; L268-D295 PolarHBondContact N-OD2 2.91Å; L268-D295 PolarHBondContact O-N 2.97Å; D295-V316 CarbonylContact O-C 3.24Å; D295-V316 WeakPolarHBondContact O-CA 3.28Å; D295-K317 PolarHBondContact O-N 3.43Å
296S98.9Very high98.6Very high0 Ų022.4 Ų22.40%011%0.109CC..EExtended strand (participates in β ladder)trans-150.4151.1178.458.40000112W267 L268 H269 V270 W315W267-S296 PolarHBondContact NE1-OG 3.25Å; L268-S296 PolarHBondContact O-N 3.43Å; H269-S296 WeakPolarHBondContact CA-O 3.48Å; H269-S296 WeakPolarHBondContact CA-OG 3.23Å; H269-S296 WeakPolarHBondContact CB-OG 3.22Å; H269-S296 PolarHBondContact ND1-OG 3.04Å; V270-S296 PolarHBondContact N-O 2.81Å; S296-W315 CarbonylContact C-O 3.59Å; S296-W315 WeakPolarHBondContact CA-O 3.41Å; S296-W315 WeakPolarHBondContact CB-O 3.48Å
297F98.9Very high98.6Very high0 Ų017.2 Ų17.20%09%0.085CC..EExtended strand (participates in β ladder)trans-139.1136.8-179.4171.4-93.9000108.9L126 L128 V270 A272 F279 L288 V291 F299 M314 W315L126-F297 HydrophobicContact CD1-CE1 4.01Å; L128-F297 HydrophobicContact CD1-CD1 3.92Å; L128-F297 HydrophobicContact CD1-CE1 4.25Å; L128-F297 HydrophobicContact CD2-CD1 4.02Å; L128-F297 HydrophobicContact CD2-CE1 4.16Å; L128-F297 HydrophobicContact CD2-CG 4.26Å; V270-F297 HydrophobicContact CB-CD2 3.83Å; V270-F297 HydrophobicContact CG1-CD2 3.63Å; V270-F297 HydrophobicContact CG1-CE2 3.99Å; V270-F297 WeakPolarHBondContact O-CA 3.34Å; A272-F297 HydrophobicContact CB-CE2 3.54Å; A272-F297 HydrophobicContact CB-CZ 3.76Å; F279-F297 HydrophobicContact CD2-CZ 4.39Å; L288-F297 HydrophobicContact CD1-CD2 4.21Å; L288-F297 HydrophobicContact CD1-CE2 3.61Å; L288-F297 HydrophobicContact CD1-CZ 4.3Å; V291-F297 HydrophobicContact CG2-CD2 4.1Å; F297-F299 HydrophobicContact CE1-CB 4.49Å; F297-F299 AromaticContact CE1-CD1 3.88Å; F297-F299 HydrophobicContact CE1-CD1 3.88Å; F297-F299 HydrophobicContact CZ-CB 4.45Å; F297-F299 HydrophobicContact CZ-CD1 4.42Å; F297-M314 CarbonylContact O-C 3.59Å; F297-M314 WeakPolarHBondContact O-CA 3.49Å; F297-W315 AromaticContact CD1-CE3 3.71Å; F297-W315 HydrophobicContact CD1-CE3 3.71Å; F297-W315 HydrophobicContact CD1-CZ3 4Å; F297-W315 HydrophobicContact CE1-CE3 4.26Å; F297-W315 HydrophobicContact CE1-CZ3 4.09Å; F297-W315 PolarHBondContact N-O 2.97Å; F297-W315 PolarHBondContact O-N 2.92Å
298N98.9Very high98.5Very high0 Ų016.8 Ų16.80%08%0.083CC..EExtended strand (participates in β ladder)trans-130.7152.1169.576.5-89.3000112.5A148 A151 H269 V270 D271 A272 A313 M314A148-N298 WeakPolarHBondContact CB-ND2 3.48Å; A151-N298 HydrophobicContact CB-CB 3.82Å; H269-N298 PolarHBondContact CE1-OD1 3.23Å; H269-N298 PolarHBondContact NE2-OD1 3.07Å; V270-N298 PolarHBondContact O-N 2.84Å; V270-N298 PolarHBondContact O-OD1 3.3Å; D271-N298 WeakPolarHBondContact CA-OD1 3.43Å; D271-N298 PolarHBondContact OD1-ND2 3.5Å; A272-N298 CarbonylContact C-O 3.24Å; A272-N298 WeakPolarHBondContact CA-O 3.37Å; A272-N298 WeakPolarHBondContact CB-O 3.39Å; A272-N298 PolarHBondContact N-O 2.77Å; N298-A313 CarbonylContact C-O 3.57Å; N298-A313 WeakPolarHBondContact CA-O 3.5Å; N298-A313 WeakPolarHBondContact CB-O 3.23Å; N298-M314 HydrophobicContact CB-CB 4.37Å
299F98.6Very high98.4Very high0 Ų022.5 Ų22.50%011%0.107CC..EExtended strand (participates in β ladder)trans-151172.115786.1-74.8000111.4L122 L126 A272 G276 S277 F297 P301 L305 A313 W315L122-F299 HydrophobicContact CD1-CE1 4.18Å; L122-F299 HydrophobicContact CD1-CZ 3.84Å; L122-F299 HydrophobicContact CD2-CE1 3.65Å; L122-F299 HydrophobicContact CD2-CZ 3.66Å; L122-F299 HydrophobicContact CG-CE1 3.97Å; L122-F299 HydrophobicContact CG-CZ 4.06Å; L126-F299 HydrophobicContact CD1-CD1 4.16Å; L126-F299 HydrophobicContact CD1-CE1 3.69Å; L126-F299 HydrophobicContact CD2-CE1 4.44Å; A272-F299 HydrophobicContact CB-CB 4.18Å; A272-F299 WeakPolarHBondContact O-CB 3.27Å; G276-F299 VanDerWaalsContact C-CD2 3.48Å; S277-F299 VanDerWaalsContact N-CD2 3.31Å; S277-F299 WeakPolarHBondContact OG-CE2 3.41Å; F297-F299 HydrophobicContact CE1-CB 4.49Å; F297-F299 AromaticContact CE1-CD1 3.88Å; F297-F299 HydrophobicContact CE1-CD1 3.88Å; F297-F299 HydrophobicContact CZ-CB 4.45Å; F297-F299 HydrophobicContact CZ-CD1 4.42Å; F299-P301 HydrophobicContact CE2-CG 4.06Å; F299-P301 HydrophobicContact CZ-CG 3.89Å; F299-P301 VanDerWaalsContact O-CD 3.23Å; F299-P301 WeakPolarHBondContact O-CD 3.48Å; F299-L305 HydrophobicContact CE2-CD2 4.13Å; F299-L305 HydrophobicContact CZ-CD2 3.97Å; F299-A313 HydrophobicContact CD1-CB 4.38Å; F299-A313 HydrophobicContact CE1-CB 4.17Å; F299-A313 PolarHBondContact N-O 3.08Å; F299-A313 PolarHBondContact O-N 3.03Å; F299-W315 HydrophobicContact CD1-CH2 4.23Å; F299-W315 AromaticContact CD1-CZ3 3.88Å; F299-W315 HydrophobicContact CD1-CZ3 3.88Å; F299-W315 AromaticContact CE1-CH2 3.78Å; F299-W315 HydrophobicContact CE1-CH2 3.78Å; F299-W315 AromaticContact CE1-CZ3 3.92Å; F299-W315 HydrophobicContact CE1-CZ3 3.92Å
300N98.9Very high98.4Very high4 Ų419.5 Ų19.52%0.0219%0.091CC..  trans-109.6103.5-176.4-63.7-15000111.8A273 H302 K303 S312A273-N300 WeakPolarHBondContact O-CB 3.32Å; A273-N300 PolarHBondContact O-N 2.86Å; N300-H302 WeakPolarHBondContact CB-NE2 3.48Å; N300-H302 VanDerWaalsContact CG-CE1 3.4Å; N300-H302 VanDerWaalsContact CG-NE2 3.3Å; N300-H302 PolarHBondContact ND2-NE2 3.27Å; N300-H302 PolarHBondContact O-N 3.46Å; N300-H302 VanDerWaalsContact O-N 3.12Å; N300-K303 HydrophobicContact CB-CB 4.04Å; N300-K303 HydrophobicContact CB-CD 4.17Å; N300-K303 HydrophobicContact CB-CG 3.78Å; N300-K303 PolarHBondContact O-N 2.75Å; N300-S312 VanDerWaalsContact OD1-CB 3.27Å; N300-S312 WeakPolarHBondContact OD1-CB 3.29Å; N300-S312 PolarHBondContact OD1-OG 3.3Å
301P98.8Very high98.4Very high0 Ų019.5 Ų19.50%09%0.091CC..Hα-helixtrans-51.1-31.6162.3-29.534.2000113A83 L122 F299 K303 L305 V307 C311 A313A83-P301 WeakPolarHBondContact CB-O 3.32Å; L122-P301 HydrophobicContact CD2-CG 3.99Å; F299-P301 HydrophobicContact CE2-CG 4.06Å; F299-P301 HydrophobicContact CZ-CG 3.89Å; F299-P301 VanDerWaalsContact O-CD 3.23Å; F299-P301 WeakPolarHBondContact O-CD 3.48Å; P301-K303 VanDerWaalsContact C-N 3.26Å; P301-K303 PolarHBondContact O-N 3.14Å; P301-L305 HydrophobicContact CB-CB 4.1Å; P301-L305 HydrophobicContact CB-CD2 4.21Å; P301-L305 HydrophobicContact CG-CD2 4.45Å; P301-L305 CarbonylContact O-C 3.48Å; P301-L305 WeakPolarHBondContact O-CA 3.1Å; P301-L305 WeakPolarHBondContact O-CB 3.42Å; P301-L305 PolarHBondContact O-N 3.32Å; P301-V307 HydrophobicContact CB-CB 4.03Å; P301-V307 HydrophobicContact CB-CG2 4.01Å; P301-C311 VanDerWaalsContact CD-O 3.32Å; P301-C311 WeakPolarHBondContact CD-O 3.35Å; P301-A313 HydrophobicContact CG-CB 4.04Å
302H98.6Very high98.4Very high12 Ų1219 Ų196%0.0569%0.089CC..Hα-helixtrans-73.6-5.8174.772.4-116.3000116.8T82 A83 N300 V307 F309 C311T82-H302 CarbonylContact C-O 3.56Å; T82-H302 WeakPolarHBondContact CA-O 3.44Å; A83-H302 PolarHBondContact N-O 3.49Å; N300-H302 WeakPolarHBondContact CB-NE2 3.48Å; N300-H302 VanDerWaalsContact CG-CE1 3.4Å; N300-H302 VanDerWaalsContact CG-NE2 3.3Å; N300-H302 PolarHBondContact ND2-NE2 3.27Å; N300-H302 PolarHBondContact O-N 3.46Å; N300-H302 VanDerWaalsContact O-N 3.12Å; H302-V307 WeakPolarHBondContact CA-O 3.46Å; H302-V307 WeakPolarHBondContact CB-O 3.45Å; H302-F309 HydrophobicContact CB-CB 4.26Å; H302-F309 HydrophobicContact CB-CD2 4.47Å; H302-F309 AromaticContact CD2-CD2 3.7Å; H302-F309 AromaticContact CE1-CD2 3.95Å; H302-F309 AromaticContact CG-CD2 3.81Å; H302-F309 AromaticContact ND1-CD2 3.97Å; H302-F309 AromaticContact NE2-CD2 3.83Å; H302-C311 HydrophobicContact CB-CB 4.24Å; H302-C311 PolarHBondContact N-O 2.98Å; H302-C311 PolarHBondContact ND1-N 2.78Å; H302-C311 PolarHBondContact ND1-O 3.26Å
303K98.6Very high98.4Very high39 Ų3914.7 Ų14.717%0.177%0.068CC..Hα-helixtrans-86.2-61.6167.7-76.9-173.5177.3178.90110.2F80 P81 A83 A273 N300 P301F80-K303 HydrophobicContact CB-CD 4.3Å; P81-K303 CarbonylContact C-O 3.59Å; P81-K303 WeakPolarHBondContact CB-O 3.14Å; P81-K303 CarbonylContact O-C 3.41Å; P81-K303 WeakPolarHBondContact O-CA 3.46Å; P81-K303 VanDerWaalsContact O-O 3.11Å; A83-K303 VanDerWaalsContact CB-O 3.31Å; A83-K303 WeakPolarHBondContact CB-O 3.19Å; A83-K303 PolarHBondContact N-O 3.4Å; A273-K303 HydrophobicContact CB-CD 4.32Å; A273-K303 WeakPolarHBondContact O-CD 3.48Å; N300-K303 HydrophobicContact CB-CB 4.04Å; N300-K303 HydrophobicContact CB-CD 4.17Å; N300-K303 HydrophobicContact CB-CG 3.78Å; N300-K303 PolarHBondContact O-N 2.75Å; P301-K303 VanDerWaalsContact C-N 3.26Å; P301-K303 PolarHBondContact O-N 3.14Å
304W98.5Very high98.5Very high0 Ų012.5 Ų12.50%06%0.059CC..Hα-helixtrans-13928.6-163.3-155.829.1000113.9P81 Y274 S277 A278 Y377 I378 H381 V382 L406P81-W304 HydrophobicContact CG-CG 4.43Å; Y274-W304 HydrophobicContact CD2-CB 4.26Å; Y274-W304 HydrophobicContact CD2-CD2 4.32Å; Y274-W304 HydrophobicContact CD2-CE3 4.02Å; Y274-W304 HydrophobicContact CD2-CG 4.47Å; Y274-W304 HydrophobicContact CE1-CE3 4.25Å; Y274-W304 HydrophobicContact CE1-CZ3 4.04Å; Y274-W304 HydrophobicContact CE2-CB 4.17Å; Y274-W304 AromaticContact CE2-CD2 3.51Å; Y274-W304 HydrophobicContact CE2-CD2 3.51Å; Y274-W304 AromaticContact CE2-CE3 3.37Å; Y274-W304 HydrophobicContact CE2-CE3 3.37Å; Y274-W304 AromaticContact CE2-CG 3.89Å; Y274-W304 HydrophobicContact CE2-CG 3.89Å; Y274-W304 HydrophobicContact CE2-CH2 4.47Å; Y274-W304 AromaticContact CE2-CZ3 3.91Å; Y274-W304 HydrophobicContact CE2-CZ3 3.91Å; Y274-W304 AromaticContact CZ-CD2 3.93Å; Y274-W304 AromaticContact CZ-CE3 3.51Å; Y274-W304 AromaticContact CZ-CH2 3.9Å; Y274-W304 AromaticContact CZ-CZ3 3.5Å; Y274-W304 WeakPolarHBondContact OH-CH2 3.48Å; Y274-W304 WeakPolarHBondContact OH-CZ2 3.09Å; Y274-W304 WeakPolarHBondContact OH-CZ3 3.43Å; S277-W304 WeakPolarHBondContact CB-O 3.32Å; S277-W304 PolarHBondContact OG-O 3.26Å; A278-W304 HydrophobicContact CB-CZ3 4.13Å; W304-Y377 AromaticContact CD1-CE1 3.67Å; W304-Y377 AromaticContact CD1-CZ 3.91Å; W304-I378 HydrophobicContact CH2-CG2 4.1Å; W304-I378 HydrophobicContact CZ2-CG2 4.36Å; W304-I378 HydrophobicContact CZ3-CG2 4.34Å; W304-H381 AromaticContact CD1-ND1 3.92Å; W304-H381 AromaticContact CE2-ND1 3.99Å; W304-H381 HydrophobicContact CZ2-CB 3.46Å; W304-H381 VanDerWaalsContact CZ2-CB 3.46Å; W304-H381 AromaticContact NE1-CE1 3.8Å; W304-H381 AromaticContact NE1-CG 3.43Å; W304-H381 AromaticContact NE1-ND1 3.04Å; W304-H381 PolarHBondContact NE1-ND1 2.72Å; W304-V382 HydrophobicContact CH2-CG2 3.8Å; W304-V382 HydrophobicContact CZ2-CG2 4.3Å; W304-L406 HydrophobicContact CH2-CB 4.06Å; W304-L406 HydrophobicContact CH2-CD2 4.49Å; W304-L406 HydrophobicContact CZ3-CB 4.2Å; W304-L406 HydrophobicContact CZ3-CD1 4.2Å; W304-L406 HydrophobicContact CZ3-CD2 4.48Å
305L98.3Very high98.5Very high0 Ų012.5 Ų12.50%06%0.059CC..SBendtrans-129.824.5178.4-155.864.4000113.7L122 I280 F299 P301 V307 F366 L374 I378L122-L305 HydrophobicContact CD1-CD2 3.92Å; I280-L305 HydrophobicContact CD1-CD1 3.72Å; F299-L305 HydrophobicContact CE2-CD2 4.13Å; F299-L305 HydrophobicContact CZ-CD2 3.97Å; P301-L305 HydrophobicContact CB-CB 4.1Å; P301-L305 HydrophobicContact CB-CD2 4.21Å; P301-L305 HydrophobicContact CG-CD2 4.45Å; P301-L305 CarbonylContact O-C 3.48Å; P301-L305 WeakPolarHBondContact O-CA 3.1Å; P301-L305 WeakPolarHBondContact O-CB 3.42Å; P301-L305 PolarHBondContact O-N 3.32Å; L305-V307 PolarHBondContact O-N 2.98Å; L305-V307 VanDerWaalsContact O-N 3.08Å; L305-F366 HydrophobicContact CD2-CE1 3.87Å; L305-F366 HydrophobicContact CD2-CZ 4.17Å; L305-F366 HydrophobicContact CG-CE1 4.4Å; L305-L374 HydrophobicContact CD1-CB 4.33Å; L305-L374 HydrophobicContact CD1-CD1 4.33Å; L305-L374 HydrophobicContact CD1-CD2 4.47Å; L305-I378 HydrophobicContact CD1-CD1 4.38Å
306L98.4Very high98.4Very high2 Ų211.3 Ų11.31%0.015%0.052CC..SBendtrans59.717.3174.5-57.5-177.9000116.3S85 V365 Y369 L374 Y377 R453S85-L306 WeakPolarHBondContact CB-O 3.36Å; S85-L306 PolarHBondContact OG-O 2.72Å; L306-V365 HydrophobicContact CB-CG1 4.28Å; L306-V365 WeakPolarHBondContact O-CG2 3.42Å; L306-Y369 HydrophobicContact CB-CE2 4.4Å; L306-Y369 HydrophobicContact CD1-CD1 4.18Å; L306-Y369 HydrophobicContact CD1-CD2 4.43Å; L306-Y369 HydrophobicContact CD1-CE1 3.77Å; L306-Y369 HydrophobicContact CD1-CE2 4.03Å; L306-Y369 HydrophobicContact CD1-CG 4.49Å; L306-L374 HydrophobicContact CB-CD2 4.44Å; L306-L374 HydrophobicContact CD1-CD2 4.17Å; L306-Y377 HydrophobicContact CD1-CD1 4.16Å; L306-Y377 HydrophobicContact CD1-CD2 4.24Å; L306-Y377 HydrophobicContact CD1-CG 4Å; L306-Y377 HydrophobicContact CD2-CD1 4.24Å; L306-Y377 HydrophobicContact CD2-CD2 4.19Å; L306-Y377 HydrophobicContact CD2-CE1 3.8Å; L306-Y377 HydrophobicContact CD2-CE2 3.73Å; L306-Y377 HydrophobicContact CD2-CG 4.42Å; L306-Y377 HydrophobicContact CG-CD1 3.96Å; L306-Y377 HydrophobicContact CG-CD2 4.48Å; L306-Y377 HydrophobicContact CG-CE1 3.91Å; L306-Y377 HydrophobicContact CG-CE2 4.43Å; L306-Y377 HydrophobicContact CG-CG 4.26Å; L306-R453 HydrophobicContact CD2-CB 4.29Å; L306-R453 HydrophobicContact CD2-CG 4.05Å
307V98.6Very high98.3Very high0 Ų014 Ų140%06%0.064CC..PPolyproline II helixtrans-98.5126.2172.3-177.20000109.2P301 H302 L305 C311 K361 M362 V365P301-V307 HydrophobicContact CB-CB 4.03Å; P301-V307 HydrophobicContact CB-CG2 4.01Å; H302-V307 WeakPolarHBondContact CA-O 3.46Å; H302-V307 WeakPolarHBondContact CB-O 3.45Å; L305-V307 PolarHBondContact O-N 2.98Å; L305-V307 VanDerWaalsContact O-N 3.08Å; V307-C311 HydrophobicContact CG1-CB 3.76Å; V307-K361 HydrophobicContact CG1-CB 4.42Å; V307-K361 HydrophobicContact CG1-CD 3.62Å; V307-K361 HydrophobicContact CG1-CG 3.77Å; V307-M362 HydrophobicContact CG1-CG 4.18Å; V307-M362 HydrophobicContact CG2-CG 4.2Å; V307-V365 HydrophobicContact CG2-CB 4.1Å; V307-V365 HydrophobicContact CG2-CG1 4.06Å; V307-V365 HydrophobicContact CG2-CG2 4.08Å
308N96Very high98.1Very high22 Ų2217.6 Ų17.612%0.1188%0.08CC..PPolyproline II helixtrans-62.1153.6-177-60.33.8000112.7A83 S84 S85 A88 M89 K361A83-N308 WeakPolarHBondContact O-CA 3.13Å; S84-N308 WeakPolarHBondContact CA-OD1 3.42Å; S85-N308 PolarHBondContact N-OD1 3.12Å; S85-N308 VanDerWaalsContact N-OD1 3.14Å; A88-N308 HydrophobicContact CB-CB 4.26Å; A88-N308 WeakPolarHBondContact CB-OD1 3.37Å; M89-N308 VanDerWaalsContact CG-ND2 3.26Å; M89-N308 WeakPolarHBondContact CG-ND2 3.27Å; N308-K361 PolarHBondContact O-NZ 3.35Å
309F97.4Very high97.9Very high129 Ų12921.5 Ų21.557%0.5669%0.094SC*.SBendtrans-62.6143171.4-175.8-87.9000112H302H302-F309 HydrophobicContact CB-CB 4.26Å; H302-F309 HydrophobicContact CB-CD2 4.47Å; H302-F309 AromaticContact CD2-CD2 3.7Å; H302-F309 AromaticContact CE1-CD2 3.95Å; H302-F309 AromaticContact CG-CD2 3.81Å; H302-F309 AromaticContact ND1-CD2 3.97Å; H302-F309 AromaticContact NE2-CD2 3.83Å
310D97.7Very high97.6Very high28 Ų2824 Ų2415%0.1511%0.112CC..SBendcis-85.8144.8-961.7-51.6000113G146 R356 R358 K361G146-D310 WeakPolarHBondContact O-CB 3.32Å; D310-R356 PolarHBondContact O-NH2 3.02Å; D310-R356 IonicContact OD1-CZ 2.73Å; D310-R356 IonicContact OD1-NE 3.68Å; D310-R356 PolarHBondContact OD1-NE 3.35Å; D310-R356 IonicContact OD1-NH2 3.41Å; D310-R356 PolarHBondContact OD1-NH2 3.31Å; D310-R356 IonicContact OD2-NE 3.96Å; D310-R358 IonicContact OD2-CZ 3.07Å; D310-R358 VanDerWaalsContact OD2-CZ 3.3Å; D310-R358 IonicContact OD2-NE 3.18Å; D310-R358 PolarHBondContact OD2-NE 3.24Å; D310-R358 IonicContact OD2-NH2 2.72Å; D310-R358 PolarHBondContact OD2-NH2 3.4Å; D310-K361 WeakPolarHBondContact O-CE 3.16Å; D310-K361 PolarHBondContact O-NZ 2.85Å
311C98.6Very high97.5Very high0 Ų025 Ų250%012%0.117CC..  trans-171.890.8173.3-174.20000110.3P301 H302 V307P301-C311 VanDerWaalsContact CD-O 3.32Å; P301-C311 WeakPolarHBondContact CD-O 3.35Å; H302-C311 HydrophobicContact CB-CB 4.24Å; H302-C311 PolarHBondContact N-O 2.98Å; H302-C311 PolarHBondContact ND1-N 2.78Å; H302-C311 PolarHBondContact ND1-O 3.26Å; V307-C311 HydrophobicContact CG1-CB 3.76Å
312S98.7Very high97.4Very high0 Ų025 Ų250%012%0.117CC..EExtended strand (participates in β ladder)trans-111.9122.2176.1-174.20000109.2I144 Q145 S147 A148 N300I144-S312 CarbonylContact C-O 3.4Å; I144-S312 VanDerWaalsContact CA-O 3.29Å; I144-S312 WeakPolarHBondContact CA-O 3.43Å; Q145-S312 PolarHBondContact N-O 2.75Å; Q145-S312 PolarHBondContact O-N 3.41Å; S147-S312 VanDerWaalsContact C-CB 3.42Å; S147-S312 VanDerWaalsContact C-OG 3.3Å; S147-S312 PolarHBondContact O-OG 3.43Å; A148-S312 PolarHBondContact N-OG 3.47Å; N300-S312 VanDerWaalsContact OD1-CB 3.27Å; N300-S312 WeakPolarHBondContact OD1-CB 3.29Å; N300-S312 PolarHBondContact OD1-OG 3.3Å
313A98.9Very high97.2Very high0 Ų026.3 Ų26.30%013%0.126CC..EExtended strand (participates in β ladder)trans-93.2123-17600000108.7M119 L122 N298 F299 P301 W315M119-A313 HydrophobicContact CE-CB 3.83Å; M119-A313 HydrophobicContact SD-CB 4.1Å; L122-A313 HydrophobicContact CD2-CB 3.92Å; N298-A313 CarbonylContact C-O 3.57Å; N298-A313 WeakPolarHBondContact CA-O 3.5Å; N298-A313 WeakPolarHBondContact CB-O 3.23Å; F299-A313 HydrophobicContact CD1-CB 4.38Å; F299-A313 HydrophobicContact CE1-CB 4.17Å; F299-A313 PolarHBondContact N-O 3.08Å; F299-A313 PolarHBondContact O-N 3.03Å; P301-A313 HydrophobicContact CG-CB 4.04Å; A313-W315 HydrophobicContact CB-CE3 4.46Å; A313-W315 HydrophobicContact CB-CH2 3.46Å; A313-W315 VanDerWaalsContact CB-CH2 3.46Å; A313-W315 HydrophobicContact CB-CZ2 4.42Å; A313-W315 HydrophobicContact CB-CZ3 3.48Å; A313-W315 VanDerWaalsContact CB-CZ3 3.48Å
314M98.8Very high96.9Very high1 Ų126.6 Ų26.61%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-123.8133.8177.9179.1-175.9-179.300109.6M119 G142 V143 Q145 A151 V154 A155 F297 N298 V316 L322M119-M314 WeakPolarHBondContact CE-O 3.39Å; G142-M314 CarbonylContact C-O 3.51Å; G142-M314 WeakPolarHBondContact CA-O 3.44Å; V143-M314 HydrophobicContact CG1-CB 4.24Å; V143-M314 PolarHBondContact N-O 2.85Å; V143-M314 PolarHBondContact O-N 2.68Å; Q145-M314 HydrophobicContact CG-CB 4.05Å; Q145-M314 HydrophobicContact CG-SD 4.23Å; A151-M314 HydrophobicContact CB-CB 4.02Å; A151-M314 HydrophobicContact CB-CG 4.09Å; A151-M314 HydrophobicContact CB-SD 3.78Å; A151-M314 WeakPolarHBondContact O-CE 3.41Å; V154-M314 HydrophobicContact CB-CE 4.34Å; V154-M314 HydrophobicContact CB-SD 4.26Å; V154-M314 HydrophobicContact CG1-CE 3.91Å; V154-M314 HydrophobicContact CG1-SD 3.99Å; A155-M314 HydrophobicContact CB-CE 3.85Å; F297-M314 CarbonylContact O-C 3.59Å; F297-M314 WeakPolarHBondContact O-CA 3.49Å; N298-M314 HydrophobicContact CB-CB 4.37Å; M314-V316 HydrophobicContact CE-CG1 3.87Å; M314-L322 HydrophobicContact CE-CD2 4.48Å
315W98.8Very high96.7Very high0 Ų027.9 Ų27.90%015%0.15CC..EExtended strand (participates in β ladder)trans-116.8149.6170.8-66.3-98.9000110.9M119 L122 L126 L128 F132 G141 S296 F297 F299 A313M119-W315 HydrophobicContact CE-CD2 3.77Å; M119-W315 VanDerWaalsContact CE-CE2 3.4Å; M119-W315 HydrophobicContact CE-CE3 4.07Å; M119-W315 HydrophobicContact CE-CG 4.4Å; M119-W315 HydrophobicContact CE-CH2 3.76Å; M119-W315 HydrophobicContact CE-CZ2 3.42Å; M119-W315 VanDerWaalsContact CE-CZ2 3.42Å; M119-W315 HydrophobicContact CE-CZ3 4.08Å; M119-W315 WeakPolarHBondContact O-CZ2 3.39Å; M119-W315 PolarHBondContact O-NE1 2.89Å; M119-W315 HydrophobicContact SD-CZ2 4.29Å; L122-W315 HydrophobicContact CB-CH2 4.28Å; L122-W315 HydrophobicContact CB-CZ2 4Å; L122-W315 HydrophobicContact CD2-CH2 3.61Å; L122-W315 HydrophobicContact CD2-CZ2 4.11Å; L122-W315 HydrophobicContact CG-CH2 3.69Å; L122-W315 HydrophobicContact CG-CZ2 3.92Å; L126-W315 HydrophobicContact CD1-CH2 4.04Å; L126-W315 HydrophobicContact CD1-CZ3 4.35Å; L128-W315 HydrophobicContact CD1-CD2 3.67Å; L128-W315 HydrophobicContact CD1-CE3 3.93Å; L128-W315 HydrophobicContact CD1-CG 4.01Å; L128-W315 HydrophobicContact CD1-CZ2 4.35Å; L128-W315 HydrophobicContact CD1-CZ3 4.36Å; F132-W315 HydrophobicContact CB-CB 4.01Å; F132-W315 HydrophobicContact CB-CG 4.25Å; F132-W315 HydrophobicContact CD1-CB 3.55Å; F132-W315 HydrophobicContact CE1-CB 4.28Å; F132-W315 HydrophobicContact CG-CB 4.02Å; G141-W315 WeakPolarHBondContact O-CA 3.49Å; S296-W315 CarbonylContact C-O 3.59Å; S296-W315 WeakPolarHBondContact CA-O 3.41Å; S296-W315 WeakPolarHBondContact CB-O 3.48Å; F297-W315 AromaticContact CD1-CE3 3.71Å; F297-W315 HydrophobicContact CD1-CE3 3.71Å; F297-W315 HydrophobicContact CD1-CZ3 4Å; F297-W315 HydrophobicContact CE1-CE3 4.26Å; F297-W315 HydrophobicContact CE1-CZ3 4.09Å; F297-W315 PolarHBondContact N-O 2.97Å; F297-W315 PolarHBondContact O-N 2.92Å; F299-W315 HydrophobicContact CD1-CH2 4.23Å; F299-W315 AromaticContact CD1-CZ3 3.88Å; F299-W315 HydrophobicContact CD1-CZ3 3.88Å; F299-W315 AromaticContact CE1-CH2 3.78Å; F299-W315 HydrophobicContact CE1-CH2 3.78Å; F299-W315 AromaticContact CE1-CZ3 3.92Å; F299-W315 HydrophobicContact CE1-CZ3 3.92Å; A313-W315 HydrophobicContact CB-CE3 4.46Å; A313-W315 HydrophobicContact CB-CH2 3.46Å; A313-W315 VanDerWaalsContact CB-CH2 3.46Å; A313-W315 HydrophobicContact CB-CZ2 4.42Å; A313-W315 HydrophobicContact CB-CZ3 3.48Å; A313-W315 VanDerWaalsContact CB-CZ3 3.48Å
316V98.3Very high96.6Very high1 Ų129.6 Ų29.61%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-127.5141.1170.4-66.80000109.9F132 G140 G141 D295 M314 K318 R319 L322 W349F132-V316 VanDerWaalsContact CD1-C 3.4Å; G140-V316 CarbonylContact C-O 3.55Å; G140-V316 WeakPolarHBondContact CA-O 3.28Å; G141-V316 PolarHBondContact N-O 3.33Å; G141-V316 VanDerWaalsContact N-O 3.1Å; G141-V316 PolarHBondContact O-N 3.32Å; D295-V316 CarbonylContact O-C 3.24Å; D295-V316 WeakPolarHBondContact O-CA 3.28Å; M314-V316 HydrophobicContact CE-CG1 3.87Å; V316-K318 VanDerWaalsContact C-N 3.25Å; V316-K318 PolarHBondContact O-N 3.41Å; V316-R319 HydrophobicContact CG2-CB 4.46Å; V316-L322 HydrophobicContact CB-CD1 4.39Å; V316-L322 HydrophobicContact CB-CG 4.46Å; V316-L322 HydrophobicContact CG1-CD1 3.72Å; V316-L322 HydrophobicContact CG1-CD2 4.03Å; V316-L322 HydrophobicContact CG1-CG 3.84Å; V316-L322 HydrophobicContact CG2-CD1 3.79Å; V316-L322 HydrophobicContact CG2-CG 4.08Å; V316-W349 HydrophobicContact CG2-CE3 4.31Å; V316-W349 HydrophobicContact CG2-CZ3 3.89Å
317K96.3Very high96.3Very high55 Ų5536.6 Ų36.624%0.23918%0.184CC..SBendtrans-69.3-29.1177.5-177.5179.2-84.7158.90111.2A131 F132 E139 G140 E292 A294 D295A131-K317 HydrophobicContact CB-CG 3.92Å; F132-K317 HydrophobicContact CD1-CB 4.39Å; F132-K317 HydrophobicContact CE1-CB 3.95Å; F132-K317 VanDerWaalsContact CE1-N 3.35Å; F132-K317 HydrophobicContact CZ-CB 4.37Å; E139-K317 CarbonylContact C-O 3.56Å; G140-K317 VanDerWaalsContact CA-O 3.26Å; G140-K317 WeakPolarHBondContact CA-O 3.42Å; G140-K317 PolarHBondContact N-O 3.02Å; E292-K317 PolarHBondContact O-NZ 3.02Å; A294-K317 WeakPolarHBondContact O-CE 3.27Å; A294-K317 PolarHBondContact O-NZ 2.67Å; D295-K317 PolarHBondContact O-N 3.43Å
318K95.4Very high95.6Very high77 Ų7743 Ų4334%0.33522%0.218SC..  trans-138.5105.1179.8-174.8165.4-172.7145.90111.5E139 V316 S320 D321E139-K318 HydrophobicContact CB-CG 4.32Å; E139-K318 CarbonylContact O-C 3.56Å; E139-K318 WeakPolarHBondContact O-CA 3.49Å; E139-K318 WeakPolarHBondContact OE2-CD 3.29Å; E139-K318 WeakPolarHBondContact OE2-CE 3.46Å; E139-K318 IonicContact OE2-NZ 3.73Å; E139-K318 PolarHBondContact OE2-NZ 3.49Å; V316-K318 VanDerWaalsContact C-N 3.25Å; V316-K318 PolarHBondContact O-N 3.41Å; K318-S320 WeakPolarHBondContact CE-OG 3.37Å; K318-S320 VanDerWaalsContact CG-OG 3.24Å; K318-S320 WeakPolarHBondContact CG-OG 3.28Å; K318-S320 PolarHBondContact O-N 3.35Å; K318-D321 WeakPolarHBondContact O-CB 3.39Å; K318-D321 PolarHBondContact O-N 3.28Å; K318-D321 VanDerWaalsContact O-N 3.13Å
319R93.4Very high95.1Very high82 Ų8244 Ų4431%0.30922%0.223SC..Hα-helixtrans-63.6-27.8-178.371.6-158.1173.9158.6-2.7114.2E139 V316 D321 L322 T323 W349E139-R319 WeakPolarHBondContact O-CB 3.49Å; E139-R319 WeakPolarHBondContact O-CD 3.44Å; E139-R319 WeakPolarHBondContact O-CG 3.41Å; E139-R319 PolarHBondContact O-N 3.45Å; V316-R319 HydrophobicContact CG2-CB 4.46Å; R319-D321 PolarHBondContact O-N 3.1Å; R319-L322 PolarHBondContact O-N 2.97Å; R319-L322 VanDerWaalsContact O-N 3.12Å; R319-T323 PolarHBondContact O-N 3.19Å; R319-W349 HydrophobicContact CB-CH2 3.3Å; R319-W349 HydrophobicContact CB-CZ2 3.25Å; R319-W349 HydrophobicContact CB-CZ3 4.11Å; R319-W349 HydrophobicContact CG-CH2 4.26Å; R319-W349 HydrophobicContact CG-CZ2 3.94Å
320S93.9Very high94.8Very high53 Ų5340 Ų4037%0.37121%0.21SC..Hα-helixtrans-66.4-19.4176.648.10000113.3K318 T323 G324K318-S320 WeakPolarHBondContact CE-OG 3.37Å; K318-S320 VanDerWaalsContact CG-OG 3.24Å; K318-S320 WeakPolarHBondContact CG-OG 3.28Å; K318-S320 PolarHBondContact O-N 3.35Å; S320-T323 WeakPolarHBondContact CA-OG1 3.35Å; S320-T323 PolarHBondContact O-OG1 2.79Å; S320-G324 WeakPolarHBondContact O-CA 3.33Å; S320-G324 PolarHBondContact O-N 2.93Å
321D95.9Very high94.5Very high25 Ų2544.3 Ų44.313%0.13424%0.237CC..Hα-helixtrans-71.9-36172.5-66.5-16.7000111.4K162 W267 K318 R319 A325K162-D321 WeakPolarHBondContact CE-OD2 3.27Å; K162-D321 IonicContact NZ-OD1 2.97Å; K162-D321 IonicContact NZ-OD2 2.72Å; K162-D321 PolarHBondContact NZ-OD2 3.1Å; W267-D321 HydrophobicContact CH2-CB 3.78Å; W267-D321 HydrophobicContact CZ3-CB 3.62Å; W267-D321 WeakPolarHBondContact CZ3-OD2 3.39Å; K318-D321 WeakPolarHBondContact O-CB 3.39Å; K318-D321 PolarHBondContact O-N 3.28Å; K318-D321 VanDerWaalsContact O-N 3.13Å; R319-D321 PolarHBondContact O-N 3.1Å; D321-A325 PolarHBondContact O-N 2.95Å
322L96.4Very high94.1Very high0 Ų053 Ų530%027%0.272CS..Hα-helixtrans-70.6-50.8171.9-65.2-171.4000111V154 A158 M314 V316 R319 G324 A325 F326 H348 W349V154-L322 HydrophobicContact CG1-CD2 3.67Å; A158-L322 HydrophobicContact CB-CD2 3.7Å; M314-L322 HydrophobicContact CE-CD2 4.48Å; V316-L322 HydrophobicContact CB-CD1 4.39Å; V316-L322 HydrophobicContact CB-CG 4.46Å; V316-L322 HydrophobicContact CG1-CD1 3.72Å; V316-L322 HydrophobicContact CG1-CD2 4.03Å; V316-L322 HydrophobicContact CG1-CG 3.84Å; V316-L322 HydrophobicContact CG2-CD1 3.79Å; V316-L322 HydrophobicContact CG2-CG 4.08Å; R319-L322 PolarHBondContact O-N 2.97Å; R319-L322 VanDerWaalsContact O-N 3.12Å; L322-G324 VanDerWaalsContact C-N 3.26Å; L322-G324 PolarHBondContact O-N 3.15Å; L322-A325 PolarHBondContact O-N 2.98Å; L322-F326 HydrophobicContact CD2-CE2 4.43Å; L322-F326 VanDerWaalsContact O-CD2 3.24Å; L322-F326 WeakPolarHBondContact O-CD2 3.35Å; L322-F326 PolarHBondContact O-N 3.4Å; L322-H348 CarbonylContact C-O 3.59Å; L322-W349 HydrophobicContact CD1-CB 4.01Å; L322-W349 HydrophobicContact CD1-CD2 3.97Å; L322-W349 HydrophobicContact CD1-CE3 3.68Å; L322-W349 HydrophobicContact CD1-CG 4.12Å
323T93.9Very high93.8Very high39 Ų3953.7 Ų53.724%0.23928%0.275CS..Hα-helixtrans-63.4-35.7-178.665.10000111.4R319 S320 A325 F326 R327 H348R319-T323 PolarHBondContact O-N 3.19Å; S320-T323 WeakPolarHBondContact CA-OG1 3.35Å; S320-T323 PolarHBondContact O-OG1 2.79Å; T323-A325 PolarHBondContact O-N 3.24Å; T323-F326 PolarHBondContact O-N 2.67Å; T323-R327 WeakPolarHBondContact O-CB 3.49Å; T323-R327 PolarHBondContact O-N 2.86Å; T323-H348 HydrophobicContact CG2-CB 3.85Å
324G92.8Very high93.4Very high44 Ų4459.1 Ų59.145%0.45430%0.299SS..Hα-helixtrans-60.3-23.7173.200000114.2S320 L322S320-G324 WeakPolarHBondContact O-CA 3.33Å; S320-G324 PolarHBondContact O-N 2.93Å; L322-G324 VanDerWaalsContact C-N 3.26Å; L322-G324 PolarHBondContact O-N 3.15Å
325A95.3Very high92.9Very high27 Ų2760.4 Ų60.422%0.22331%0.305CS..Hα-helixtrans-93.7-31.3177.900000114.2A158 T161 D321 L322 T323A158-A325 HydrophobicContact CB-CB 4.29Å; T161-A325 HydrophobicContact CG2-CB 4.3Å; D321-A325 PolarHBondContact O-N 2.95Å; L322-A325 PolarHBondContact O-N 2.98Å; T323-A325 PolarHBondContact O-N 3.24Å
326F95.5Very high92.4Very high37 Ų3765.7 Ų65.716%0.16234%0.342CS..Hα-helixtrans-120.91.7-169.2-58.7-71.1000114.8V154 L157 L322 T323 L328V154-F326 HydrophobicContact CB-CZ 4.49Å; V154-F326 HydrophobicContact CG1-CE2 3.85Å; V154-F326 HydrophobicContact CG1-CZ 4.26Å; V154-F326 HydrophobicContact CG2-CZ 4.4Å; L157-F326 HydrophobicContact CB-CE1 4.32Å; L157-F326 HydrophobicContact CB-CZ 3.79Å; L157-F326 HydrophobicContact CD1-CE1 3.96Å; L157-F326 HydrophobicContact CD1-CZ 4.01Å; L322-F326 HydrophobicContact CD2-CE2 4.43Å; L322-F326 VanDerWaalsContact O-CD2 3.24Å; L322-F326 WeakPolarHBondContact O-CD2 3.35Å; L322-F326 PolarHBondContact O-N 3.4Å; T323-F326 PolarHBondContact O-N 2.67Å; F326-L328 PolarHBondContact O-N 3.25Å; F326-L328 VanDerWaalsContact O-N 3.17Å
327R91.2Very high91.8Very high148 Ų14869.6 Ų69.656%0.55836%0.36SS*.  trans-65119.1-177.8-175.6173.2-173.8170.95.7111.9T323 D329T323-R327 WeakPolarHBondContact O-CB 3.49Å; T323-R327 PolarHBondContact O-N 2.86Å; R327-D329 IonicContact CZ-OD2 3.77Å; R327-D329 VanDerWaalsContact CZ-OD2 3.29Å; R327-D329 IonicContact NE-OD2 3.28Å; R327-D329 PolarHBondContact NE-OD2 3Å; R327-D329 IonicContact NH2-OD2 3.97Å; R327-D329 PolarHBondContact NH2-OD2 3.22Å
328L83.8Confident91Very high135 Ų13569.2 Ų69.271%0.70736%0.359SS*.  trans-138.6117.4171.8-69.3173.2000108.6F326 P330 H348F326-L328 PolarHBondContact O-N 3.25Å; F326-L328 VanDerWaalsContact O-N 3.17Å; L328-P330 VanDerWaalsContact C-CD 3.41Å; L328-P330 WeakPolarHBondContact O-CD 3.49Å; L328-H348 PolarHBondContact O-CE1 3.35Å
329D86.5Confident90.2Very high44 Ų4471.3 Ų71.324%0.23537%0.374CS..  trans-123.563.3-172.9-71.5-32.1000113.2R327 K334 R347 H348R327-D329 IonicContact CZ-OD2 3.77Å; R327-D329 VanDerWaalsContact CZ-OD2 3.29Å; R327-D329 IonicContact NE-OD2 3.28Å; R327-D329 PolarHBondContact NE-OD2 3Å; R327-D329 IonicContact NH2-OD2 3.97Å; R327-D329 PolarHBondContact NH2-OD2 3.22Å; D329-K334 WeakPolarHBondContact O-CE 3.49Å; D329-R347 IonicContact OD1-CZ 3.69Å; D329-R347 IonicContact OD1-NH2 2.89Å; D329-R347 PolarHBondContact OD1-NH2 3.27Å; D329-H348 IonicContact OD1-CE1 3.25Å; D329-H348 PolarHBondContact OD1-CE1 3.42Å; D329-H348 VanDerWaalsContact OD1-CE1 3.25Å; D329-H348 IonicContact OD1-NE2 3.31Å; D329-H348 PolarHBondContact OD1-NE2 3.16Å
330P90.6Very high89.5Confident43 Ų4369.8 Ų69.828%0.27938%0.376SS..  trans-62.4150170.730.6-35.7000110.5L328 Y332 L333L328-P330 VanDerWaalsContact C-CD 3.41Å; L328-P330 WeakPolarHBondContact O-CD 3.49Å; P330-Y332 HydrophobicContact CB-CD1 3.92Å; P330-Y332 HydrophobicContact CB-CE1 3.44Å; P330-Y332 VanDerWaalsContact CB-CE1 3.44Å; P330-Y332 HydrophobicContact CG-CD1 4.34Å; P330-Y332 HydrophobicContact CG-CE1 3.73Å; P330-Y332 HydrophobicContact CG-CE2 3.95Å; P330-Y332 VanDerWaalsContact CG-CZ 3.49Å; P330-Y332 PolarHBondContact O-N 3.44Å; P330-L333 HydrophobicContact CG-CB 4.2Å; P330-L333 HydrophobicContact CG-CD1 3.67Å; P330-L333 HydrophobicContact CG-CG 3.84Å; P330-L333 PolarHBondContact O-N 2.79Å
331T92.6Very high88.7Confident119 Ų11970 Ų7073%0.7339%0.386SS*.G310 helixtrans-53.7-34.8-171.7-55.30000113.9L333 K334T331-L333 PolarHBondContact O-N 3.36Å; T331-K334 PolarHBondContact O-N 2.62Å
332Y89.8Confident87.7Confident184 Ų18476.1 Ų76.172%0.72242%0.418SS*.G310 helixtrans-73.3-8.2-179.561.8-98.7000114.6P330P330-Y332 HydrophobicContact CB-CD1 3.92Å; P330-Y332 HydrophobicContact CB-CE1 3.44Å; P330-Y332 VanDerWaalsContact CB-CE1 3.44Å; P330-Y332 HydrophobicContact CG-CD1 4.34Å; P330-Y332 HydrophobicContact CG-CE1 3.73Å; P330-Y332 HydrophobicContact CG-CE2 3.95Å; P330-Y332 VanDerWaalsContact CG-CZ 3.49Å; P330-Y332 PolarHBondContact O-N 3.44Å
333L91.6Very high87Confident14 Ų1477.5 Ų77.57%0.07343%0.425CS..G310 helixtrans-103.8-3176.3-67.9-173.6000113.3F103 P330 T331 R347 L353F103-L333 HydrophobicContact CD2-CD2 4.03Å; F103-L333 HydrophobicContact CE2-CD2 3.69Å; F103-L333 HydrophobicContact CZ-CD2 4.3Å; P330-L333 HydrophobicContact CG-CB 4.2Å; P330-L333 HydrophobicContact CG-CD1 3.67Å; P330-L333 HydrophobicContact CG-CG 3.84Å; P330-L333 PolarHBondContact O-N 2.79Å; T331-L333 PolarHBondContact O-N 3.36Å; L333-R347 PolarHBondContact O-NH1 3.08Å; L333-L353 HydrophobicContact CD1-CD1 3.67Å; L333-L353 HydrophobicContact CD1-CD2 4.32Å; L333-L353 HydrophobicContact CD2-CD1 4.4Å; L333-L353 HydrophobicContact CD2-CD2 4.38Å
334K89.9Confident86.6Confident113 Ų11376.3 Ų76.349%0.49142%0.417SS..  trans-77.2149.3-178.1-66.1-173.1177.2-178.20111.9D329 T331 Q338D329-K334 WeakPolarHBondContact O-CE 3.49Å; T331-K334 PolarHBondContact O-N 2.62Å; K334-Q338 VanDerWaalsContact CB-OE1 3.26Å
335H89.4Confident86.5Confident28 Ų2874.9 Ų74.913%0.1340%0.4CS..  trans-150.5162.517459.478.4000111.9A106 H337 Q338 D345A106-H335 HydrophobicContact CB-CB 3.76Å; H335-H337 PolarHBondContact ND1-N 3.05Å; H335-H337 PolarHBondContact O-N 3.15Å; H335-H337 VanDerWaalsContact O-N 3.13Å; H335-Q338 PolarHBondContact CE1-N 2.97Å; H335-Q338 PolarHBondContact ND1-N 3.44Å; H335-Q338 WeakPolarHBondContact O-CB 3.34Å; H335-Q338 VanDerWaalsContact O-CG 3.29Å; H335-Q338 WeakPolarHBondContact O-CG 3.45Å; H335-Q338 PolarHBondContact O-N 3.38Å; H335-D345 IonicContact CE1-OD1 2.61Å; H335-D345 IonicContact CE1-OD2 3.06Å; H335-D345 IonicContact NE2-OD1 2.67Å; H335-D345 PolarHBondContact NE2-OD1 3.32Å; H335-D345 IonicContact NE2-OD2 3.43Å; H335-D345 PolarHBondContact NE2-OD2 2.9Å
336S88.8Confident86.5Confident111 Ų11173.7 Ų73.778%0.77639%0.389SS*.THydrogen-bonded Turntrans-58-28.2-174.350.70000114.8
337H85Confident86.4Confident83 Ų8372.5 Ų72.538%0.38438%0.384SS..THydrogen-bonded Turntrans-90.3-4.9-177.8-61.4-75.9000115.5W105 H335 D339 S340 I343W105-H337 HydrophobicContact CE3-CB 4.44Å; W105-H337 AromaticContact CZ3-CD2 3.49Å; W105-H337 VanDerWaalsContact CZ3-CD2 3.49Å; W105-H337 WeakPolarHBondContact CZ3-CD2 3.38Å; H335-H337 PolarHBondContact ND1-N 3.05Å; H335-H337 PolarHBondContact O-N 3.15Å; H335-H337 VanDerWaalsContact O-N 3.13Å; H337-D339 VanDerWaalsContact C-N 3.27Å; H337-D339 PolarHBondContact O-N 3.3Å; H337-S340 VanDerWaalsContact O-CB 3.28Å; H337-S340 WeakPolarHBondContact O-CB 3.47Å; H337-S340 PolarHBondContact O-N 2.93Å; H337-S340 VanDerWaalsContact O-N 3.13Å; H337-S340 PolarHBondContact O-OG 3.23Å; H337-I343 HydrophobicContact CB-CG1 4.33Å; H337-I343 WeakPolarHBondContact O-CG1 3.36Å
338Q79.5Confident86.6Confident48 Ų4866.2 Ų66.222%0.22436%0.36CS..THydrogen-bonded Turntrans-63-32.4-169.375.4-171.31600113.3K334 H335K334-Q338 VanDerWaalsContact CB-OE1 3.26Å; H335-Q338 PolarHBondContact CE1-N 2.97Å; H335-Q338 PolarHBondContact ND1-N 3.44Å; H335-Q338 WeakPolarHBondContact O-CB 3.34Å; H335-Q338 VanDerWaalsContact O-CG 3.29Å; H335-Q338 WeakPolarHBondContact O-CG 3.45Å; H335-Q338 PolarHBondContact O-N 3.38Å
339D78.8Confident87.2Confident121 Ų12160.2 Ų60.265%0.64733%0.328SS*.THydrogen-bonded Turntrans-99.78.8-177.5-60.4-53.8000112.2H337 G341H337-D339 VanDerWaalsContact C-N 3.27Å; H337-D339 PolarHBondContact O-N 3.3Å; D339-G341 VanDerWaalsContact C-N 3.26Å; D339-G341 PolarHBondContact O-N 3.45Å
340S78.9Confident87.7Confident50 Ų5058.2 Ų58.235%0.3532%0.318SS..SBendtrans-70.2-21.7-179.565.80000113.4H337 L342H337-S340 VanDerWaalsContact O-CB 3.28Å; H337-S340 WeakPolarHBondContact O-CB 3.47Å; H337-S340 PolarHBondContact O-N 2.93Å; H337-S340 VanDerWaalsContact O-N 3.13Å; H337-S340 PolarHBondContact O-OG 3.23Å; S340-L342 PolarHBondContact O-N 2.96Å; S340-L342 VanDerWaalsContact O-N 3.16Å; S340-L342 PolarHBondContact OG-N 3.03Å
341G75.9Confident88.1Confident56 Ų5660.4 Ų60.458%0.57733%0.326SS*.SBendtrans69.6-1.6-170.900000114.7D339D339-G341 VanDerWaalsContact C-N 3.26Å; D339-G341 PolarHBondContact O-N 3.45Å
342L76.4Confident88.3Confident154 Ų15458 Ų5881%0.80631%0.313SS*.SBendtrans-94.7-15.3-175.5-62.1175.6000113.5S340S340-L342 PolarHBondContact O-N 2.96Å; S340-L342 VanDerWaalsContact O-N 3.16Å; S340-L342 PolarHBondContact OG-N 3.03Å
343I81.6Confident88.6Confident29 Ų2953 Ų5315%0.14930%0.298CS..  trans-120.6156.9-17364.186.7000111.3W105 H337W105-I343 HydrophobicContact CB-CB 4.12Å; W105-I343 HydrophobicContact CB-CD1 4.09Å; W105-I343 HydrophobicContact CB-CG1 4.37Å; W105-I343 HydrophobicContact CB-CG2 4.49Å; W105-I343 HydrophobicContact CD2-CG2 4.17Å; W105-I343 HydrophobicContact CG-CB 4.06Å; W105-I343 HydrophobicContact CG-CG2 3.92Å; H337-I343 HydrophobicContact CB-CG1 4.33Å; H337-I343 WeakPolarHBondContact O-CG1 3.36Å
344T84.3Confident88.8Confident14 Ų1454.2 Ų54.29%0.08631%0.314CS..  trans-112117173.8-60.40000109.9T112 Y346 W349T112-T344 WeakPolarHBondContact CG2-O 3.43Å; T344-Y346 HydrophobicContact CG2-CD1 3.68Å; T344-Y346 HydrophobicContact CG2-CD2 4.35Å; T344-Y346 HydrophobicContact CG2-CE1 3.58Å; T344-Y346 HydrophobicContact CG2-CE2 4.26Å; T344-Y346 HydrophobicContact CG2-CG 4.06Å; T344-Y346 PolarHBondContact O-N 2.84Å; T344-W349 HydrophobicContact CG2-CD2 4.34Å; T344-W349 HydrophobicContact CG2-CH2 4.44Å; T344-W349 HydrophobicContact CG2-CZ2 3.59Å
345D91.3Very high89.1Confident15 Ų1549.1 Ų49.18%0.0829%0.291CS..  trans-87.593.2167.4-75.8-34.2000109.9S104 W105 H335 R347 H348S104-D345 WeakPolarHBondContact CA-OD1 3.5Å; S104-D345 VanDerWaalsContact CB-OD1 3.26Å; S104-D345 WeakPolarHBondContact CB-OD1 3.24Å; W105-D345 PolarHBondContact N-OD1 3.47Å; H335-D345 IonicContact CE1-OD1 2.61Å; H335-D345 IonicContact CE1-OD2 3.06Å; H335-D345 IonicContact NE2-OD1 2.67Å; H335-D345 PolarHBondContact NE2-OD1 3.32Å; H335-D345 IonicContact NE2-OD2 3.43Å; H335-D345 PolarHBondContact NE2-OD2 2.9Å; D345-R347 HydrophobicContact CB-CG 4.31Å; D345-R347 PolarHBondContact O-N 2.88Å; D345-H348 PolarHBondContact O-N 3.41Å
346Y94.9Very high89.4Confident1 Ų151 Ų510%0.00430%0.297CS..G310 helixtrans-61.4-15-174.9-77.1-61.6000114.4T112 E115 T116 G142 V143 T344 H348 W349 Q350T112-Y346 HydrophobicContact CG2-CD2 3.93Å; T112-Y346 HydrophobicContact CG2-CE2 3.79Å; E115-Y346 HydrophobicContact CB-CE2 4.07Å; E115-Y346 HydrophobicContact CG-CE2 4.17Å; T116-Y346 WeakPolarHBondContact CA-OH 3.24Å; T116-Y346 PolarHBondContact N-OH 2.88Å; T116-Y346 PolarHBondContact OG1-OH 3.39Å; G142-Y346 WeakPolarHBondContact O-CE1 3.5Å; G142-Y346 PolarHBondContact O-OH 2.99Å; V143-Y346 HydrophobicContact CB-CD1 3.86Å; V143-Y346 HydrophobicContact CB-CE1 3.87Å; V143-Y346 HydrophobicContact CG2-CD1 3.53Å; V143-Y346 HydrophobicContact CG2-CE1 4.01Å; V143-Y346 HydrophobicContact CG2-CG 4.29Å; T344-Y346 HydrophobicContact CG2-CD1 3.68Å; T344-Y346 HydrophobicContact CG2-CD2 4.35Å; T344-Y346 HydrophobicContact CG2-CE1 3.58Å; T344-Y346 HydrophobicContact CG2-CE2 4.26Å; T344-Y346 HydrophobicContact CG2-CG 4.06Å; T344-Y346 PolarHBondContact O-N 2.84Å; Y346-H348 PolarHBondContact O-N 3.49Å; Y346-H348 VanDerWaalsContact O-N 3.14Å; Y346-W349 HydrophobicContact CD1-CB 4.32Å; Y346-W349 HydrophobicContact CD1-CD2 4.31Å; Y346-W349 HydrophobicContact CD1-CG 4.22Å; Y346-W349 HydrophobicContact CE1-CE3 4.46Å; Y346-W349 PolarHBondContact O-N 2.89Å; Y346-Q350 WeakPolarHBondContact O-CG 3.39Å
347R94.4Very high89.9Confident13 Ų1346.3 Ų46.35%0.04926%0.263CS..G310 helixtrans-55-26.9168.265.4-179.5-170.9-138.410.2113.3F103 D329 L333 D345 W349 L353F103-R347 HydrophobicContact CB-CB 4.43Å; F103-R347 WeakPolarHBondContact O-CB 3.2Å; F103-R347 VanDerWaalsContact O-CG 3.22Å; F103-R347 WeakPolarHBondContact O-CG 3.49Å; F103-R347 PolarHBondContact O-N 2.85Å; D329-R347 IonicContact OD1-CZ 3.69Å; D329-R347 IonicContact OD1-NH2 2.89Å; D329-R347 PolarHBondContact OD1-NH2 3.27Å; L333-R347 PolarHBondContact O-NH1 3.08Å; D345-R347 HydrophobicContact CB-CG 4.31Å; D345-R347 PolarHBondContact O-N 2.88Å; R347-W349 VanDerWaalsContact C-N 3.28Å; R347-L353 HydrophobicContact CB-CD1 4.03Å
348H95.1Very high90.5Very high15 Ų1543.7 Ų43.77%0.06925%0.25CC..G310 helixtrans-87.85.2179.5-56.8-48.8000113.5L322 T323 L328 D329 D345 Y346L322-H348 CarbonylContact C-O 3.59Å; T323-H348 HydrophobicContact CG2-CB 3.85Å; L328-H348 PolarHBondContact O-CE1 3.35Å; D329-H348 IonicContact OD1-CE1 3.25Å; D329-H348 PolarHBondContact OD1-CE1 3.42Å; D329-H348 VanDerWaalsContact OD1-CE1 3.25Å; D329-H348 IonicContact OD1-NE2 3.31Å; D329-H348 PolarHBondContact OD1-NE2 3.16Å; D345-H348 PolarHBondContact O-N 3.41Å; Y346-H348 PolarHBondContact O-N 3.49Å; Y346-H348 VanDerWaalsContact O-N 3.14Å
349W96.9Very high91.4Very high9 Ų941.4 Ų41.43%0.03424%0.239CC..G310 helixtrans-119.98.3-175.6-65.454.2000112V143 Q145 V316 R319 L322 T344 Y346 R347V143-W349 HydrophobicContact CB-CB 4.32Å; V143-W349 HydrophobicContact CB-CE3 4.09Å; V143-W349 HydrophobicContact CG1-CB 4.27Å; V143-W349 HydrophobicContact CG1-CE3 4.11Å; V143-W349 HydrophobicContact CG2-CB 4.16Å; Q145-W349 PolarHBondContact NE2-O 3.09Å; V316-W349 HydrophobicContact CG2-CE3 4.31Å; V316-W349 HydrophobicContact CG2-CZ3 3.89Å; R319-W349 HydrophobicContact CB-CH2 3.3Å; R319-W349 HydrophobicContact CB-CZ2 3.25Å; R319-W349 HydrophobicContact CB-CZ3 4.11Å; R319-W349 HydrophobicContact CG-CH2 4.26Å; R319-W349 HydrophobicContact CG-CZ2 3.94Å; L322-W349 HydrophobicContact CD1-CB 4.01Å; L322-W349 HydrophobicContact CD1-CD2 3.97Å; L322-W349 HydrophobicContact CD1-CE3 3.68Å; L322-W349 HydrophobicContact CD1-CG 4.12Å; T344-W349 HydrophobicContact CG2-CD2 4.34Å; T344-W349 HydrophobicContact CG2-CH2 4.44Å; T344-W349 HydrophobicContact CG2-CZ2 3.59Å; Y346-W349 HydrophobicContact CD1-CB 4.32Å; Y346-W349 HydrophobicContact CD1-CD2 4.31Å; Y346-W349 HydrophobicContact CD1-CG 4.22Å; Y346-W349 HydrophobicContact CE1-CE3 4.46Å; Y346-W349 PolarHBondContact O-N 2.89Å; R347-W349 VanDerWaalsContact C-N 3.28Å
350Q97Very high92.4Very high3 Ų336.1 Ų36.11%0.01421%0.211CC..SBendtrans-151.2170-175.467.3178.138.100110.2Y346 P352 G354 R355Y346-Q350 WeakPolarHBondContact O-CG 3.39Å; Q350-P352 VanDerWaalsContact CG-O 3.32Å; Q350-P352 WeakPolarHBondContact CG-O 3.45Å; Q350-P352 PolarHBondContact NE2-O 3.01Å; Q350-G354 PolarHBondContact NE2-O 3.29Å; Q350-R355 VanDerWaalsContact OE1-CZ 3.3Å
351I97.4Very high93.3Very high88 Ų8833.8 Ų33.845%0.45120%0.195SC..SBendtrans-75-52.8179.5-62.2167.8000112.6L153 V154L153-I351 HydrophobicContact CD2-CD1 3.58Å; L153-I351 HydrophobicContact CG-CD1 4.06Å; V154-I351 HydrophobicContact CG2-CD1 4.24Å; V154-I351 HydrophobicContact CG2-CG1 3.94Å
352P96.9Very high94.4Very high69 Ų6931.1 Ų31.145%0.44817%0.167SC..SBendtrans-79.9160.3-177.831.2-34.4000112.6Q350Q350-P352 VanDerWaalsContact CG-O 3.32Å; Q350-P352 WeakPolarHBondContact CG-O 3.45Å; Q350-P352 PolarHBondContact NE2-O 3.01Å
353L96.2Very high95.5Very high79 Ų7927.5 Ų27.541%0.41414%0.143SC..SBendtrans-71.1-58.1172.2176.864.1000111.6F103 L333 R347F103-L353 HydrophobicContact CB-CD1 3.89Å; F103-L353 HydrophobicContact CB-CG 4.1Å; F103-L353 WeakPolarHBondContact CB-O 3.16Å; F103-L353 HydrophobicContact CD2-CD1 4.44Å; F103-L353 HydrophobicContact CG-CD1 4.25Å; F103-L353 HydrophobicContact CG-CG 4.41Å; L333-L353 HydrophobicContact CD1-CD1 3.67Å; L333-L353 HydrophobicContact CD1-CD2 4.32Å; L333-L353 HydrophobicContact CD2-CD1 4.4Å; L333-L353 HydrophobicContact CD2-CD2 4.38Å; R347-L353 HydrophobicContact CB-CD1 4.03Å
354G95.5Very high96.3Very high39 Ų3928.2 Ų28.240%0.40215%0.145SC..  trans-72.5147-17500000112.8Q350Q350-G354 PolarHBondContact NE2-O 3.29Å
355R97Very high97Very high6 Ų627.6 Ų27.62%0.02314%0.141CC..  trans-148.9143.3172.365.6-166.7-26-76.1-0.5111.9I101 G102 E115 I144 Q350I101-R355 WeakPolarHBondContact CA-O 3.49Å; G102-R355 VanDerWaalsContact C-CG 3.5Å; G102-R355 PolarHBondContact N-O 3.39Å; G102-R355 WeakPolarHBondContact O-CD 3.3Å; G102-R355 WeakPolarHBondContact O-CG 3.14Å; E115-R355 IonicContact OE1-CZ 3.35Å; E115-R355 IonicContact OE1-NH1 2.87Å; E115-R355 PolarHBondContact OE1-NH1 3.49Å; E115-R355 VanDerWaalsContact OE1-NH1 3.07Å; E115-R355 IonicContact OE1-NH2 3.78Å; E115-R355 PolarHBondContact OE1-NH2 2.93Å; E115-R355 IonicContact OE2-CZ 3.73Å; E115-R355 IonicContact OE2-NH1 3.7Å; E115-R355 PolarHBondContact OE2-NH1 2.88Å; E115-R355 IonicContact OE2-NH2 3.67Å; I144-R355 PolarHBondContact O-NH2 3.34Å; Q350-R355 VanDerWaalsContact OE1-CZ 3.3Å
356R96.2Very high97.3Very high67 Ų6727.4 Ų27.425%0.25314%0.139SC..  trans-85.8165.8-179.973.1-169.4-166.3103.7-11.7111.6D92 D310 R358D92-R356 IonicContact OD1-CZ 2.73Å; D92-R356 IonicContact OD1-NH1 2.84Å; D92-R356 PolarHBondContact OD1-NH1 2.88Å; D92-R356 IonicContact OD1-NH2 2.92Å; D310-R356 PolarHBondContact O-NH2 3.02Å; D310-R356 IonicContact OD1-CZ 2.73Å; D310-R356 IonicContact OD1-NE 3.68Å; D310-R356 PolarHBondContact OD1-NE 3.35Å; D310-R356 IonicContact OD1-NH2 3.41Å; D310-R356 PolarHBondContact OD1-NH2 3.31Å; D310-R356 IonicContact OD2-NE 3.96Å; R356-R358 HydrophobicContact CG-CG 3.42Å; R356-R358 VanDerWaalsContact CG-CG 3.42Å; R356-R358 PolarHBondContact O-N 3.35Å
357F98.3Very high97.5Very high14 Ų1435 Ų356%0.06117%0.168CC..  trans-76.859-179.9-159.7-6.8000113.3I98 A110 C111 L114 S359 L360I98-F357 HydrophobicContact CD1-CD2 4.32Å; I98-F357 HydrophobicContact CD1-CE2 4.41Å; A110-F357 HydrophobicContact CB-CE2 4.31Å; A110-F357 HydrophobicContact CB-CZ 4.11Å; A110-F357 WeakPolarHBondContact O-CE1 3.1Å; A110-F357 WeakPolarHBondContact O-CZ 3.41Å; C111-F357 HydrophobicContact CB-CD1 4.19Å; C111-F357 HydrophobicContact CB-CE1 4.48Å; C111-F357 HydrophobicContact CB-CG 4.26Å; L114-F357 HydrophobicContact CB-CE1 3.93Å; L114-F357 HydrophobicContact CB-CZ 4.28Å; L114-F357 HydrophobicContact CD2-CE1 3.61Å; L114-F357 HydrophobicContact CD2-CZ 3.82Å; L114-F357 HydrophobicContact CG-CE1 4.3Å; F357-S359 VanDerWaalsContact C-N 3.31Å; F357-S359 WeakPolarHBondContact CD1-OG 3.4Å; F357-S359 WeakPolarHBondContact CE1-OG 3.35Å; F357-S359 PolarHBondContact O-N 2.87Å; F357-L360 HydrophobicContact CD1-CB 4.13Å; F357-L360 HydrophobicContact CE1-CB 4.31Å; F357-L360 HydrophobicContact CG-CB 4.32Å; F357-L360 WeakPolarHBondContact O-CB 3.42Å; F357-L360 PolarHBondContact O-N 3.23Å
358R98.4Very high97.7Very high27 Ų2740.1 Ų40.110%0.10219%0.194CC..THydrogen-bonded Turntrans-63-31.8-173.5-62.2-177.2179.1111.2-2.6113.9I144 D310 R356 L360 K361I144-R358 HydrophobicContact CB-CB 4.39Å; I144-R358 HydrophobicContact CD1-CB 4.05Å; I144-R358 HydrophobicContact CG2-CB 3.92Å; I144-R358 VanDerWaalsContact CG2-CD 3.45Å; I144-R358 HydrophobicContact CG2-CG 4.34Å; I144-R358 PolarHBondContact O-NH1 3.44Å; I144-R358 VanDerWaalsContact O-NH1 3.14Å; D310-R358 IonicContact OD2-CZ 3.07Å; D310-R358 VanDerWaalsContact OD2-CZ 3.3Å; D310-R358 IonicContact OD2-NE 3.18Å; D310-R358 PolarHBondContact OD2-NE 3.24Å; D310-R358 IonicContact OD2-NH2 2.72Å; D310-R358 PolarHBondContact OD2-NH2 3.4Å; R356-R358 HydrophobicContact CG-CG 3.42Å; R356-R358 VanDerWaalsContact CG-CG 3.42Å; R356-R358 PolarHBondContact O-N 3.35Å; R358-L360 PolarHBondContact O-N 3.19Å; R358-K361 WeakPolarHBondContact O-CG 3.22Å; R358-K361 PolarHBondContact O-N 2.96Å
359S98.6Very high97.9Very high0 Ų042.6 Ų42.60%020%0.203CC..Hα-helixtrans-65.6-20.2-177.655.50000113.3E115 F357 K361 M362 W363E115-S359 VanDerWaalsContact CA-CB 3.41Å; E115-S359 PolarHBondContact N-OG 2.94Å; F357-S359 VanDerWaalsContact C-N 3.31Å; F357-S359 WeakPolarHBondContact CD1-OG 3.4Å; F357-S359 WeakPolarHBondContact CE1-OG 3.35Å; F357-S359 PolarHBondContact O-N 2.87Å; S359-K361 PolarHBondContact O-N 3Å; S359-M362 PolarHBondContact O-N 2.94Å; S359-W363 WeakPolarHBondContact O-CB 3.28Å; S359-W363 PolarHBondContact O-N 2.84Å
360L98.6Very high98Very high11 Ų1143.5 Ų43.56%0.05822%0.215CC..Hα-helixtrans-61.3-42.6179.3-172.761.2000112.6A91 L94 C95 I98 L114 F357 R358 W363 F364A91-L360 HydrophobicContact CB-CG 4.31Å; L94-L360 HydrophobicContact CB-CD2 4.21Å; L94-L360 HydrophobicContact CD2-CD2 4.02Å; L94-L360 HydrophobicContact CG-CD2 3.99Å; C95-L360 HydrophobicContact CB-CD2 4.37Å; I98-L360 HydrophobicContact CD1-CD2 4.34Å; L114-L360 HydrophobicContact CD2-CD1 4.22Å; F357-L360 HydrophobicContact CD1-CB 4.13Å; F357-L360 HydrophobicContact CE1-CB 4.31Å; F357-L360 HydrophobicContact CG-CB 4.32Å; F357-L360 WeakPolarHBondContact O-CB 3.42Å; F357-L360 PolarHBondContact O-N 3.23Å; R358-L360 PolarHBondContact O-N 3.19Å; L360-W363 HydrophobicContact CD1-CE3 4.16Å; L360-W363 WeakPolarHBondContact O-CB 3.47Å; L360-W363 PolarHBondContact O-N 3.13Å; L360-F364 HydrophobicContact CD1-CD2 4.29Å; L360-F364 HydrophobicContact CD1-CE2 3.9Å; L360-F364 HydrophobicContact CG-CE2 4.31Å; L360-F364 VanDerWaalsContact O-CD2 3.32Å; L360-F364 WeakPolarHBondContact O-CD2 3.44Å; L360-F364 PolarHBondContact O-N 3.49Å
361K98.5Very high98.1Very high1 Ų146.3 Ų46.30%0.00423%0.232CC..Hα-helixtrans-72.3-33.7177.156173.2171.5-172.20113.5A88 A91 D92 V307 N308 D310 R358 S359 W363 F364 V365A88-K361 HydrophobicContact CB-CB 4.27Å; A91-K361 HydrophobicContact CB-CB 3.64Å; D92-K361 IonicContact OD1-NZ 3.98Å; D92-K361 WeakPolarHBondContact OD2-CD 3.32Å; D92-K361 IonicContact OD2-NZ 3.79Å; D92-K361 PolarHBondContact OD2-NZ 3Å; V307-K361 HydrophobicContact CG1-CB 4.42Å; V307-K361 HydrophobicContact CG1-CD 3.62Å; V307-K361 HydrophobicContact CG1-CG 3.77Å; N308-K361 PolarHBondContact O-NZ 3.35Å; D310-K361 WeakPolarHBondContact O-CE 3.16Å; D310-K361 PolarHBondContact O-NZ 2.85Å; R358-K361 WeakPolarHBondContact O-CG 3.22Å; R358-K361 PolarHBondContact O-N 2.96Å; S359-K361 PolarHBondContact O-N 3Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-F364 PolarHBondContact O-N 2.9Å; K361-V365 WeakPolarHBondContact O-CB 3.5Å; K361-V365 VanDerWaalsContact O-CG2 3.27Å; K361-V365 WeakPolarHBondContact O-CG2 3.47Å; K361-V365 PolarHBondContact O-N 2.84Å
362M98.6Very high98.1Very high0 Ų050.5 Ų50.50%025%0.247CC..Hα-helixtrans-60.8-44.9170.3-71.9178.763.900110.5M118 L122 I144 V307 S359 F364 V365 F366M118-M362 HydrophobicContact CB-CE 4.3Å; M118-M362 HydrophobicContact CG-CB 4.39Å; L122-M362 HydrophobicContact CB-CE 4.29Å; L122-M362 HydrophobicContact CD2-CE 3.54Å; I144-M362 HydrophobicContact CD1-SD 3.43Å; I144-M362 WeakPolarHBondContact CD1-SD 3.47Å; I144-M362 HydrophobicContact CG1-SD 4.06Å; V307-M362 HydrophobicContact CG1-CG 4.18Å; V307-M362 HydrophobicContact CG2-CG 4.2Å; S359-M362 PolarHBondContact O-N 2.94Å; M362-F364 PolarHBondContact O-N 3.17Å; M362-V365 PolarHBondContact O-N 2.8Å; M362-F366 HydrophobicContact CB-CE2 4.29Å; M362-F366 HydrophobicContact CB-CZ 4.38Å; M362-F366 HydrophobicContact CE-CE2 3.68Å; M362-F366 HydrophobicContact CE-CZ 3.6Å; M362-F366 WeakPolarHBondContact O-CB 3.39Å; M362-F366 WeakPolarHBondContact O-CD1 3.31Å; M362-F366 WeakPolarHBondContact O-CG 3.25Å; M362-F366 PolarHBondContact O-N 2.97Å
363W98.8Very high98.2Very high78 Ų7848.5 Ų48.530%0.29524%0.239SC..Hα-helixtrans-60.1-44.4178.8-173.765.7000112.7L114 M118 S359 L360 K361 R367L114-W363 HydrophobicContact CD1-CB 4.3Å; L114-W363 HydrophobicContact CD1-CD2 4.47Å; L114-W363 HydrophobicContact CD1-CG 3.98Å; L114-W363 HydrophobicContact CD2-CB 4.16Å; L114-W363 HydrophobicContact CD2-CG 4.37Å; M118-W363 HydrophobicContact CE-CG 4.48Å; M118-W363 HydrophobicContact CG-CB 4.22Å; M118-W363 VanDerWaalsContact SD-CA 3.52Å; M118-W363 HydrophobicContact SD-CB 3.66Å; M118-W363 HydrophobicContact SD-CG 4.08Å; S359-W363 WeakPolarHBondContact O-CB 3.28Å; S359-W363 PolarHBondContact O-N 2.84Å; L360-W363 HydrophobicContact CD1-CE3 4.16Å; L360-W363 WeakPolarHBondContact O-CB 3.47Å; L360-W363 PolarHBondContact O-N 3.13Å; K361-W363 VanDerWaalsContact C-N 3.3Å; W363-R367 VanDerWaalsContact CE2-CD 3.44Å; W363-R367 VanDerWaalsContact CH2-NH1 3.33Å; W363-R367 WeakPolarHBondContact O-CB 3.01Å; W363-R367 VanDerWaalsContact O-CG 3.27Å; W363-R367 WeakPolarHBondContact O-CG 3.33Å; W363-R367 PolarHBondContact O-N 3.36Å; W363-R367 VanDerWaalsContact O-N 3.09Å
364F98.9Very high98.3Very high44 Ų4444.8 Ų44.819%0.19322%0.22CC..Hα-helixtrans-61.5-51.5175.4-88.2-131.1000111.5P87 L90 A91 L94 L360 K361 M362 F366 R367 M368P87-F364 HydrophobicContact CB-CB 4.21Å; P87-F364 WeakPolarHBondContact O-CD1 3.33Å; L90-F364 HydrophobicContact CB-CD1 4.48Å; L90-F364 HydrophobicContact CB-CE1 4.4Å; A91-F364 HydrophobicContact CB-CB 3.97Å; A91-F364 HydrophobicContact CB-CD1 3.89Å; A91-F364 HydrophobicContact CB-CD2 4Å; A91-F364 HydrophobicContact CB-CE1 4.36Å; A91-F364 HydrophobicContact CB-CE2 4.47Å; A91-F364 HydrophobicContact CB-CG 3.7Å; L94-F364 HydrophobicContact CD2-CZ 4.35Å; L360-F364 HydrophobicContact CD1-CD2 4.29Å; L360-F364 HydrophobicContact CD1-CE2 3.9Å; L360-F364 HydrophobicContact CG-CE2 4.31Å; L360-F364 VanDerWaalsContact O-CD2 3.32Å; L360-F364 WeakPolarHBondContact O-CD2 3.44Å; L360-F364 PolarHBondContact O-N 3.49Å; K361-F364 PolarHBondContact O-N 2.9Å; M362-F364 PolarHBondContact O-N 3.17Å; F364-F366 PolarHBondContact O-N 3.33Å; F364-R367 PolarHBondContact O-N 3.34Å; F364-M368 HydrophobicContact CD1-SD 4.39Å; F364-M368 VanDerWaalsContact O-CB 3.3Å; F364-M368 WeakPolarHBondContact O-CB 3.16Å; F364-M368 VanDerWaalsContact O-CG 3.28Å; F364-M368 WeakPolarHBondContact O-CG 3.43Å; F364-M368 PolarHBondContact O-N 3.04Å
365V98.8Very high98.5Very high0 Ų044.3 Ų44.30%021%0.207CC..Hα-helixtrans-59.2-49.4-178.7170.60000110.9P87 A88 L306 V307 K361 M362 R367 M368 Y369 L374P87-V365 HydrophobicContact CB-CG2 4.18Å; A88-V365 HydrophobicContact CB-CG2 3.81Å; L306-V365 HydrophobicContact CB-CG1 4.28Å; L306-V365 WeakPolarHBondContact O-CG2 3.42Å; V307-V365 HydrophobicContact CG2-CB 4.1Å; V307-V365 HydrophobicContact CG2-CG1 4.06Å; V307-V365 HydrophobicContact CG2-CG2 4.08Å; K361-V365 WeakPolarHBondContact O-CB 3.5Å; K361-V365 VanDerWaalsContact O-CG2 3.27Å; K361-V365 WeakPolarHBondContact O-CG2 3.47Å; K361-V365 PolarHBondContact O-N 2.84Å; M362-V365 PolarHBondContact O-N 2.8Å; V365-R367 VanDerWaalsContact C-N 3.34Å; V365-R367 PolarHBondContact O-N 2.81Å; V365-M368 PolarHBondContact O-N 2.93Å; V365-Y369 HydrophobicContact CG1-CD2 3.87Å; V365-Y369 HydrophobicContact CG1-CE2 4.41Å; V365-Y369 WeakPolarHBondContact O-CB 3.45Å; V365-Y369 WeakPolarHBondContact O-CD2 3.41Å; V365-Y369 PolarHBondContact O-N 3.25Å; V365-L374 HydrophobicContact CG1-CD2 4.08Å
366F98.7Very high98.6Very high12 Ų1246.6 Ų46.65%0.05323%0.227CC..Hα-helixtrans-63.9-39.2-177.6-66.2-6.5000112.2M118 W121 L122 M125 L305 M362 F364 G370 L374M118-F366 HydrophobicContact SD-CD2 4.13Å; W121-F366 HydrophobicContact CE3-CD2 4.39Å; L122-F366 HydrophobicContact CB-CE2 4.1Å; L122-F366 HydrophobicContact CB-CZ 4.25Å; L122-F366 HydrophobicContact CD1-CZ 3.97Å; L122-F366 HydrophobicContact CD2-CZ 4.24Å; L122-F366 HydrophobicContact CG-CZ 4.39Å; M125-F366 HydrophobicContact SD-CD2 4.5Å; M125-F366 HydrophobicContact SD-CE2 4.44Å; L305-F366 HydrophobicContact CD2-CE1 3.87Å; L305-F366 HydrophobicContact CD2-CZ 4.17Å; L305-F366 HydrophobicContact CG-CE1 4.4Å; M362-F366 HydrophobicContact CB-CE2 4.29Å; M362-F366 HydrophobicContact CB-CZ 4.38Å; M362-F366 HydrophobicContact CE-CE2 3.68Å; M362-F366 HydrophobicContact CE-CZ 3.6Å; M362-F366 WeakPolarHBondContact O-CB 3.39Å; M362-F366 WeakPolarHBondContact O-CD1 3.31Å; M362-F366 WeakPolarHBondContact O-CG 3.25Å; M362-F366 PolarHBondContact O-N 2.97Å; F364-F366 PolarHBondContact O-N 3.33Å; F366-G370 WeakPolarHBondContact O-CA 3.46Å; F366-G370 PolarHBondContact O-N 2.92Å; F366-L374 HydrophobicContact CD1-CD1 3.85Å; F366-L374 HydrophobicContact CE1-CD1 4.24Å
367R98.8Very high98.7Very high159 Ų15944.5 Ų44.560%0.622%0.219SC*.Hα-helixtrans-74.9-36.5179.3-70-169.571-166.53.3113.3W121 W363 F364 V365W121-R367 HydrophobicContact CZ3-CG 4.29Å; W363-R367 VanDerWaalsContact CE2-CD 3.44Å; W363-R367 VanDerWaalsContact CH2-NH1 3.33Å; W363-R367 WeakPolarHBondContact O-CB 3.01Å; W363-R367 VanDerWaalsContact O-CG 3.27Å; W363-R367 WeakPolarHBondContact O-CG 3.33Å; W363-R367 PolarHBondContact O-N 3.36Å; W363-R367 VanDerWaalsContact O-N 3.09Å; F364-R367 PolarHBondContact O-N 3.34Å; V365-R367 VanDerWaalsContact C-N 3.34Å; V365-R367 PolarHBondContact O-N 2.81Å
368M98.7Very high98.7Very high121 Ų12143.8 Ų43.860%0.59622%0.216SC*.Hα-helixtrans-84.4-34.2-175.1-66.7-176.373.400113P87 F364 V365P87-M368 HydrophobicContact CB-CB 4.28Å; P87-M368 HydrophobicContact CB-CG 4.45Å; P87-M368 HydrophobicContact CB-SD 3.63Å; P87-M368 HydrophobicContact CG-CB 3.97Å; P87-M368 HydrophobicContact CG-CE 4.08Å; P87-M368 HydrophobicContact CG-CG 4.46Å; P87-M368 HydrophobicContact CG-SD 3.74Å; F364-M368 HydrophobicContact CD1-SD 4.39Å; F364-M368 VanDerWaalsContact O-CB 3.3Å; F364-M368 WeakPolarHBondContact O-CB 3.16Å; F364-M368 VanDerWaalsContact O-CG 3.28Å; F364-M368 WeakPolarHBondContact O-CG 3.43Å; F364-M368 PolarHBondContact O-N 3.04Å; V365-M368 PolarHBondContact O-N 2.93Å
369Y98.8Very high98.8Very high68 Ų6846.9 Ų46.927%0.26723%0.228SC..Hα-helixtrans-87-34.8173.7-76.4-80.1000112.8S85 P87 L306 V365 L374S85-Y369 WeakPolarHBondContact CB-OH 3.43Å; P87-Y369 HydrophobicContact CG-CD2 4.41Å; P87-Y369 HydrophobicContact CG-CE2 3.87Å; L306-Y369 HydrophobicContact CB-CE2 4.4Å; L306-Y369 HydrophobicContact CD1-CD1 4.18Å; L306-Y369 HydrophobicContact CD1-CD2 4.43Å; L306-Y369 HydrophobicContact CD1-CE1 3.77Å; L306-Y369 HydrophobicContact CD1-CE2 4.03Å; L306-Y369 HydrophobicContact CD1-CG 4.49Å; V365-Y369 HydrophobicContact CG1-CD2 3.87Å; V365-Y369 HydrophobicContact CG1-CE2 4.41Å; V365-Y369 WeakPolarHBondContact O-CB 3.45Å; V365-Y369 WeakPolarHBondContact O-CD2 3.41Å; V365-Y369 PolarHBondContact O-N 3.25Å; Y369-L374 HydrophobicContact CD2-CD2 4.43Å; Y369-L374 HydrophobicContact CG-CD2 4.16Å
370G98.8Very high98.8Very high27 Ų2749.5 Ų49.528%0.27824%0.239SC..Hα-helixtrans65.5162-166.100000112.7F366 K372 G373 L374F366-G370 WeakPolarHBondContact O-CA 3.46Å; F366-G370 PolarHBondContact O-N 2.92Å; G370-K372 VanDerWaalsContact C-N 3.28Å; G370-K372 PolarHBondContact O-N 3.14Å; G370-G373 PolarHBondContact O-N 3.38Å; G370-L374 WeakPolarHBondContact O-CG 3.47Å; G370-L374 PolarHBondContact O-N 3.25Å; G370-L374 VanDerWaalsContact O-N 3.16Å
371V98.8Very high98.8Very high63 Ų6349 Ų4938%0.38224%0.237SC..Hα-helixtrans-58.6-40.6-179.7-179.50000111.6M125 G373 L374 Q375M125-V371 HydrophobicContact CE-CG1 4.42Å; M125-V371 HydrophobicContact CE-CG2 4.03Å; M125-V371 HydrophobicContact CG-CG2 3.98Å; M125-V371 HydrophobicContact SD-CG2 4.03Å; V371-G373 PolarHBondContact O-N 3.47Å; V371-L374 PolarHBondContact O-N 3Å; V371-Q375 HydrophobicContact CG1-CG 4.2Å; V371-Q375 WeakPolarHBondContact O-CB 3.48Å; V371-Q375 VanDerWaalsContact O-CG 3.29Å; V371-Q375 WeakPolarHBondContact O-CG 3.3Å; V371-Q375 PolarHBondContact O-N 3.14Å
372K98.8Very high98.8Very high176 Ų17649.4 Ų49.477%0.76524%0.239SC*.Hα-helixtrans-62.4-40.2179.1-68.1-175.6178.8-179.10112.7G370 Q375 A376G370-K372 VanDerWaalsContact C-N 3.28Å; G370-K372 PolarHBondContact O-N 3.14Å; K372-Q375 PolarHBondContact O-N 3Å; K372-A376 WeakPolarHBondContact O-CB 3.48Å; K372-A376 PolarHBondContact O-N 3.04Å
373G98.8Very high98.8Very high27 Ų2755.8 Ų55.828%0.27827%0.269SS..Hα-helixtrans-66.7-43177.500000112G370 V371 A376 Y377G370-G373 PolarHBondContact O-N 3.38Å; V371-G373 PolarHBondContact O-N 3.47Å; G373-A376 PolarHBondContact O-N 3.32Å; G373-Y377 PolarHBondContact O-N 2.83Å
374L98.9Very high98.8Very high1 Ų152.3 Ų52.31%0.00526%0.256CS..Hα-helixtrans-64.3-41.4175.6-63.1172.5000112.1M125 I280 L305 L306 V365 F366 Y369 G370 V371 Y377 I378M125-L374 HydrophobicContact CE-CD1 4.02Å; I280-L374 HydrophobicContact CD1-CB 3.59Å; L305-L374 HydrophobicContact CD1-CB 4.33Å; L305-L374 HydrophobicContact CD1-CD1 4.33Å; L305-L374 HydrophobicContact CD1-CD2 4.47Å; L306-L374 HydrophobicContact CB-CD2 4.44Å; L306-L374 HydrophobicContact CD1-CD2 4.17Å; V365-L374 HydrophobicContact CG1-CD2 4.08Å; F366-L374 HydrophobicContact CD1-CD1 3.85Å; F366-L374 HydrophobicContact CE1-CD1 4.24Å; Y369-L374 HydrophobicContact CD2-CD2 4.43Å; Y369-L374 HydrophobicContact CG-CD2 4.16Å; G370-L374 WeakPolarHBondContact O-CG 3.47Å; G370-L374 PolarHBondContact O-N 3.25Å; G370-L374 VanDerWaalsContact O-N 3.16Å; V371-L374 PolarHBondContact O-N 3Å; L374-Y377 WeakPolarHBondContact O-CB 3.32Å; L374-Y377 PolarHBondContact O-N 2.97Å; L374-I378 PolarHBondContact O-N 3.37Å; L374-I378 VanDerWaalsContact O-N 3.16Å
375Q98.9Very high98.8Very high29 Ų2950.2 Ų50.214%0.13625%0.247CC..Hα-helixtrans-63-43.9174.7-74.2173.7-13.500111.8I280 V371 K372 Y377 I378 R379I280-Q375 HydrophobicContact CD1-CG 4.11Å; I280-Q375 HydrophobicContact CG1-CG 3.89Å; I280-Q375 PolarHBondContact O-NE2 2.86Å; V371-Q375 HydrophobicContact CG1-CG 4.2Å; V371-Q375 WeakPolarHBondContact O-CB 3.48Å; V371-Q375 VanDerWaalsContact O-CG 3.29Å; V371-Q375 WeakPolarHBondContact O-CG 3.3Å; V371-Q375 PolarHBondContact O-N 3.14Å; K372-Q375 PolarHBondContact O-N 3Å; Q375-Y377 VanDerWaalsContact C-N 3.3Å; Q375-Y377 PolarHBondContact O-N 3.45Å; Q375-I378 PolarHBondContact O-N 3.01Å; Q375-R379 WeakPolarHBondContact O-CB 3.28Å; Q375-R379 VanDerWaalsContact O-CG 3.28Å; Q375-R379 WeakPolarHBondContact O-CG 3.46Å; Q375-R379 PolarHBondContact O-N 2.89Å
376A98.8Very high98.8Very high54 Ų5453.8 Ų53.845%0.44626%0.264SS..Hα-helixtrans-61.5-39.6177.400000112K372 G373 R379 K380K372-A376 WeakPolarHBondContact O-CB 3.48Å; K372-A376 PolarHBondContact O-N 3.04Å; G373-A376 PolarHBondContact O-N 3.32Å; A376-R379 PolarHBondContact O-N 3.05Å; A376-K380 WeakPolarHBondContact O-CB 3.43Å; A376-K380 PolarHBondContact O-N 3.44Å
377Y98.8Very high98.8Very high22 Ų2255.2 Ų55.29%0.08627%0.271CS..Hα-helixtrans-58.6-49.1174.7166.6-105000112.3W304 L306 G373 L374 Q375 K380 H381 R453W304-Y377 AromaticContact CD1-CE1 3.67Å; W304-Y377 AromaticContact CD1-CZ 3.91Å; L306-Y377 HydrophobicContact CD1-CD1 4.16Å; L306-Y377 HydrophobicContact CD1-CD2 4.24Å; L306-Y377 HydrophobicContact CD1-CG 4Å; L306-Y377 HydrophobicContact CD2-CD1 4.24Å; L306-Y377 HydrophobicContact CD2-CD2 4.19Å; L306-Y377 HydrophobicContact CD2-CE1 3.8Å; L306-Y377 HydrophobicContact CD2-CE2 3.73Å; L306-Y377 HydrophobicContact CD2-CG 4.42Å; L306-Y377 HydrophobicContact CG-CD1 3.96Å; L306-Y377 HydrophobicContact CG-CD2 4.48Å; L306-Y377 HydrophobicContact CG-CE1 3.91Å; L306-Y377 HydrophobicContact CG-CE2 4.43Å; L306-Y377 HydrophobicContact CG-CG 4.26Å; G373-Y377 PolarHBondContact O-N 2.83Å; L374-Y377 WeakPolarHBondContact O-CB 3.32Å; L374-Y377 PolarHBondContact O-N 2.97Å; Q375-Y377 VanDerWaalsContact C-N 3.3Å; Q375-Y377 PolarHBondContact O-N 3.45Å; Y377-K380 PolarHBondContact O-N 3.33Å; Y377-H381 AromaticContact CD2-NE2 3.78Å; Y377-H381 AromaticContact CE2-CD2 3.66Å; Y377-H381 AromaticContact CE2-CE1 3.67Å; Y377-H381 AromaticContact CE2-NE2 3.01Å; Y377-H381 WeakPolarHBondContact CE2-NE2 3.28Å; Y377-H381 AromaticContact CZ-CE1 3.64Å; Y377-H381 AromaticContact CZ-NE2 3.46Å; Y377-H381 PolarHBondContact O-CD2 3.07Å; Y377-H381 VanDerWaalsContact O-CD2 3.31Å; Y377-H381 PolarHBondContact O-N 3.16Å; Y377-H381 PolarHBondContact OH-CE1 3.44Å; Y377-H381 VanDerWaalsContact OH-CE1 3.25Å; Y377-R453 HydrophobicContact CD2-CG 4.45Å; Y377-R453 HydrophobicContact CE2-CB 4.25Å; Y377-R453 HydrophobicContact CE2-CG 4.15Å
378I98.9Very high98.8Very high0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-63.2-48.1178.2-68.8160.9000110.7S277 A278 I280 F284 W304 L305 L374 Q375 K380 H381 V382S277-I378 WeakPolarHBondContact O-CD1 3.02Å; A278-I378 HydrophobicContact CB-CG2 4.24Å; I280-I378 HydrophobicContact CD1-CD1 3.56Å; I280-I378 HydrophobicContact CG1-CD1 3.65Å; F284-I378 HydrophobicContact CD2-CG2 4.46Å; F284-I378 HydrophobicContact CE2-CG2 4.16Å; W304-I378 HydrophobicContact CH2-CG2 4.1Å; W304-I378 HydrophobicContact CZ2-CG2 4.36Å; W304-I378 HydrophobicContact CZ3-CG2 4.34Å; L305-I378 HydrophobicContact CD1-CD1 4.38Å; L374-I378 PolarHBondContact O-N 3.37Å; L374-I378 VanDerWaalsContact O-N 3.16Å; Q375-I378 PolarHBondContact O-N 3.01Å; I378-K380 VanDerWaalsContact C-N 3.27Å; I378-K380 PolarHBondContact O-N 2.95Å; I378-H381 PolarHBondContact O-N 3.35Å; I378-V382 HydrophobicContact CG2-CG2 4.42Å; I378-V382 WeakPolarHBondContact O-CG2 3.2Å; I378-V382 PolarHBondContact O-N 3.49Å
379R98.9Very high98.9Very high92 Ų9244 Ų4435%0.34722%0.223SC..Hα-helixtrans-56.2-41.9179.1-74.2167.6176.11397.4112E283 Q375 A376 H381 V382 Q383E283-R379 IonicContact OE1-CZ 3.24Å; E283-R379 VanDerWaalsContact OE1-CZ 3.3Å; E283-R379 IonicContact OE1-NE 3.31Å; E283-R379 PolarHBondContact OE1-NE 3.27Å; E283-R379 IonicContact OE1-NH2 2.71Å; E283-R379 PolarHBondContact OE1-NH2 2.86Å; E283-R379 VanDerWaalsContact OE1-NH2 3.08Å; E283-R379 IonicContact OE2-CZ 2.8Å; E283-R379 IonicContact OE2-NE 3.25Å; E283-R379 IonicContact OE2-NH2 3.81Å; E283-R379 PolarHBondContact OE2-NH2 3.39Å; Q375-R379 WeakPolarHBondContact O-CB 3.28Å; Q375-R379 VanDerWaalsContact O-CG 3.28Å; Q375-R379 WeakPolarHBondContact O-CG 3.46Å; Q375-R379 PolarHBondContact O-N 2.89Å; A376-R379 PolarHBondContact O-N 3.05Å; R379-H381 PolarHBondContact O-N 2.93Å; R379-V382 PolarHBondContact O-N 3.31Å; R379-Q383 WeakPolarHBondContact O-CB 3.4Å; R379-Q383 PolarHBondContact O-N 3.23Å
380K98.8Very high98.9Very high54 Ų5443.4 Ų43.424%0.23523%0.23CC..Hα-helixtrans-59.4-46.3175.7-174.1-169.9-176.2-167.30111.6A376 Y377 I378 V382 Q383 L384 V455 E456A376-K380 WeakPolarHBondContact O-CB 3.43Å; A376-K380 PolarHBondContact O-N 3.44Å; Y377-K380 PolarHBondContact O-N 3.33Å; I378-K380 VanDerWaalsContact C-N 3.27Å; I378-K380 PolarHBondContact O-N 2.95Å; K380-V382 VanDerWaalsContact C-N 3.34Å; K380-V382 PolarHBondContact O-N 3.32Å; K380-Q383 WeakPolarHBondContact O-CB 3.32Å; K380-Q383 PolarHBondContact O-N 3.31Å; K380-L384 HydrophobicContact CG-CD1 4.23Å; K380-L384 VanDerWaalsContact O-CG 3.32Å; K380-L384 WeakPolarHBondContact O-CG 3.49Å; K380-L384 PolarHBondContact O-N 3.34Å; K380-V455 WeakPolarHBondContact CE-O 3.27Å; K380-V455 PolarHBondContact NZ-O 3.27Å; K380-E456 WeakPolarHBondContact CE-OE2 3.2Å; K380-E456 IonicContact NZ-OE1 2.63Å; K380-E456 PolarHBondContact NZ-OE1 3.14Å; K380-E456 IonicContact NZ-OE2 3.06Å; K380-E456 PolarHBondContact NZ-OE2 3.18Å
381H98.9Very high98.9Very high0 Ų043.7 Ų43.70%023%0.225CC..Hα-helixtrans-64.7-38.7179.5-79.7-132.7000112.3W304 Y377 I378 R379 L384 S385 I450 C451 S452W304-H381 AromaticContact CD1-ND1 3.92Å; W304-H381 AromaticContact CE2-ND1 3.99Å; W304-H381 HydrophobicContact CZ2-CB 3.46Å; W304-H381 VanDerWaalsContact CZ2-CB 3.46Å; W304-H381 AromaticContact NE1-CE1 3.8Å; W304-H381 AromaticContact NE1-CG 3.43Å; W304-H381 AromaticContact NE1-ND1 3.04Å; W304-H381 PolarHBondContact NE1-ND1 2.72Å; Y377-H381 AromaticContact CD2-NE2 3.78Å; Y377-H381 AromaticContact CE2-CD2 3.66Å; Y377-H381 AromaticContact CE2-CE1 3.67Å; Y377-H381 AromaticContact CE2-NE2 3.01Å; Y377-H381 WeakPolarHBondContact CE2-NE2 3.28Å; Y377-H381 AromaticContact CZ-CE1 3.64Å; Y377-H381 AromaticContact CZ-NE2 3.46Å; Y377-H381 PolarHBondContact O-CD2 3.07Å; Y377-H381 VanDerWaalsContact O-CD2 3.31Å; Y377-H381 PolarHBondContact O-N 3.16Å; Y377-H381 PolarHBondContact OH-CE1 3.44Å; Y377-H381 VanDerWaalsContact OH-CE1 3.25Å; I378-H381 PolarHBondContact O-N 3.35Å; R379-H381 PolarHBondContact O-N 2.93Å; H381-L384 PolarHBondContact O-N 2.93Å; H381-S385 PolarHBondContact O-N 3.43Å; H381-S385 VanDerWaalsContact O-N 3.08Å; H381-S385 PolarHBondContact O-OG 3.32Å; H381-I450 HydrophobicContact CB-CB 4.32Å; H381-I450 HydrophobicContact CB-CG2 3.97Å; H381-I450 PolarHBondContact ND1-O 3.42Å; H381-C451 PolarHBondContact CE1-O 3.5Å; H381-S452 PolarHBondContact CE1-O 3.33Å; H381-S452 VanDerWaalsContact CE1-O 3.25Å; H381-S452 PolarHBondContact NE2-O 3.16Å
382V98.9Very high98.9Very high10 Ų1040.7 Ų40.76%0.06121%0.206CC..Hα-helixtrans-67-38.6174.6178.40000111.3F284 W304 I378 R379 K380 L384 S385 H386 L406F284-V382 HydrophobicContact CE1-CG1 4.28Å; F284-V382 HydrophobicContact CE2-CG2 4.14Å; F284-V382 HydrophobicContact CZ-CB 4.16Å; F284-V382 HydrophobicContact CZ-CG1 3.9Å; F284-V382 HydrophobicContact CZ-CG2 3.87Å; W304-V382 HydrophobicContact CH2-CG2 3.8Å; W304-V382 HydrophobicContact CZ2-CG2 4.3Å; I378-V382 HydrophobicContact CG2-CG2 4.42Å; I378-V382 WeakPolarHBondContact O-CG2 3.2Å; I378-V382 PolarHBondContact O-N 3.49Å; R379-V382 PolarHBondContact O-N 3.31Å; K380-V382 VanDerWaalsContact C-N 3.34Å; K380-V382 PolarHBondContact O-N 3.32Å; V382-L384 VanDerWaalsContact C-N 3.33Å; V382-L384 PolarHBondContact O-N 3.28Å; V382-S385 WeakPolarHBondContact CA-OG 3.3Å; V382-S385 PolarHBondContact O-N 3.47Å; V382-S385 PolarHBondContact O-OG 3.02Å; V382-H386 PolarHBondContact O-CD2 3.44Å; V382-H386 PolarHBondContact O-N 3.35Å; V382-L406 HydrophobicContact CG2-CD2 4.04Å
383Q98.9Very high98.9Very high134 Ų13437.6 Ų37.663%0.62620%0.198SC*.Hα-helixtrans-61-43.5173.7-178.9-176.8-6.400111.6R379 K380 H386 E387R379-Q383 WeakPolarHBondContact O-CB 3.4Å; R379-Q383 PolarHBondContact O-N 3.23Å; K380-Q383 WeakPolarHBondContact O-CB 3.32Å; K380-Q383 PolarHBondContact O-N 3.31Å; Q383-H386 PolarHBondContact O-N 2.9Å; Q383-E387 PolarHBondContact O-N 3.44Å
384L98.9Very high98.9Very high6 Ų642.8 Ų42.83%0.03122%0.215CC..Hα-helixtrans-68.9-31.9-179.5-70.5173.9000113.2K380 H381 V382 E387 F388 I450 V455 V460K380-L384 HydrophobicContact CG-CD1 4.23Å; K380-L384 VanDerWaalsContact O-CG 3.32Å; K380-L384 WeakPolarHBondContact O-CG 3.49Å; K380-L384 PolarHBondContact O-N 3.34Å; H381-L384 PolarHBondContact O-N 2.93Å; V382-L384 VanDerWaalsContact C-N 3.33Å; V382-L384 PolarHBondContact O-N 3.28Å; L384-E387 PolarHBondContact O-N 2.94Å; L384-F388 PolarHBondContact O-N 2.73Å; L384-I450 HydrophobicContact CB-CD1 4.07Å; L384-I450 HydrophobicContact CB-CG1 4.18Å; L384-I450 HydrophobicContact CB-CG2 4.22Å; L384-I450 HydrophobicContact CD1-CG2 4.2Å; L384-V455 HydrophobicContact CD1-CG1 3.73Å; L384-V455 HydrophobicContact CD1-CG2 4.42Å; L384-V460 HydrophobicContact CB-CG2 4.22Å; L384-V460 HydrophobicContact CD2-CG2 4.15Å
385S98.9Very high98.8Very high0 Ų043.7 Ų43.70%022%0.219CC..Hα-helixtrans-69.2-40.1172.854.70000111.8H381 V382 E387 F388 E389 L406 V409H381-S385 PolarHBondContact O-N 3.43Å; H381-S385 VanDerWaalsContact O-N 3.08Å; H381-S385 PolarHBondContact O-OG 3.32Å; V382-S385 WeakPolarHBondContact CA-OG 3.3Å; V382-S385 PolarHBondContact O-N 3.47Å; V382-S385 PolarHBondContact O-OG 3.02Å; S385-E387 VanDerWaalsContact C-N 3.33Å; S385-E387 PolarHBondContact O-N 3.06Å; S385-F388 PolarHBondContact O-N 3.45Å; S385-E389 WeakPolarHBondContact O-CB 3.24Å; S385-E389 PolarHBondContact O-N 2.88Å; S385-L406 VanDerWaalsContact CB-O 3.32Å; S385-L406 WeakPolarHBondContact CB-O 3.41Å; S385-L406 PolarHBondContact OG-O 2.99Å; S385-V409 WeakPolarHBondContact O-CG2 3.4Å
386H98.9Very high98.8Very high75 Ų7547.1 Ų47.135%0.34724%0.244SC..Hα-helixtrans-68.3-30.4173.4-74.1-62.3000113.3V382 Q383 E389 S390 V404V382-H386 PolarHBondContact O-CD2 3.44Å; V382-H386 PolarHBondContact O-N 3.35Å; Q383-H386 PolarHBondContact O-N 2.9Å; H386-E389 IonicContact CE1-OE2 3.25Å; H386-E389 IonicContact CG-OE2 3.74Å; H386-E389 IonicContact ND1-OE2 3.4Å; H386-E389 PolarHBondContact ND1-OE2 3.2Å; H386-E389 PolarHBondContact O-N 2.85Å; H386-S390 WeakPolarHBondContact O-CB 3.34Å; H386-S390 PolarHBondContact O-N 3.06Å; H386-V404 PolarHBondContact CE1-O 3.48Å
387E98.9Very high98.8Very high42 Ų4247.4 Ų47.420%0.19623%0.234CC..Hα-helixtrans-61.1-49.2168.7-176.7-179.9163.100110.5Q383 L384 S385 E389 S390 L391 S457 Q461Q383-E387 PolarHBondContact O-N 3.44Å; L384-E387 PolarHBondContact O-N 2.94Å; S385-E387 VanDerWaalsContact C-N 3.33Å; S385-E387 PolarHBondContact O-N 3.06Å; E387-E389 PolarHBondContact O-N 3.42Å; E387-S390 WeakPolarHBondContact O-CB 3.4Å; E387-S390 PolarHBondContact O-N 3.33Å; E387-L391 WeakPolarHBondContact O-CG 3.12Å; E387-L391 PolarHBondContact O-N 3.26Å; E387-S457 VanDerWaalsContact CD-OG 3.26Å; E387-S457 WeakPolarHBondContact OE1-CB 3.31Å; E387-S457 PolarHBondContact OE1-OG 3.39Å; E387-S457 VanDerWaalsContact OE2-CB 3.26Å; E387-S457 WeakPolarHBondContact OE2-CB 3.44Å; E387-S457 PolarHBondContact OE2-OG 3.41Å; E387-Q461 PolarHBondContact OE1-NE2 3.39Å
388F98.9Very high98.8Very high0 Ų046.7 Ų46.70%023%0.231CC..Hα-helixtrans-61.6-42.3176.2-174.6-100.6000112.5L384 S385 S390 L391 V392 V409 F411 F448 V460 W464 I467L384-F388 PolarHBondContact O-N 2.73Å; S385-F388 PolarHBondContact O-N 3.45Å; F388-S390 VanDerWaalsContact C-N 3.34Å; F388-S390 PolarHBondContact O-N 3.1Å; F388-L391 WeakPolarHBondContact O-CB 3.33Å; F388-L391 PolarHBondContact O-N 3.38Å; F388-V392 HydrophobicContact CD1-CG2 3.98Å; F388-V392 HydrophobicContact CE1-CG2 3.57Å; F388-V392 HydrophobicContact CE2-CG2 4.44Å; F388-V392 HydrophobicContact CZ-CG2 3.83Å; F388-V392 WeakPolarHBondContact O-CG2 3.42Å; F388-V392 PolarHBondContact O-N 3.4Å; F388-V409 HydrophobicContact CD1-CB 3.7Å; F388-V409 HydrophobicContact CD1-CG1 3.8Å; F388-V409 HydrophobicContact CD1-CG2 3.86Å; F388-V409 HydrophobicContact CE1-CB 4.11Å; F388-V409 HydrophobicContact CE1-CG1 4.05Å; F388-F411 AromaticContact CE1-CD1 3.84Å; F388-F411 HydrophobicContact CE1-CD1 3.84Å; F388-F411 AromaticContact CE1-CE1 3.91Å; F388-F411 HydrophobicContact CE1-CE1 3.91Å; F388-F411 HydrophobicContact CE1-CG 4.34Å; F388-F411 HydrophobicContact CE1-CZ 4.45Å; F388-F411 HydrophobicContact CZ-CD1 4.22Å; F388-F411 AromaticContact CZ-CE1 3.87Å; F388-F411 HydrophobicContact CZ-CE1 3.87Å; F388-F411 HydrophobicContact CZ-CE2 4.44Å; F388-F411 AromaticContact CZ-CZ 4Å; F388-F411 HydrophobicContact CZ-CZ 4Å; F388-F448 HydrophobicContact CB-CD1 4.3Å; F388-F448 HydrophobicContact CB-CE1 4.24Å; F388-F448 HydrophobicContact CD1-CB 4.02Å; F388-F448 AromaticContact CD1-CD1 3.75Å; F388-F448 HydrophobicContact CD1-CD1 3.75Å; F388-F448 HydrophobicContact CD1-CE1 4.35Å; F388-F448 AromaticContact CD1-CG 3.89Å; F388-F448 HydrophobicContact CD1-CG 3.89Å; F388-F448 AromaticContact CD2-CD1 3.96Å; F388-F448 HydrophobicContact CD2-CD1 3.96Å; F388-F448 HydrophobicContact CD2-CD2 4.29Å; F388-F448 AromaticContact CD2-CE1 3.77Å; F388-F448 HydrophobicContact CD2-CE1 3.77Å; F388-F448 HydrophobicContact CD2-CE2 4.14Å; F388-F448 HydrophobicContact CD2-CG 4.21Å; F388-F448 AromaticContact CD2-CZ 3.87Å; F388-F448 HydrophobicContact CD2-CZ 3.87Å; F388-F448 HydrophobicContact CE1-CB 3.55Å; F388-F448 HydrophobicContact CE1-CD1 4.01Å; F388-F448 HydrophobicContact CE1-CD2 4.1Å; F388-F448 AromaticContact CE1-CG 3.63Å; F388-F448 HydrophobicContact CE1-CG 3.63Å; F388-F448 HydrophobicContact CE2-CD1 4.19Å; F388-F448 AromaticContact CE2-CD2 3.74Å; F388-F448 HydrophobicContact CE2-CD2 3.74Å; F388-F448 HydrophobicContact CE2-CE1 4.19Å; F388-F448 AromaticContact CE2-CE2 3.76Å; F388-F448 HydrophobicContact CE2-CE2 3.76Å; F388-F448 AromaticContact CE2-CG 3.97Å; F388-F448 HydrophobicContact CE2-CG 3.97Å; F388-F448 AromaticContact CE2-CZ 3.98Å; F388-F448 HydrophobicContact CE2-CZ 3.98Å; F388-F448 AromaticContact CG-CD1 3.72Å; F388-F448 HydrophobicContact CG-CD1 3.72Å; F388-F448 AromaticContact CG-CE1 3.85Å; F388-F448 HydrophobicContact CG-CE1 3.85Å; F388-F448 HydrophobicContact CG-CG 4.17Å; F388-F448 HydrophobicContact CG-CZ 4.42Å; F388-F448 HydrophobicContact CZ-CB 3.94Å; F388-F448 HydrophobicContact CZ-CD1 4.22Å; F388-F448 AromaticContact CZ-CD2 3.64Å; F388-F448 HydrophobicContact CZ-CD2 3.64Å; F388-F448 HydrophobicContact CZ-CE2 4.15Å; F388-F448 AromaticContact CZ-CG 3.68Å; F388-F448 HydrophobicContact CZ-CG 3.68Å; F388-V460 HydrophobicContact CB-CG1 3.69Å; F388-V460 HydrophobicContact CD2-CG1 3.91Å; F388-V460 HydrophobicContact CG-CG1 4.28Å; F388-W464 HydrophobicContact CD2-CB 4.38Å; F388-W464 HydrophobicContact CE2-CB 4.14Å; F388-W464 HydrophobicContact CE2-CD2 4.4Å; F388-W464 AromaticContact CE2-CE3 3.77Å; F388-W464 HydrophobicContact CE2-CE3 3.77Å; F388-W464 AromaticContact CZ-CE3 4Å; F388-W464 HydrophobicContact CZ-CE3 4Å; F388-W464 HydrophobicContact CZ-CZ3 4.4Å; F388-I467 HydrophobicContact CE2-CD1 4.12Å; F388-I467 HydrophobicContact CZ-CD1 4.1Å
389E98.9Very high98.8Very high43 Ų4349.2 Ų49.220%0.20124%0.243CC..Hα-helixtrans-54.9-48.7174.1-179.9-175.2-153.400111.5S385 H386 E387 L391 V392 L393 I400 V404 V409S385-E389 WeakPolarHBondContact O-CB 3.24Å; S385-E389 PolarHBondContact O-N 2.88Å; H386-E389 IonicContact CE1-OE2 3.25Å; H386-E389 IonicContact CG-OE2 3.74Å; H386-E389 IonicContact ND1-OE2 3.4Å; H386-E389 PolarHBondContact ND1-OE2 3.2Å; H386-E389 PolarHBondContact O-N 2.85Å; E387-E389 PolarHBondContact O-N 3.42Å; E389-L391 VanDerWaalsContact C-N 3.31Å; E389-L391 PolarHBondContact O-N 3.28Å; E389-V392 PolarHBondContact O-N 3.49Å; E389-L393 HydrophobicContact CG-CD1 4.02Å; E389-L393 WeakPolarHBondContact O-CG 3.5Å; E389-L393 PolarHBondContact O-N 2.91Å; E389-I400 HydrophobicContact CG-CD1 4.23Å; E389-I400 HydrophobicContact CG-CG1 4.38Å; E389-V404 HydrophobicContact CB-CG2 4.13Å; E389-V404 HydrophobicContact CG-CB 4.4Å; E389-V404 HydrophobicContact CG-CG2 3.85Å; E389-V404 WeakPolarHBondContact OE1-CG2 3.46Å; E389-V409 HydrophobicContact CB-CG2 4.49Å
390S98.9Very high98.8Very high57 Ų5746.8 Ų46.840%0.39924%0.236SC..Hα-helixtrans-59.9-41.2177.3-177.70000112H386 E387 F388 L393 Q394H386-S390 WeakPolarHBondContact O-CB 3.34Å; H386-S390 PolarHBondContact O-N 3.06Å; E387-S390 WeakPolarHBondContact O-CB 3.4Å; E387-S390 PolarHBondContact O-N 3.33Å; F388-S390 VanDerWaalsContact C-N 3.34Å; F388-S390 PolarHBondContact O-N 3.1Å; S390-L393 PolarHBondContact O-N 3.36Å; S390-Q394 VanDerWaalsContact O-CG 3.25Å; S390-Q394 WeakPolarHBondContact O-CG 3.47Å; S390-Q394 PolarHBondContact O-N 3.04Å; S390-Q394 VanDerWaalsContact O-N 3.16Å; S390-Q394 PolarHBondContact O-NE2 3.13Å; S390-Q394 PolarHBondContact OG-NE2 3.1Å; S390-Q394 VanDerWaalsContact OG-NE2 3.15Å
391L98.9Very high98.7Very high33 Ų3345.5 Ų45.517%0.17323%0.234CC..Hα-helixtrans-62.9-41.2176.6-71.9173.6000112.5E387 F388 E389 V460 Q461 W464E387-L391 WeakPolarHBondContact O-CG 3.12Å; E387-L391 PolarHBondContact O-N 3.26Å; F388-L391 WeakPolarHBondContact O-CB 3.33Å; F388-L391 PolarHBondContact O-N 3.38Å; E389-L391 VanDerWaalsContact C-N 3.31Å; E389-L391 PolarHBondContact O-N 3.28Å; L391-V460 HydrophobicContact CD1-CG1 4.32Å; L391-Q461 HydrophobicContact CD1-CG 4.24Å; L391-W464 HydrophobicContact CB-CD2 4.29Å; L391-W464 HydrophobicContact CB-CG 3.96Å; L391-W464 HydrophobicContact CD1-CB 4.04Å; L391-W464 HydrophobicContact CD1-CG 4.13Å; L391-W464 WeakPolarHBondContact O-CZ2 3.31Å; L391-W464 PolarHBondContact O-NE1 2.95Å
392V98.9Very high98.7Very high0 Ų046.3 Ų46.30%024%0.24CC..Hα-helixtrans-65.9-45.1176.5174.10000111F388 E389 Q394 D395 F398 I400 F411 W464F388-V392 HydrophobicContact CD1-CG2 3.98Å; F388-V392 HydrophobicContact CE1-CG2 3.57Å; F388-V392 HydrophobicContact CE2-CG2 4.44Å; F388-V392 HydrophobicContact CZ-CG2 3.83Å; F388-V392 WeakPolarHBondContact O-CG2 3.42Å; F388-V392 PolarHBondContact O-N 3.4Å; E389-V392 PolarHBondContact O-N 3.49Å; V392-Q394 PolarHBondContact O-N 2.93Å; V392-D395 PolarHBondContact O-N 3.23Å; V392-D395 VanDerWaalsContact O-N 3.12Å; V392-F398 HydrophobicContact CG1-CB 3.78Å; V392-I400 HydrophobicContact CB-CD1 3.95Å; V392-I400 HydrophobicContact CG1-CD1 3.66Å; V392-I400 HydrophobicContact CG1-CG1 4.23Å; V392-F411 HydrophobicContact CG1-CB 4.02Å; V392-F411 HydrophobicContact CG1-CD2 4.48Å; V392-F411 HydrophobicContact CG2-CB 4.45Å; V392-F411 HydrophobicContact CG2-CD2 4.31Å; V392-F411 HydrophobicContact CG2-CG 4.35Å; V392-W464 HydrophobicContact CB-CH2 4.23Å; V392-W464 HydrophobicContact CG1-CH2 4.47Å; V392-W464 HydrophobicContact CG2-CE3 4.12Å; V392-W464 HydrophobicContact CG2-CH2 3.86Å; V392-W464 HydrophobicContact CG2-CZ2 4.46Å; V392-W464 HydrophobicContact CG2-CZ3 3.67Å
393L98.7Very high98.6Very high111 Ų11152.7 Ų52.758%0.58127%0.269SS*.Hα-helixtrans-65.6-25.6-178.7-71.9172.3000113.4E389 S390 D395 I400E389-L393 HydrophobicContact CG-CD1 4.02Å; E389-L393 WeakPolarHBondContact O-CG 3.5Å; E389-L393 PolarHBondContact O-N 2.91Å; S390-L393 PolarHBondContact O-N 3.36Å; L393-D395 VanDerWaalsContact C-N 3.28Å; L393-I400 HydrophobicContact CD2-CG1 3.76Å; L393-I400 HydrophobicContact CG-CG1 4.01Å
394Q98.6Very high98.6Very high136 Ų13646.6 Ų46.664%0.63624%0.242SC*.THydrogen-bonded Turntrans-73.2-18.6175.3-73.2169.742.900113.3S390 V392S390-Q394 VanDerWaalsContact O-CG 3.25Å; S390-Q394 WeakPolarHBondContact O-CG 3.47Å; S390-Q394 PolarHBondContact O-N 3.04Å; S390-Q394 VanDerWaalsContact O-N 3.16Å; S390-Q394 PolarHBondContact O-NE2 3.13Å; S390-Q394 PolarHBondContact OG-NE2 3.1Å; S390-Q394 VanDerWaalsContact OG-NE2 3.15Å; V392-Q394 PolarHBondContact O-N 2.93Å
395D98.6Very high98.5Very high19 Ų1947.7 Ų47.710%0.10225%0.248CC..SBendtrans-99.8109.1177.9-167.8-37.7000110.8V392 L393 R397 F398 W464V392-D395 PolarHBondContact O-N 3.23Å; V392-D395 VanDerWaalsContact O-N 3.12Å; L393-D395 VanDerWaalsContact C-N 3.28Å; D395-R397 PolarHBondContact O-N 3.28Å; D395-R397 VanDerWaalsContact OD1-CB 3.26Å; D395-R397 WeakPolarHBondContact OD1-CB 3.15Å; D395-R397 VanDerWaalsContact OD1-CG 3.25Å; D395-R397 WeakPolarHBondContact OD1-CG 3.5Å; D395-R397 IonicContact OD1-CZ 2.65Å; D395-R397 PolarHBondContact OD1-N 3.27Å; D395-R397 VanDerWaalsContact OD1-N 3.09Å; D395-R397 IonicContact OD1-NE 2.6Å; D395-R397 PolarHBondContact OD1-NE 3.26Å; D395-R397 IonicContact OD1-NH2 3.59Å; D395-R397 IonicContact OD2-CZ 3.46Å; D395-R397 VanDerWaalsContact OD2-CZ 3.31Å; D395-R397 IonicContact OD2-NE 3.92Å; D395-R397 PolarHBondContact OD2-NE 2.91Å; D395-R397 VanDerWaalsContact OD2-NE 3.15Å; D395-R397 IonicContact OD2-NH2 2.81Å; D395-R397 PolarHBondContact OD2-NH2 3.24Å; D395-F398 HydrophobicContact CB-CD2 3.94Å; D395-F398 PolarHBondContact O-N 3.17Å; D395-W464 HydrophobicContact CB-CH2 4.38Å; D395-W464 HydrophobicContact CB-CZ2 3.78Å
396P98.2Very high98.5Very high101 Ų10147.7 Ų47.766%0.65625%0.248SC*.THydrogen-bonded Turntrans-66.2-11.7-172.128.2-36.2000113.8F398 K414P396-F398 VanDerWaalsContact C-N 3.3Å; P396-K414 WeakPolarHBondContact O-CD 3.49Å; P396-K414 PolarHBondContact O-NZ 2.8Å
397R98.5Very high98.5Very high61 Ų6144.1 Ų44.123%0.2323%0.232CC..THydrogen-bonded Turntrans-73.7-23.1176.7-56.4175.7-66.7170.6-5.5112.4D395 L413 K414 D472 L475D395-R397 PolarHBondContact O-N 3.28Å; D395-R397 VanDerWaalsContact OD1-CB 3.26Å; D395-R397 WeakPolarHBondContact OD1-CB 3.15Å; D395-R397 VanDerWaalsContact OD1-CG 3.25Å; D395-R397 WeakPolarHBondContact OD1-CG 3.5Å; D395-R397 IonicContact OD1-CZ 2.65Å; D395-R397 PolarHBondContact OD1-N 3.27Å; D395-R397 VanDerWaalsContact OD1-N 3.09Å; D395-R397 IonicContact OD1-NE 2.6Å; D395-R397 PolarHBondContact OD1-NE 3.26Å; D395-R397 IonicContact OD1-NH2 3.59Å; D395-R397 IonicContact OD2-CZ 3.46Å; D395-R397 VanDerWaalsContact OD2-CZ 3.31Å; D395-R397 IonicContact OD2-NE 3.92Å; D395-R397 PolarHBondContact OD2-NE 2.91Å; D395-R397 VanDerWaalsContact OD2-NE 3.15Å; D395-R397 IonicContact OD2-NH2 2.81Å; D395-R397 PolarHBondContact OD2-NH2 3.24Å; R397-L413 HydrophobicContact CB-CD2 3.98Å; R397-K414 PolarHBondContact O-N 2.78Å; R397-D472 IonicContact CZ-OD1 2.79Å; R397-D472 IonicContact NH1-OD1 2.73Å; R397-D472 PolarHBondContact NH1-OD1 2.7Å; R397-D472 IonicContact NH2-OD1 3.83Å; R397-L475 HydrophobicContact CG-CD1 4.44Å
398F98.8Very high98.5Very high6 Ų642.3 Ų42.33%0.02622%0.224CC..EExtended strand (participates in β ladder)trans-104.2164.5-176.8-65.5-95.6000112.2V392 D395 P396 F411 R412 L413 K414 L423 W464 I467 A471V392-F398 HydrophobicContact CG1-CB 3.78Å; D395-F398 HydrophobicContact CB-CD2 3.94Å; D395-F398 PolarHBondContact O-N 3.17Å; P396-F398 VanDerWaalsContact C-N 3.3Å; F398-F411 AromaticContact CD1-CD2 3.82Å; F398-F411 HydrophobicContact CD1-CD2 3.82Å; F398-F411 HydrophobicContact CD1-CE2 4.13Å; F398-F411 HydrophobicContact CE1-CD2 4.18Å; F398-F411 HydrophobicContact CE1-CE2 4.01Å; F398-R412 CarbonylContact C-O 3.53Å; F398-R412 VanDerWaalsContact CA-O 3.25Å; F398-R412 WeakPolarHBondContact CA-O 3.32Å; F398-L413 HydrophobicContact CD1-CD2 3.79Å; F398-L413 HydrophobicContact CD1-CG 4.03Å; F398-L413 HydrophobicContact CD2-CD2 3.98Å; F398-L413 HydrophobicContact CE1-CD2 3.51Å; F398-L413 HydrophobicContact CE1-CG 3.64Å; F398-L413 HydrophobicContact CE2-CD2 3.71Å; F398-L413 HydrophobicContact CG-CD2 4.04Å; F398-L413 HydrophobicContact CZ-CD2 3.49Å; F398-L413 VanDerWaalsContact CZ-CD2 3.49Å; F398-L413 HydrophobicContact CZ-CG 4.04Å; F398-K414 VanDerWaalsContact O-CE 3.24Å; F398-K414 WeakPolarHBondContact O-CE 3.03Å; F398-L423 HydrophobicContact CE1-CD2 3.97Å; F398-L423 HydrophobicContact CZ-CD2 4.46Å; F398-W464 HydrophobicContact CD1-CH2 4.26Å; F398-W464 AromaticContact CD2-CH2 3.62Å; F398-W464 HydrophobicContact CD2-CH2 3.62Å; F398-W464 HydrophobicContact CD2-CZ2 4.34Å; F398-W464 HydrophobicContact CE1-CH2 4.31Å; F398-W464 HydrophobicContact CE1-CZ3 4.37Å; F398-W464 AromaticContact CE2-CH2 3.68Å; F398-W464 HydrophobicContact CE2-CH2 3.68Å; F398-W464 HydrophobicContact CE2-CZ2 4.4Å; F398-W464 HydrophobicContact CE2-CZ3 4.38Å; F398-W464 AromaticContact CG-CH2 3.9Å; F398-W464 HydrophobicContact CG-CH2 3.9Å; F398-W464 HydrophobicContact CZ-CH2 4.01Å; F398-W464 HydrophobicContact CZ-CZ3 4.26Å; F398-I467 HydrophobicContact CE1-CG2 4.2Å; F398-I467 HydrophobicContact CZ-CG2 4.08Å; F398-A471 HydrophobicContact CE2-CB 4.2Å; F398-A471 HydrophobicContact CZ-CB 3.62Å
399E98.6Very high98.5Very high53 Ų5342.3 Ų42.325%0.24822%0.224CC..EExtended strand (participates in β ladder)trans-140144.6171.463.1-176.4177.200110.8F411 R412 K414E399-F411 WeakPolarHBondContact O-CA 3.27Å; E399-R412 HydrophobicContact CG-CG 3.56Å; E399-R412 PolarHBondContact N-O 2.83Å; E399-R412 PolarHBondContact O-N 3.31Å; E399-R412 WeakPolarHBondContact OE1-CD 3.45Å; E399-R412 WeakPolarHBondContact OE1-CG 3.33Å; E399-R412 IonicContact OE1-CZ 3.43Å; E399-R412 IonicContact OE1-NE 3.78Å; E399-R412 IonicContact OE1-NH1 3.8Å; E399-R412 PolarHBondContact OE1-NH1 3.15Å; E399-K414 HydrophobicContact CB-CG 4.16Å; E399-K414 HydrophobicContact CG-CG 4.17Å
400I98.6Very high98.5Very high41 Ų4140.4 Ų40.421%0.2122%0.215CC..EExtended strand (participates in β ladder)trans-82132.3168.7-62.7-65.8000108.3E389 V392 L393 A402 V404 V409 F411E389-I400 HydrophobicContact CG-CD1 4.23Å; E389-I400 HydrophobicContact CG-CG1 4.38Å; V392-I400 HydrophobicContact CB-CD1 3.95Å; V392-I400 HydrophobicContact CG1-CD1 3.66Å; V392-I400 HydrophobicContact CG1-CG1 4.23Å; L393-I400 HydrophobicContact CD2-CG1 3.76Å; L393-I400 HydrophobicContact CG-CG1 4.01Å; I400-A402 WeakPolarHBondContact CG2-O 3.48Å; I400-V404 HydrophobicContact CG2-CG2 4.34Å; I400-V409 HydrophobicContact CD1-CG1 3.6Å; I400-F411 HydrophobicContact CD1-CB 4.23Å
401C98.2Very high98.5Very high28 Ų2837.7 Ų37.719%0.18920%0.196CC..  trans-102.6-13.3-169.6-61.30000114.2C410 R412 L440 V445C401-C410 HydrophobicContact CB-CB 4.36Å; C401-C410 PolarHBondContact N-O 2.95Å; C401-R412 WeakPolarHBondContact SG-CD 3.21Å; C401-R412 WeakPolarHBondContact SG-CG 3.37Å; C401-L440 HydrophobicContact CB-CD1 3.89Å; C401-V445 HydrophobicContact CB-CG1 3.87Å; C401-V445 HydrophobicContact CB-CG2 3.94Å
402A97.7Very high98.5Very high16 Ų1636.8 Ų36.813%0.13219%0.19CC..SBendtrans-155.8157177.100000109.4F215 C248 I400 V404 C410 L440F215-A402 HydrophobicContact CE2-CB 4.34Å; C248-A402 HydrophobicContact CB-CB 3.6Å; I400-A402 WeakPolarHBondContact CG2-O 3.48Å; A402-V404 PolarHBondContact O-N 3.45Å; A402-C410 HydrophobicContact CB-CB 4.34Å; A402-L440 HydrophobicContact CB-CD1 4.18Å
403E97.7Very high98.5Very high144 Ų14436.8 Ų36.867%0.67319%0.19SC*.  trans-57.6133.3176.9-174.7177.9172.100111.6T405E403-T405 PolarHBondContact O-N 3.48Å
404V98.6Very high98.5Very high7 Ų736.9 Ų36.94%0.04219%0.186CC..  trans-88.297.1176.3-178.50000108.7H386 E389 I400 A402 V409H386-V404 PolarHBondContact CE1-O 3.48Å; E389-V404 HydrophobicContact CB-CG2 4.13Å; E389-V404 HydrophobicContact CG-CB 4.4Å; E389-V404 HydrophobicContact CG-CG2 3.85Å; E389-V404 WeakPolarHBondContact OE1-CG2 3.46Å; I400-V404 HydrophobicContact CG2-CG2 4.34Å; A402-V404 PolarHBondContact O-N 3.45Å; V404-V409 HydrophobicContact CG1-CG2 3.86Å; V404-V409 HydrophobicContact CG2-CB 4.31Å; V404-V409 HydrophobicContact CG2-CG1 3.96Å; V404-V409 HydrophobicContact CG2-CG2 4Å
405T97.4Very high98.3Very high28 Ų2832.9 Ų32.917%0.17218%0.181CC..  trans-95.9-36-178.3-46.20000113.3F251 L287 E403F251-T405 HydrophobicContact CE2-CG2 3.73Å; F251-T405 HydrophobicContact CZ-CG2 4.24Å; L287-T405 HydrophobicContact CD1-CG2 3.78Å; L287-T405 HydrophobicContact CD2-CG2 4.19Å; E403-T405 PolarHBondContact O-N 3.48Å
406L98.8Very high98.2Very high1 Ų134.5 Ų34.51%0.00519%0.194CC..SBendtrans-135.2-145.7-174.4-65.9177.7000109.8F251 Y274 A275 A278 F284 W304 V382 S385 L408F251-L406 HydrophobicContact CZ-CD1 3.82Å; F251-L406 HydrophobicContact CZ-CG 4.39Å; Y274-L406 HydrophobicContact CE1-CB 4.23Å; Y274-L406 HydrophobicContact CE1-CD1 4.39Å; A275-L406 HydrophobicContact CB-CD1 3.61Å; A278-L406 HydrophobicContact CB-CD1 4.04Å; A278-L406 HydrophobicContact CB-CD2 3.79Å; F284-L406 HydrophobicContact CD1-CD2 3.97Å; F284-L406 HydrophobicContact CD2-CD2 4.32Å; F284-L406 HydrophobicContact CE1-CD2 4.15Å; F284-L406 HydrophobicContact CG-CD2 4.09Å; F284-L406 HydrophobicContact CZ-CD2 4.45Å; W304-L406 HydrophobicContact CH2-CB 4.06Å; W304-L406 HydrophobicContact CH2-CD2 4.49Å; W304-L406 HydrophobicContact CZ3-CB 4.2Å; W304-L406 HydrophobicContact CZ3-CD1 4.2Å; W304-L406 HydrophobicContact CZ3-CD2 4.48Å; V382-L406 HydrophobicContact CG2-CD2 4.04Å; S385-L406 VanDerWaalsContact CB-O 3.32Å; S385-L406 WeakPolarHBondContact CB-O 3.41Å; S385-L406 PolarHBondContact OG-O 2.99Å; L406-L408 PolarHBondContact O-N 2.8Å; L406-L408 VanDerWaalsContact O-N 3.13Å
407G98.6Very high98.3Very high0 Ų032 Ų320%018%0.175CC..SBendtrans-80.622.3-174.600000116Y274 A449 I450Y274-G407 WeakPolarHBondContact OH-CA 3.25Å; Y274-G407 PolarHBondContact OH-N 2.63Å; Y274-G407 VanDerWaalsContact OH-N 3.1Å; G407-A449 CarbonylContact O-C 3.57Å; G407-A449 WeakPolarHBondContact O-CA 3.34Å; G407-I450 PolarHBondContact O-N 3.29Å
408L98.9Very high98.2Very high4 Ų436.8 Ų36.82%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-125.2129.5179173.865000110.7F80 C249 L406 R447 A449F80-L408 HydrophobicContact CE1-CB 4.15Å; F80-L408 HydrophobicContact CE1-CD2 4.06Å; F80-L408 HydrophobicContact CZ-CD2 4.1Å; C249-L408 HydrophobicContact CB-CB 4.18Å; C249-L408 HydrophobicContact CB-CD2 3.83Å; L406-L408 PolarHBondContact O-N 2.8Å; L406-L408 VanDerWaalsContact O-N 3.13Å; L408-R447 HydrophobicContact CD1-CB 3.88Å; L408-R447 HydrophobicContact CD1-CG 4.33Å; L408-A449 HydrophobicContact CD1-CB 4.06Å
409V98.9Very high98.2Very high0 Ų036.6 Ų36.60%020%0.197CC..EExtended strand (participates in β ladder)trans-115.5128.5170.8-173.90000109.8S385 F388 E389 I400 V404 F448S385-V409 WeakPolarHBondContact O-CG2 3.4Å; F388-V409 HydrophobicContact CD1-CB 3.7Å; F388-V409 HydrophobicContact CD1-CG1 3.8Å; F388-V409 HydrophobicContact CD1-CG2 3.86Å; F388-V409 HydrophobicContact CE1-CB 4.11Å; F388-V409 HydrophobicContact CE1-CG1 4.05Å; E389-V409 HydrophobicContact CB-CG2 4.49Å; I400-V409 HydrophobicContact CD1-CG1 3.6Å; V404-V409 HydrophobicContact CG1-CG2 3.86Å; V404-V409 HydrophobicContact CG2-CB 4.31Å; V404-V409 HydrophobicContact CG2-CG1 3.96Å; V404-V409 HydrophobicContact CG2-CG2 4Å; V409-F448 HydrophobicContact CB-CB 4.48Å; V409-F448 PolarHBondContact N-O 2.86Å; V409-F448 PolarHBondContact O-N 3.36Å
410C98.8Very high98.2Very high3 Ų334.1 Ų34.12%0.0219%0.185CC..EExtended strand (participates in β ladder)trans-107.3116176.2-72.30000109.1T247 C401 A402 L440 V445 L446T247-C410 PolarHBondContact O-SG 2.84Å; C401-C410 HydrophobicContact CB-CB 4.36Å; C401-C410 PolarHBondContact N-O 2.95Å; A402-C410 HydrophobicContact CB-CB 4.34Å; C410-L440 HydrophobicContact CB-CD1 4.47Å; C410-V445 HydrophobicContact CB-CG1 3.76Å; C410-L446 WeakPolarHBondContact CA-O 3.18Å
411F98.9Very high98.2Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-142160.9-172.375.4-71.7000111.7F388 V392 F398 E399 I400 L435 V445 L446 F448 W464 I467F388-F411 AromaticContact CE1-CD1 3.84Å; F388-F411 HydrophobicContact CE1-CD1 3.84Å; F388-F411 AromaticContact CE1-CE1 3.91Å; F388-F411 HydrophobicContact CE1-CE1 3.91Å; F388-F411 HydrophobicContact CE1-CG 4.34Å; F388-F411 HydrophobicContact CE1-CZ 4.45Å; F388-F411 HydrophobicContact CZ-CD1 4.22Å; F388-F411 AromaticContact CZ-CE1 3.87Å; F388-F411 HydrophobicContact CZ-CE1 3.87Å; F388-F411 HydrophobicContact CZ-CE2 4.44Å; F388-F411 AromaticContact CZ-CZ 4Å; F388-F411 HydrophobicContact CZ-CZ 4Å; V392-F411 HydrophobicContact CG1-CB 4.02Å; V392-F411 HydrophobicContact CG1-CD2 4.48Å; V392-F411 HydrophobicContact CG2-CB 4.45Å; V392-F411 HydrophobicContact CG2-CD2 4.31Å; V392-F411 HydrophobicContact CG2-CG 4.35Å; F398-F411 AromaticContact CD1-CD2 3.82Å; F398-F411 HydrophobicContact CD1-CD2 3.82Å; F398-F411 HydrophobicContact CD1-CE2 4.13Å; F398-F411 HydrophobicContact CE1-CD2 4.18Å; F398-F411 HydrophobicContact CE1-CE2 4.01Å; E399-F411 WeakPolarHBondContact O-CA 3.27Å; I400-F411 HydrophobicContact CD1-CB 4.23Å; F411-L435 HydrophobicContact CZ-CD1 4.46Å; F411-V445 WeakPolarHBondContact O-CG1 3.38Å; F411-L446 HydrophobicContact CD1-CB 4.16Å; F411-L446 WeakPolarHBondContact CD1-O 3.38Å; F411-L446 HydrophobicContact CE1-CB 3.67Å; F411-L446 HydrophobicContact CE2-CB 4.45Å; F411-L446 HydrophobicContact CE2-CD2 4.39Å; F411-L446 HydrophobicContact CZ-CB 3.84Å; F411-L446 HydrophobicContact CZ-CD2 4Å; F411-L446 PolarHBondContact N-O 3.14Å; F411-L446 PolarHBondContact O-N 3.49Å; F411-F448 HydrophobicContact CD1-CB 4.46Å; F411-F448 HydrophobicContact CE1-CB 4.03Å; F411-W464 HydrophobicContact CE2-CZ3 4.23Å; F411-I467 HydrophobicContact CE2-CG2 4.03Å; F411-I467 HydrophobicContact CZ-CD1 4.06Å; F411-I467 HydrophobicContact CZ-CG2 4.35Å
412R98.8Very high98.2Very high13 Ų1336.6 Ų36.65%0.04920%0.199CC..EExtended strand (participates in β ladder)trans-154.4159.1176.371.6-167.9-68.8-97.4-1.3111.1F398 E399 C401 G415 N417 N420 F444F398-R412 CarbonylContact C-O 3.53Å; F398-R412 VanDerWaalsContact CA-O 3.25Å; F398-R412 WeakPolarHBondContact CA-O 3.32Å; E399-R412 HydrophobicContact CG-CG 3.56Å; E399-R412 PolarHBondContact N-O 2.83Å; E399-R412 PolarHBondContact O-N 3.31Å; E399-R412 WeakPolarHBondContact OE1-CD 3.45Å; E399-R412 WeakPolarHBondContact OE1-CG 3.33Å; E399-R412 IonicContact OE1-CZ 3.43Å; E399-R412 IonicContact OE1-NE 3.78Å; E399-R412 IonicContact OE1-NH1 3.8Å; E399-R412 PolarHBondContact OE1-NH1 3.15Å; C401-R412 WeakPolarHBondContact SG-CD 3.21Å; C401-R412 WeakPolarHBondContact SG-CG 3.37Å; R412-G415 PolarHBondContact NH1-O 3.2Å; R412-G415 PolarHBondContact NH2-O 3.02Å; R412-N417 PolarHBondContact NH2-OD1 3.33Å; R412-N417 VanDerWaalsContact NH2-OD1 3.14Å; R412-N420 VanDerWaalsContact CA-OD1 3.31Å; R412-N420 WeakPolarHBondContact CA-OD1 3.34Å; R412-N420 VanDerWaalsContact CB-OD1 3.25Å; R412-N420 WeakPolarHBondContact CB-OD1 3.16Å; R412-F444 PolarHBondContact NE-O 2.9Å; R412-F444 VanDerWaalsContact NE-O 3.12Å
413L98.6Very high98.2Very high1 Ų135.8 Ų35.81%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-66.1136.6160.4-76.8172000109.4R397 F398 G415 V419 N420 L423 A471 L475R397-L413 HydrophobicContact CB-CD2 3.98Å; F398-L413 HydrophobicContact CD1-CD2 3.79Å; F398-L413 HydrophobicContact CD1-CG 4.03Å; F398-L413 HydrophobicContact CD2-CD2 3.98Å; F398-L413 HydrophobicContact CE1-CD2 3.51Å; F398-L413 HydrophobicContact CE1-CG 3.64Å; F398-L413 HydrophobicContact CE2-CD2 3.71Å; F398-L413 HydrophobicContact CG-CD2 4.04Å; F398-L413 HydrophobicContact CZ-CD2 3.49Å; F398-L413 VanDerWaalsContact CZ-CD2 3.49Å; F398-L413 HydrophobicContact CZ-CG 4.04Å; L413-G415 PolarHBondContact O-N 2.96Å; L413-V419 HydrophobicContact CB-CG1 4Å; L413-V419 HydrophobicContact CD1-CG1 3.52Å; L413-V419 HydrophobicContact CG-CG1 4.41Å; L413-N420 PolarHBondContact N-OD1 3.31Å; L413-N420 PolarHBondContact O-ND2 2.83Å; L413-L423 HydrophobicContact CD1-CB 4.35Å; L413-L423 HydrophobicContact CD1-CD2 3.73Å; L413-L423 HydrophobicContact CG-CD2 3.94Å; L413-A471 HydrophobicContact CD1-CB 4.14Å; L413-A471 HydrophobicContact CD2-CB 4.19Å; L413-L475 HydrophobicContact CD1-CD2 4.49Å; L413-L475 HydrophobicContact CD1-CG 4.44Å; L413-L475 HydrophobicContact CD2-CD1 4.21Å
414K97.9Very high98.3Very high113 Ų11329.6 Ų29.649%0.49116%0.164SC..SBendtrans-62128.9169.5-69.7175.3-177.9158.70108.8P396 R397 F398 E399P396-K414 WeakPolarHBondContact O-CD 3.49Å; P396-K414 PolarHBondContact O-NZ 2.8Å; R397-K414 PolarHBondContact O-N 2.78Å; F398-K414 VanDerWaalsContact O-CE 3.24Å; F398-K414 WeakPolarHBondContact O-CE 3.03Å; E399-K414 HydrophobicContact CB-CG 4.16Å; E399-K414 HydrophobicContact CG-CG 4.17Å
415G95.5Very high98.3Very high51 Ų5135.7 Ų35.753%0.52619%0.192SC..SBendtrans133.6-151.7-176.700000112.5R412 L413R412-G415 PolarHBondContact NH1-O 3.2Å; R412-G415 PolarHBondContact NH2-O 3.02Å; L413-G415 PolarHBondContact O-N 2.96Å
416S97.1Very high98.3Very high54 Ų5438.8 Ų38.838%0.37820%0.2SC..  trans-76.5161.9-174.478.20000112.7K418 V419 N420S416-K418 VanDerWaalsContact C-N 3.26Å; S416-K418 PolarHBondContact O-N 3.36Å; S416-K418 PolarHBondContact OG-N 3.04Å; S416-V419 PolarHBondContact O-N 3.18Å; S416-V419 PolarHBondContact OG-N 3.31Å; S416-N420 PolarHBondContact O-ND2 3.12Å; S416-N420 VanDerWaalsContact O-ND2 3.09Å
417N98.5Very high98.2Very high47 Ų4738.7 Ų38.725%0.25120%0.2SC..Hα-helixtrans-62.7-35.2171.2-71.4-12.1000111.8R412 V419 N420 E421 D442 F444R412-N417 PolarHBondContact NH2-OD1 3.33Å; R412-N417 VanDerWaalsContact NH2-OD1 3.14Å; N417-V419 VanDerWaalsContact C-N 3.29Å; N417-V419 PolarHBondContact O-N 3.27Å; N417-N420 PolarHBondContact O-N 3.22Å; N417-E421 WeakPolarHBondContact O-CG 3.08Å; N417-E421 PolarHBondContact O-N 3.03Å; N417-D442 PolarHBondContact ND2-O 3.33Å; N417-F444 HydrophobicContact CB-CB 3.73Å; N417-F444 PolarHBondContact OD1-N 3.28Å
418K98.1Very high98.2Very high162 Ų16240.2 Ų40.270%0.70421%0.208SC*.Hα-helixtrans-58.3-38.8179.6-65.9-176.2176.3-178.20113S416 N420 E421 A422S416-K418 VanDerWaalsContact C-N 3.26Å; S416-K418 PolarHBondContact O-N 3.36Å; S416-K418 PolarHBondContact OG-N 3.04Å; K418-N420 VanDerWaalsContact C-N 3.3Å; K418-N420 PolarHBondContact O-N 3.18Å; K418-E421 PolarHBondContact O-N 2.88Å; K418-A422 WeakPolarHBondContact O-CB 3.34Å; K418-A422 PolarHBondContact O-N 3.14Å
419V98Very high98.1Very high3 Ų343.5 Ų43.52%0.01823%0.231CC..Hα-helixtrans-62-41.1175.8172.80000111.5L413 S416 N417 A422 L423 V474 L475 E478L413-V419 HydrophobicContact CB-CG1 4Å; L413-V419 HydrophobicContact CD1-CG1 3.52Å; L413-V419 HydrophobicContact CG-CG1 4.41Å; S416-V419 PolarHBondContact O-N 3.18Å; S416-V419 PolarHBondContact OG-N 3.31Å; N417-V419 VanDerWaalsContact C-N 3.29Å; N417-V419 PolarHBondContact O-N 3.27Å; V419-A422 PolarHBondContact O-N 3.27Å; V419-L423 WeakPolarHBondContact O-CB 3.4Å; V419-L423 PolarHBondContact O-N 3.13Å; V419-V474 HydrophobicContact CG1-CG1 3.94Å; V419-L475 HydrophobicContact CG1-CD2 4.37Å; V419-E478 HydrophobicContact CG2-CG 4.16Å; V419-E478 WeakPolarHBondContact CG2-OE1 3.38Å; V419-E478 WeakPolarHBondContact CG2-OE2 3.06Å
420N98.6Very high97.9Very high0 Ų045.6 Ų45.60%025%0.248CC..Hα-helixtrans-75.4-35.9-178.8-74.2-77.5000112.2R412 L413 S416 N417 K418 L423 L424 F444 L446R412-N420 VanDerWaalsContact CA-OD1 3.31Å; R412-N420 WeakPolarHBondContact CA-OD1 3.34Å; R412-N420 VanDerWaalsContact CB-OD1 3.25Å; R412-N420 WeakPolarHBondContact CB-OD1 3.16Å; L413-N420 PolarHBondContact N-OD1 3.31Å; L413-N420 PolarHBondContact O-ND2 2.83Å; S416-N420 PolarHBondContact O-ND2 3.12Å; S416-N420 VanDerWaalsContact O-ND2 3.09Å; N417-N420 PolarHBondContact O-N 3.22Å; K418-N420 VanDerWaalsContact C-N 3.3Å; K418-N420 PolarHBondContact O-N 3.18Å; N420-L423 PolarHBondContact O-N 3.29Å; N420-L424 WeakPolarHBondContact O-CB 3.3Å; N420-L424 PolarHBondContact O-N 2.87Å; N420-F444 HydrophobicContact CB-CD1 3.73Å; N420-F444 HydrophobicContact CB-CE1 4.32Å; N420-L446 HydrophobicContact CB-CD1 3.91Å
421E98.6Very high97.7Very high88 Ų8847.5 Ų47.541%0.41126%0.256SS..Hα-helixtrans-59.5-47.2169-71.7165.6-160.700110.8N417 K418 L424 Q425 F444N417-E421 WeakPolarHBondContact O-CG 3.08Å; N417-E421 PolarHBondContact O-N 3.03Å; K418-E421 PolarHBondContact O-N 2.88Å; E421-L424 PolarHBondContact O-N 3.41Å; E421-Q425 WeakPolarHBondContact O-CB 3.26Å; E421-Q425 PolarHBondContact O-N 3.12Å; E421-F444 HydrophobicContact CB-CZ 4.41Å; E421-F444 HydrophobicContact CG-CD1 4.12Å; E421-F444 HydrophobicContact CG-CD2 3.79Å; E421-F444 HydrophobicContact CG-CE1 3.97Å; E421-F444 HydrophobicContact CG-CE2 3.64Å; E421-F444 HydrophobicContact CG-CG 4.02Å; E421-F444 HydrophobicContact CG-CZ 3.7Å
422A98.3Very high97.6Very high33 Ų3353.7 Ų53.727%0.27328%0.283SS..Hα-helixtrans-63-42.7177.100000112.3K418 V419 Q425 R426 V474K418-A422 WeakPolarHBondContact O-CB 3.34Å; K418-A422 PolarHBondContact O-N 3.14Å; V419-A422 PolarHBondContact O-N 3.27Å; A422-Q425 PolarHBondContact O-N 3.1Å; A422-R426 WeakPolarHBondContact O-CG 3.46Å; A422-R426 PolarHBondContact O-N 2.99Å; A422-V474 HydrophobicContact CB-CG1 4.24Å
423L98.7Very high97.6Very high0 Ų053.2 Ų53.20%028%0.282CS..Hα-helixtrans-60.4-50175.3176.860.6000111.3F398 L413 V419 N420 Q425 R426 I427 L446 L470 A471 V474F398-L423 HydrophobicContact CE1-CD2 3.97Å; F398-L423 HydrophobicContact CZ-CD2 4.46Å; L413-L423 HydrophobicContact CD1-CB 4.35Å; L413-L423 HydrophobicContact CD1-CD2 3.73Å; L413-L423 HydrophobicContact CG-CD2 3.94Å; V419-L423 WeakPolarHBondContact O-CB 3.4Å; V419-L423 PolarHBondContact O-N 3.13Å; N420-L423 PolarHBondContact O-N 3.29Å; L423-Q425 VanDerWaalsContact C-N 3.32Å; L423-Q425 PolarHBondContact O-N 3.14Å; L423-R426 PolarHBondContact O-N 3.17Å; L423-I427 HydrophobicContact CD1-CD1 3.9Å; L423-I427 HydrophobicContact CD1-CG1 4.19Å; L423-I427 HydrophobicContact CD2-CD1 4.46Å; L423-I427 HydrophobicContact CG-CD1 3.77Å; L423-I427 HydrophobicContact CG-CG1 4.48Å; L423-I427 VanDerWaalsContact O-CG1 3.3Å; L423-I427 WeakPolarHBondContact O-CG1 3.44Å; L423-I427 PolarHBondContact O-N 2.83Å; L423-L446 HydrophobicContact CD2-CD2 4.04Å; L423-L446 HydrophobicContact CG-CD2 4.18Å; L423-L470 HydrophobicContact CD1-CB 3.97Å; L423-A471 HydrophobicContact CD1-CB 4.13Å; L423-V474 HydrophobicContact CB-CG2 4.39Å
424L98.6Very high97.5Very high14 Ų1453.6 Ų53.67%0.07328%0.283CS..Hα-helixtrans-59.8-44178178.970.1000111.5N420 E421 R426 I427 N428 L435 P437 F444 L446N420-L424 WeakPolarHBondContact O-CB 3.3Å; N420-L424 PolarHBondContact O-N 2.87Å; E421-L424 PolarHBondContact O-N 3.41Å; L424-R426 VanDerWaalsContact C-N 3.32Å; L424-R426 PolarHBondContact O-N 3.48Å; L424-I427 PolarHBondContact O-N 3.2Å; L424-N428 PolarHBondContact O-N 3.24Å; L424-L435 HydrophobicContact CD1-CB 3.66Å; L424-P437 HydrophobicContact CD2-CB 3.75Å; L424-P437 HydrophobicContact CD2-CG 3.52Å; L424-F444 HydrophobicContact CB-CE1 4.43Å; L424-F444 HydrophobicContact CD2-CE1 4.2Å; L424-F444 HydrophobicContact CD2-CZ 3.81Å; L424-L446 HydrophobicContact CB-CD2 4.36Å; L424-L446 HydrophobicContact CB-CG 4.3Å; L424-L446 HydrophobicContact CD1-CD2 4.45Å; L424-L446 HydrophobicContact CD1-CG 4.32Å
425Q98.1Very high97.6Very high134 Ų13448.2 Ų48.263%0.62626%0.26SS*.Hα-helixtrans-58.6-45.6177.8-176.3-178.50.400110.8E421 A422 L423 S429E421-Q425 WeakPolarHBondContact O-CB 3.26Å; E421-Q425 PolarHBondContact O-N 3.12Å; A422-Q425 PolarHBondContact O-N 3.1Å; L423-Q425 VanDerWaalsContact C-N 3.32Å; L423-Q425 PolarHBondContact O-N 3.14Å; Q425-S429 VanDerWaalsContact O-CB 3.22Å; Q425-S429 WeakPolarHBondContact O-CB 3.31Å; Q425-S429 PolarHBondContact O-N 3.02Å; Q425-S429 PolarHBondContact O-OG 3.1Å
426R97.9Very high97.7Very high93 Ų9346.7 Ų46.735%0.35124%0.241SC..Hα-helixtrans-64.7-42.1177.5-71.2-170-169.8-154.34.5112.4A422 L423 L424 S429 A430 L470 V474A422-R426 WeakPolarHBondContact O-CG 3.46Å; A422-R426 PolarHBondContact O-N 2.99Å; L423-R426 PolarHBondContact O-N 3.17Å; L424-R426 VanDerWaalsContact C-N 3.32Å; L424-R426 PolarHBondContact O-N 3.48Å; R426-S429 PolarHBondContact O-N 3.1Å; R426-A430 WeakPolarHBondContact O-CB 3.31Å; R426-A430 PolarHBondContact O-N 2.93Å; R426-L470 HydrophobicContact CB-CD1 4.37Å; R426-L470 HydrophobicContact CB-CD2 4.35Å; R426-V474 HydrophobicContact CG-CG2 4.46Å
427I98.1Very high97.7Very high0 Ų046.6 Ų46.60%024%0.239CC..Hα-helixtrans-57.5-53.4176.7-71164.5000110.5L423 L424 S429 A430 K431 I433 L435 L446 I467 L470L423-I427 HydrophobicContact CD1-CD1 3.9Å; L423-I427 HydrophobicContact CD1-CG1 4.19Å; L423-I427 HydrophobicContact CD2-CD1 4.46Å; L423-I427 HydrophobicContact CG-CD1 3.77Å; L423-I427 HydrophobicContact CG-CG1 4.48Å; L423-I427 VanDerWaalsContact O-CG1 3.3Å; L423-I427 WeakPolarHBondContact O-CG1 3.44Å; L423-I427 PolarHBondContact O-N 2.83Å; L424-I427 PolarHBondContact O-N 3.2Å; I427-S429 VanDerWaalsContact C-N 3.35Å; I427-S429 PolarHBondContact O-N 3.44Å; I427-A430 PolarHBondContact O-N 2.93Å; I427-K431 PolarHBondContact O-N 3.45Å; I427-I433 HydrophobicContact CG2-CD1 3.73Å; I427-I433 HydrophobicContact CG2-CG1 3.43Å; I427-I433 VanDerWaalsContact CG2-CG1 3.43Å; I427-L435 HydrophobicContact CD1-CD1 3.94Å; I427-L435 HydrophobicContact CG2-CD1 4.01Å; I427-L435 HydrophobicContact CG2-CG 4.17Å; I427-L446 HydrophobicContact CD1-CD2 3.86Å; I427-I467 HydrophobicContact CD1-CG1 3.95Å; I427-I467 HydrophobicContact CD1-CG2 4.41Å; I427-I467 HydrophobicContact CG1-CG1 4.5Å; I427-L470 HydrophobicContact CB-CD1 4.18Å; I427-L470 HydrophobicContact CG1-CD1 3.62Å
428N97.3Very high97.7Very high32 Ų3245.1 Ų45.117%0.17123%0.232CC..Hα-helixtrans-70.4-31.2-177.7-76.9-27000112.5L424 K431 H434 L435L424-N428 PolarHBondContact O-N 3.24Å; N428-K431 WeakPolarHBondContact O-CG 3.29Å; N428-K431 PolarHBondContact O-N 3.36Å; N428-H434 PolarHBondContact OD1-ND1 2.8Å; N428-L435 PolarHBondContact ND2-O 3.27Å; N428-L435 PolarHBondContact OD1-N 3.25Å; N428-L435 PolarHBondContact OD1-O 2.9Å
429S96.1Very high97.6Very high73 Ų7342.3 Ų42.351%0.5122%0.221SC..Hα-helixtrans-70.2-32.4175.4-580000112.4Q425 R426 I427 K431Q425-S429 VanDerWaalsContact O-CB 3.22Å; Q425-S429 WeakPolarHBondContact O-CB 3.31Å; Q425-S429 PolarHBondContact O-N 3.02Å; Q425-S429 PolarHBondContact O-OG 3.1Å; R426-S429 PolarHBondContact O-N 3.1Å; I427-S429 VanDerWaalsContact C-N 3.35Å; I427-S429 PolarHBondContact O-N 3.44Å; S429-K431 PolarHBondContact O-N 2.77Å
430A96.1Very high97.5Very high43 Ų4342.4 Ų42.436%0.35522%0.221SC..Hα-helixtrans-70.6-18.1174.200000112.7R426 I427 K432 L470R426-A430 WeakPolarHBondContact O-CB 3.31Å; R426-A430 PolarHBondContact O-N 2.93Å; I427-A430 PolarHBondContact O-N 2.93Å; A430-K432 PolarHBondContact O-N 2.66Å; A430-L470 HydrophobicContact CB-CD1 4.37Å
431K94.9Very high97.2Very high44 Ų4449.4 Ų49.419%0.19125%0.248CC..  trans58.67.3172-62.7153.6172.3160.70115.8Q28 D32 I427 N428 S429Q28-K431 HydrophobicContact CG-CB 3.73Å; D32-K431 HydrophobicContact CB-CD 4.43Å; D32-K431 IonicContact OD1-NZ 3.37Å; D32-K431 PolarHBondContact OD1-NZ 2.87Å; D32-K431 IonicContact OD2-NZ 2.69Å; D32-K431 PolarHBondContact OD2-NZ 3.08Å; I427-K431 PolarHBondContact O-N 3.45Å; N428-K431 WeakPolarHBondContact O-CG 3.29Å; N428-K431 PolarHBondContact O-N 3.36Å; S429-K431 PolarHBondContact O-N 2.77Å
432K95.7Very high97Very high130 Ų13051 Ų5157%0.56526%0.259SS*.SBendtrans-73.2-37176.6-65.9-168.9-177.3177.10112.4Y75 A430Y75-K432 WeakPolarHBondContact CB-O 3.45Å; A430-K432 PolarHBondContact O-N 2.66Å
433I98.2Very high96.9Very high3 Ų353.8 Ų53.82%0.01527%0.265CS..SBendtrans-132.8163172.269.4177.5000108.7Y75 F77 I427 L435 A463 I467Y75-I433 HydrophobicContact CD1-CG2 4.04Å; Y75-I433 HydrophobicContact CG-CG2 4.41Å; Y75-I433 WeakPolarHBondContact O-CA 3.17Å; F77-I433 HydrophobicContact CD2-CB 4.29Å; F77-I433 HydrophobicContact CD2-CG2 4.49Å; F77-I433 HydrophobicContact CE2-CG2 4.31Å; I427-I433 HydrophobicContact CG2-CD1 3.73Å; I427-I433 HydrophobicContact CG2-CG1 3.43Å; I427-I433 VanDerWaalsContact CG2-CG1 3.43Å; I433-L435 HydrophobicContact CD1-CD1 4.24Å; I433-L435 HydrophobicContact CD1-CG 4.28Å; I433-A463 HydrophobicContact CD1-CB 4.36Å; I433-A463 HydrophobicContact CG2-CB 3.98Å; I433-I467 HydrophobicContact CD1-CD1 3.92Å; I433-I467 HydrophobicContact CD1-CG1 3.81Å
434H98.4Very high96.9Very high8 Ų854.5 Ų54.54%0.03727%0.268CS..BIsolated β-bridgetrans-124125.8174.5-173.443.5000111.4V29 Y30 Y75 F76 F77 A78 N428V29-H434 HydrophobicContact CG1-CB 3.89Å; Y30-H434 AromaticContact CD2-CE1 3.68Å; Y30-H434 AromaticContact CD2-ND1 3.89Å; Y30-H434 AromaticContact CD2-NE2 3.83Å; Y30-H434 AromaticContact CE2-CE1 3.89Å; Y75-H434 PolarHBondContact O-N 2.72Å; Y75-H434 VanDerWaalsContact O-N 3.15Å; F76-H434 HydrophobicContact CD2-CB 4.5Å; F76-H434 AromaticContact CE2-CD2 3.81Å; F77-H434 CarbonylContact C-O 3.29Å; F77-H434 VanDerWaalsContact C-O 3.29Å; F77-H434 WeakPolarHBondContact CA-O 3.26Å; F77-H434 PolarHBondContact N-O 2.97Å; A78-H434 WeakPolarHBondContact CB-CD2 3.15Å; A78-H434 PolarHBondContact N-O 3.08Å; N428-H434 PolarHBondContact OD1-ND1 2.8Å
435L98.4Very high96.9Very high0 Ų053.9 Ų53.90%027%0.265CS..  trans-126.7157.6176.2-56.7179.3000110.3F77 F411 L424 I427 N428 I433 L446 R447 F448 I467F77-L435 HydrophobicContact CB-CD2 3.46Å; F77-L435 VanDerWaalsContact CB-CD2 3.46Å; F77-L435 HydrophobicContact CG-CD2 4.45Å; F411-L435 HydrophobicContact CZ-CD1 4.46Å; L424-L435 HydrophobicContact CD1-CB 3.66Å; I427-L435 HydrophobicContact CD1-CD1 3.94Å; I427-L435 HydrophobicContact CG2-CD1 4.01Å; I427-L435 HydrophobicContact CG2-CG 4.17Å; N428-L435 PolarHBondContact ND2-O 3.27Å; N428-L435 PolarHBondContact OD1-N 3.25Å; N428-L435 PolarHBondContact OD1-O 2.9Å; I433-L435 HydrophobicContact CD1-CD1 4.24Å; I433-L435 HydrophobicContact CD1-CG 4.28Å; L435-L446 HydrophobicContact CD1-CD2 4.25Å; L435-R447 WeakPolarHBondContact CD2-O 3.17Å; L435-F448 HydrophobicContact CD2-CD2 3.79Å; L435-F448 HydrophobicContact CD2-CE2 4.49Å; L435-I467 HydrophobicContact CD1-CD1 4.32Å
436V97.7Very high97Very high20 Ų2047.5 Ų47.512%0.12124%0.235CC..EExtended strand (participates in β ladder)trans-129.8153.6167.3-660000109.9A78 Y79 R447A78-V436 HydrophobicContact CB-CB 4.46Å; A78-V436 HydrophobicContact CB-CG1 3.86Å; A78-V436 HydrophobicContact CB-CG2 4.09Å; A78-V436 WeakPolarHBondContact O-CG2 3.43Å; Y79-V436 HydrophobicContact CD1-CG2 3.99Å; Y79-V436 HydrophobicContact CE1-CG1 3.96Å; Y79-V436 HydrophobicContact CE1-CG2 4.13Å; Y79-V436 HydrophobicContact CE2-CG1 4.49Å; V436-R447 WeakPolarHBondContact O-CB 3.31Å; V436-R447 PolarHBondContact O-N 3.43Å
437P98.2Very high97Very high52 Ų5243.4 Ų43.434%0.33822%0.219SC..EExtended strand (participates in β ladder)trans-88.6171.5-179.633.1-24.5000112L424 F444 V445L424-P437 HydrophobicContact CD2-CB 3.75Å; L424-P437 HydrophobicContact CD2-CG 3.52Å; P437-F444 HydrophobicContact CB-CD1 4.38Å; P437-F444 HydrophobicContact CB-CD2 4.33Å; P437-F444 HydrophobicContact CB-CE1 3.65Å; P437-F444 HydrophobicContact CB-CE2 3.56Å; P437-F444 HydrophobicContact CB-CZ 3.19Å; P437-F444 HydrophobicContact CG-CE1 4.46Å; P437-F444 HydrophobicContact CG-CE2 3.81Å; P437-F444 HydrophobicContact CG-CZ 3.58Å; P437-V445 CarbonylContact C-O 3.52Å; P437-V445 WeakPolarHBondContact CA-O 3.22Å
438C97.7Very high97.1Very high15 Ų1543.4 Ų43.410%0.10122%0.219CC..EExtended strand (participates in β ladder)trans-138.8174154.565.10000110.3T247 V445 R447T247-C438 HydrophobicContact CG2-CB 4.29Å; T247-C438 PolarHBondContact O-SG 3.48Å; T247-C438 VanDerWaalsContact O-SG 3.4Å; C438-V445 PolarHBondContact N-O 2.83Å; C438-V445 PolarHBondContact O-N 3.34Å; C438-R447 HydrophobicContact CB-CG 4.4Å
439H96.9Very high97.1Very high104 Ų10441.9 Ų41.948%0.48121%0.211SC..EExtended strand (participates in β ladder)trans-106.4128.3165.5-74.483000109.4K443 F444H439-K443 WeakPolarHBondContact CA-O 3.45Å; H439-F444 AromaticContact CE1-CD2 3.74Å; H439-F444 AromaticContact NE2-CD2 3.8Å
440L95.7Very high97.2Very high5 Ų538.4 Ų38.43%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-107.496.3166.7-63.3-174.7000107.3F215 C248 C401 A402 C410 D442 K443 V445F215-L440 HydrophobicContact CE1-CB 3.92Å; F215-L440 HydrophobicContact CE1-CD2 4.27Å; F215-L440 HydrophobicContact CE2-CD1 4.19Å; F215-L440 HydrophobicContact CZ-CB 3.78Å; F215-L440 HydrophobicContact CZ-CD1 4.1Å; F215-L440 HydrophobicContact CZ-CD2 4.37Å; F215-L440 HydrophobicContact CZ-CG 4.3Å; C248-L440 HydrophobicContact CB-CD1 4.04Å; C248-L440 HydrophobicContact CB-CD2 3.79Å; C401-L440 HydrophobicContact CB-CD1 3.89Å; A402-L440 HydrophobicContact CB-CD1 4.18Å; C410-L440 HydrophobicContact CB-CD1 4.47Å; L440-D442 PolarHBondContact O-N 3.13Å; L440-K443 PolarHBondContact N-O 3.24Å; L440-K443 PolarHBondContact O-N 3.32Å; L440-K443 VanDerWaalsContact O-N 3.1Å; L440-V445 HydrophobicContact CB-CG2 4.22Å; L440-V445 HydrophobicContact CD1-CG2 4.1Å; L440-V445 HydrophobicContact CG-CG2 4.06Å
441R91.9Very high97.3Very high147 Ų14736.5 Ų36.556%0.55517%0.171SC*.THydrogen-bonded Turntrans55.7-114.9-164.6-59.6171.6-177.7148.33.5110.3D212 F215D212-R441 PolarHBondContact O-NH2 2.93Å; F215-R441 HydrophobicContact CE1-CG 4.26Å
442D94.3Very high97.4Very high122 Ų12234.6 Ų34.665%0.65216%0.164SC*.THydrogen-bonded Turntrans-91.6-2-178.763.9-39.1000113.7N417 L440N417-D442 PolarHBondContact ND2-O 3.33Å; L440-D442 PolarHBondContact O-N 3.13Å
443K97.2Very high97.4Very high90 Ų9032 Ų3239%0.39115%0.15SC..EExtended strand (participates in β ladder)trans-96.5127.6-177.8-62.1-174.1179.2-173.80111.9H439 L440 V445H439-K443 WeakPolarHBondContact CA-O 3.45Å; L440-K443 PolarHBondContact N-O 3.24Å; L440-K443 PolarHBondContact O-N 3.32Å; L440-K443 VanDerWaalsContact O-N 3.1Å; K443-V445 HydrophobicContact CB-CG2 4.25Å
444F98.6Very high97.3Very high16 Ų1634.3 Ų34.37%0.0717%0.165CC..EExtended strand (participates in β ladder)trans-78.8126.8167.3-172.5-82.2000109.6R412 N417 N420 E421 L424 P437 H439 L446R412-F444 PolarHBondContact NE-O 2.9Å; R412-F444 VanDerWaalsContact NE-O 3.12Å; N417-F444 HydrophobicContact CB-CB 3.73Å; N417-F444 PolarHBondContact OD1-N 3.28Å; N420-F444 HydrophobicContact CB-CD1 3.73Å; N420-F444 HydrophobicContact CB-CE1 4.32Å; E421-F444 HydrophobicContact CB-CZ 4.41Å; E421-F444 HydrophobicContact CG-CD1 4.12Å; E421-F444 HydrophobicContact CG-CD2 3.79Å; E421-F444 HydrophobicContact CG-CE1 3.97Å; E421-F444 HydrophobicContact CG-CE2 3.64Å; E421-F444 HydrophobicContact CG-CG 4.02Å; E421-F444 HydrophobicContact CG-CZ 3.7Å; L424-F444 HydrophobicContact CB-CE1 4.43Å; L424-F444 HydrophobicContact CD2-CE1 4.2Å; L424-F444 HydrophobicContact CD2-CZ 3.81Å; P437-F444 HydrophobicContact CB-CD1 4.38Å; P437-F444 HydrophobicContact CB-CD2 4.33Å; P437-F444 HydrophobicContact CB-CE1 3.65Å; P437-F444 HydrophobicContact CB-CE2 3.56Å; P437-F444 HydrophobicContact CB-CZ 3.19Å; P437-F444 HydrophobicContact CG-CE1 4.46Å; P437-F444 HydrophobicContact CG-CE2 3.81Å; P437-F444 HydrophobicContact CG-CZ 3.58Å; H439-F444 AromaticContact CE1-CD2 3.74Å; H439-F444 AromaticContact NE2-CD2 3.8Å; F444-L446 HydrophobicContact CD1-CD1 4.39Å; F444-L446 HydrophobicContact CE1-CD1 4.17Å
445V98.4Very high97.3Very high0 Ų034 Ų340%016%0.163CC..EExtended strand (participates in β ladder)trans-133139.6-170.3-178.20000110.2C401 C410 F411 P437 C438 L440 K443C401-V445 HydrophobicContact CB-CG1 3.87Å; C401-V445 HydrophobicContact CB-CG2 3.94Å; C410-V445 HydrophobicContact CB-CG1 3.76Å; F411-V445 WeakPolarHBondContact O-CG1 3.38Å; P437-V445 CarbonylContact C-O 3.52Å; P437-V445 WeakPolarHBondContact CA-O 3.22Å; C438-V445 PolarHBondContact N-O 2.83Å; C438-V445 PolarHBondContact O-N 3.34Å; L440-V445 HydrophobicContact CB-CG2 4.22Å; L440-V445 HydrophobicContact CD1-CG2 4.1Å; L440-V445 HydrophobicContact CG-CG2 4.06Å; K443-V445 HydrophobicContact CB-CG2 4.25Å
446L98.8Very high97.3Very high0 Ų038.2 Ų38.20%018%0.183CC..EExtended strand (participates in β ladder)trans-87.3139.2172.4-74.568.7000109.3C410 F411 N420 L423 L424 I427 L435 F444C410-L446 WeakPolarHBondContact CA-O 3.18Å; F411-L446 HydrophobicContact CD1-CB 4.16Å; F411-L446 WeakPolarHBondContact CD1-O 3.38Å; F411-L446 HydrophobicContact CE1-CB 3.67Å; F411-L446 HydrophobicContact CE2-CB 4.45Å; F411-L446 HydrophobicContact CE2-CD2 4.39Å; F411-L446 HydrophobicContact CZ-CB 3.84Å; F411-L446 HydrophobicContact CZ-CD2 4Å; F411-L446 PolarHBondContact N-O 3.14Å; F411-L446 PolarHBondContact O-N 3.49Å; N420-L446 HydrophobicContact CB-CD1 3.91Å; L423-L446 HydrophobicContact CD2-CD2 4.04Å; L423-L446 HydrophobicContact CG-CD2 4.18Å; L424-L446 HydrophobicContact CB-CD2 4.36Å; L424-L446 HydrophobicContact CB-CG 4.3Å; L424-L446 HydrophobicContact CD1-CD2 4.45Å; L424-L446 HydrophobicContact CD1-CG 4.32Å; I427-L446 HydrophobicContact CD1-CD2 3.86Å; L435-L446 HydrophobicContact CD1-CD2 4.25Å; F444-L446 HydrophobicContact CD1-CD1 4.39Å; F444-L446 HydrophobicContact CE1-CD1 4.17Å
447R98.8Very high97.4Very high7 Ų739.2 Ų39.23%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-108.2129.6178-66.8172.368.2-95.4-3110A78 Y79 T246 T247 L408 L435 V436 C438A78-R447 PolarHBondContact O-NH1 3.03Å; Y79-R447 PolarHBondContact O-NH2 3.16Å; T246-R447 VanDerWaalsContact O-CZ 3.3Å; T246-R447 PolarHBondContact O-NE 3.44Å; T246-R447 VanDerWaalsContact O-NE 3.07Å; T246-R447 PolarHBondContact O-NH2 3.28Å; T247-R447 WeakPolarHBondContact O-CD 3.41Å; T247-R447 PolarHBondContact O-NE 2.92Å; L408-R447 HydrophobicContact CD1-CB 3.88Å; L408-R447 HydrophobicContact CD1-CG 4.33Å; L435-R447 WeakPolarHBondContact CD2-O 3.17Å; V436-R447 WeakPolarHBondContact O-CB 3.31Å; V436-R447 PolarHBondContact O-N 3.43Å; C438-R447 HydrophobicContact CB-CG 4.4Å
448F98.8Very high97.4Very high0 Ų039.2 Ų39.20%020%0.195CC..EExtended strand (participates in β ladder)trans-118.299174.1-167.2-86.8000109.5F77 F388 V409 F411 L435 I450 V460 A463 I467F77-F448 HydrophobicContact CB-CD2 4Å; F77-F448 HydrophobicContact CB-CE2 4.1Å; F77-F448 HydrophobicContact CB-CG 4.32Å; F77-F448 HydrophobicContact CD1-CD1 4.05Å; F77-F448 HydrophobicContact CD1-CD2 4.34Å; F77-F448 AromaticContact CD1-CE1 3.53Å; F77-F448 HydrophobicContact CD1-CE1 3.53Å; F77-F448 AromaticContact CD1-CE2 3.85Å; F77-F448 HydrophobicContact CD1-CE2 3.85Å; F77-F448 HydrophobicContact CD1-CG 4.43Å; F77-F448 AromaticContact CD1-CZ 3.42Å; F77-F448 HydrophobicContact CD1-CZ 3.42Å; F77-F448 VanDerWaalsContact CD1-CZ 3.42Å; F77-F448 HydrophobicContact CD2-CD2 4.26Å; F77-F448 AromaticContact CD2-CE2 3.52Å; F77-F448 HydrophobicContact CD2-CE2 3.52Å; F77-F448 AromaticContact CD2-CZ 3.75Å; F77-F448 HydrophobicContact CD2-CZ 3.75Å; F77-F448 AromaticContact CE1-CE1 3.57Å; F77-F448 HydrophobicContact CE1-CE1 3.57Å; F77-F448 HydrophobicContact CE1-CE2 4.11Å; F77-F448 AromaticContact CE1-CZ 3.33Å; F77-F448 HydrophobicContact CE1-CZ 3.33Å; F77-F448 AromaticContact CE2-CE2 3.78Å; F77-F448 HydrophobicContact CE2-CE2 3.78Å; F77-F448 AromaticContact CE2-CZ 3.64Å; F77-F448 HydrophobicContact CE2-CZ 3.64Å; F77-F448 HydrophobicContact CG-CD1 4.47Å; F77-F448 AromaticContact CG-CD2 3.97Å; F77-F448 HydrophobicContact CG-CD2 3.97Å; F77-F448 HydrophobicContact CG-CE1 4.12Å; F77-F448 AromaticContact CG-CE2 3.56Å; F77-F448 HydrophobicContact CG-CE2 3.56Å; F77-F448 HydrophobicContact CG-CG 4.41Å; F77-F448 AromaticContact CG-CZ 3.65Å; F77-F448 HydrophobicContact CG-CZ 3.65Å; F77-F448 HydrophobicContact CZ-CE1 4.15Å; F77-F448 HydrophobicContact CZ-CE2 4.07Å; F77-F448 AromaticContact CZ-CZ 3.44Å; F77-F448 HydrophobicContact CZ-CZ 3.44Å; F77-F448 VanDerWaalsContact CZ-CZ 3.44Å; F388-F448 HydrophobicContact CB-CD1 4.3Å; F388-F448 HydrophobicContact CB-CE1 4.24Å; F388-F448 HydrophobicContact CD1-CB 4.02Å; F388-F448 AromaticContact CD1-CD1 3.75Å; F388-F448 HydrophobicContact CD1-CD1 3.75Å; F388-F448 HydrophobicContact CD1-CE1 4.35Å; F388-F448 AromaticContact CD1-CG 3.89Å; F388-F448 HydrophobicContact CD1-CG 3.89Å; F388-F448 AromaticContact CD2-CD1 3.96Å; F388-F448 HydrophobicContact CD2-CD1 3.96Å; F388-F448 HydrophobicContact CD2-CD2 4.29Å; F388-F448 AromaticContact CD2-CE1 3.77Å; F388-F448 HydrophobicContact CD2-CE1 3.77Å; F388-F448 HydrophobicContact CD2-CE2 4.14Å; F388-F448 HydrophobicContact CD2-CG 4.21Å; F388-F448 AromaticContact CD2-CZ 3.87Å; F388-F448 HydrophobicContact CD2-CZ 3.87Å; F388-F448 HydrophobicContact CE1-CB 3.55Å; F388-F448 HydrophobicContact CE1-CD1 4.01Å; F388-F448 HydrophobicContact CE1-CD2 4.1Å; F388-F448 AromaticContact CE1-CG 3.63Å; F388-F448 HydrophobicContact CE1-CG 3.63Å; F388-F448 HydrophobicContact CE2-CD1 4.19Å; F388-F448 AromaticContact CE2-CD2 3.74Å; F388-F448 HydrophobicContact CE2-CD2 3.74Å; F388-F448 HydrophobicContact CE2-CE1 4.19Å; F388-F448 AromaticContact CE2-CE2 3.76Å; F388-F448 HydrophobicContact CE2-CE2 3.76Å; F388-F448 AromaticContact CE2-CG 3.97Å; F388-F448 HydrophobicContact CE2-CG 3.97Å; F388-F448 AromaticContact CE2-CZ 3.98Å; F388-F448 HydrophobicContact CE2-CZ 3.98Å; F388-F448 AromaticContact CG-CD1 3.72Å; F388-F448 HydrophobicContact CG-CD1 3.72Å; F388-F448 AromaticContact CG-CE1 3.85Å; F388-F448 HydrophobicContact CG-CE1 3.85Å; F388-F448 HydrophobicContact CG-CG 4.17Å; F388-F448 HydrophobicContact CG-CZ 4.42Å; F388-F448 HydrophobicContact CZ-CB 3.94Å; F388-F448 HydrophobicContact CZ-CD1 4.22Å; F388-F448 AromaticContact CZ-CD2 3.64Å; F388-F448 HydrophobicContact CZ-CD2 3.64Å; F388-F448 HydrophobicContact CZ-CE2 4.15Å; F388-F448 AromaticContact CZ-CG 3.68Å; F388-F448 HydrophobicContact CZ-CG 3.68Å; V409-F448 HydrophobicContact CB-CB 4.48Å; V409-F448 PolarHBondContact N-O 2.86Å; V409-F448 PolarHBondContact O-N 3.36Å; F411-F448 HydrophobicContact CD1-CB 4.46Å; F411-F448 HydrophobicContact CE1-CB 4.03Å; L435-F448 HydrophobicContact CD2-CD2 3.79Å; L435-F448 HydrophobicContact CD2-CE2 4.49Å; F448-I450 HydrophobicContact CD1-CD1 4.01Å; F448-I450 HydrophobicContact CE1-CD1 3.56Å; F448-V460 HydrophobicContact CE1-CG1 4.47Å; F448-A463 HydrophobicContact CE2-CB 3.88Å; F448-A463 HydrophobicContact CZ-CB 4.02Å; F448-I467 HydrophobicContact CD2-CD1 4.35Å; F448-I467 HydrophobicContact CE2-CD1 4.39Å
449A98.7Very high97.4Very high0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-103.5123.9-178.100000111.9F77 Y79 G407 L408 C451F77-A449 WeakPolarHBondContact CA-O 3.37Å; F77-A449 WeakPolarHBondContact CD1-O 3.33Å; F77-A449 PolarHBondContact O-N 3.4Å; Y79-A449 WeakPolarHBondContact O-CB 3.24Å; G407-A449 CarbonylContact O-C 3.57Å; G407-A449 WeakPolarHBondContact O-CA 3.34Å; L408-A449 HydrophobicContact CD1-CB 4.06Å; A449-C451 PolarHBondContact O-N 3.2Å; A449-C451 PolarHBondContact O-SG 3.39Å
450I98.7Very high97.5Very high0 Ų034.2 Ų34.20%017%0.17CC..  trans-71.6103.2177.8-52.4-61.2000109.9F77 P81 H381 L384 G407 F448 V455 V460F77-I450 HydrophobicContact CE1-CD1 4.28Å; P81-I450 WeakPolarHBondContact CG-O 3.49Å; H381-I450 HydrophobicContact CB-CB 4.32Å; H381-I450 HydrophobicContact CB-CG2 3.97Å; H381-I450 PolarHBondContact ND1-O 3.42Å; L384-I450 HydrophobicContact CB-CD1 4.07Å; L384-I450 HydrophobicContact CB-CG1 4.18Å; L384-I450 HydrophobicContact CB-CG2 4.22Å; L384-I450 HydrophobicContact CD1-CG2 4.2Å; G407-I450 PolarHBondContact O-N 3.29Å; F448-I450 HydrophobicContact CD1-CD1 4.01Å; F448-I450 HydrophobicContact CE1-CD1 3.56Å; I450-V455 HydrophobicContact CG2-CG1 3.47Å; I450-V455 VanDerWaalsContact CG2-CG1 3.47Å; I450-V455 HydrophobicContact CG2-CG2 4.47Å; I450-V460 HydrophobicContact CD1-CG2 4.12Å
451C97.7Very high97.7Very high4 Ų438 Ų383%0.02719%0.188CC..  trans-103.6-57.9-169.4-64.60000116.1F76 P81 H381 A449F76-C451 HydrophobicContact CD1-CB 3.89Å; F76-C451 WeakPolarHBondContact O-CB 3.2Å; P81-C451 HydrophobicContact CB-CB 3.94Å; P81-C451 HydrophobicContact CG-CB 4.2Å; H381-C451 PolarHBondContact CE1-O 3.5Å; A449-C451 PolarHBondContact O-N 3.2Å; A449-C451 PolarHBondContact O-SG 3.39Å
452S96.8Very high98Very high4 Ų436.2 Ų36.23%0.02818%0.181CC..  trans-67.1148-169.3179.80000112.8H72 S73 H381 T454 V455H72-S452 WeakPolarHBondContact O-CB 3.14Å; H72-S452 PolarHBondContact O-OG 3.2Å; S73-S452 WeakPolarHBondContact O-CB 3.35Å; H381-S452 PolarHBondContact CE1-O 3.33Å; H381-S452 VanDerWaalsContact CE1-O 3.25Å; H381-S452 PolarHBondContact NE2-O 3.16Å; S452-T454 PolarHBondContact O-N 3.43Å; S452-T454 PolarHBondContact OG-N 3.3Å; S452-T454 VanDerWaalsContact OG-N 3.12Å; S452-T454 PolarHBondContact OG-OG1 3.26Å; S452-V455 WeakPolarHBondContact O-CG1 3.36Å; S452-V455 PolarHBondContact O-N 2.89Å
453R95.5Very high98.2Very high75 Ų7530.4 Ų30.428%0.28315%0.15SC..THydrogen-bonded Turntrans-65.4-26.3170.5-176.7-1795973.4-0.2113L306 Y377L306-R453 HydrophobicContact CD2-CB 4.29Å; L306-R453 HydrophobicContact CD2-CG 4.05Å; Y377-R453 HydrophobicContact CD2-CG 4.45Å; Y377-R453 HydrophobicContact CE2-CB 4.25Å; Y377-R453 HydrophobicContact CE2-CG 4.15Å
454T96.1Very high98.3Very high52 Ų5226.5 Ų26.532%0.31913%0.133SC..THydrogen-bonded Turntrans-99.97.1-177.555.90000112.8S452 H459S452-T454 PolarHBondContact O-N 3.43Å; S452-T454 PolarHBondContact OG-N 3.3Å; S452-T454 VanDerWaalsContact OG-N 3.12Å; S452-T454 PolarHBondContact OG-OG1 3.26Å; T454-H459 PolarHBondContact O-CE1 2.84Å
455V98.3Very high98.3Very high1 Ų130.4 Ų30.41%0.00615%0.152CC..  trans-63.5142.3174.370.90000110.3P74 F77 K380 L384 I450 S452 H459 V460P74-V455 HydrophobicContact CB-CB 4.37Å; F77-V455 HydrophobicContact CE1-CG2 4.2Å; F77-V455 HydrophobicContact CZ-CG2 4.44Å; K380-V455 WeakPolarHBondContact CE-O 3.27Å; K380-V455 PolarHBondContact NZ-O 3.27Å; L384-V455 HydrophobicContact CD1-CG1 3.73Å; L384-V455 HydrophobicContact CD1-CG2 4.42Å; I450-V455 HydrophobicContact CG2-CG1 3.47Å; I450-V455 VanDerWaalsContact CG2-CG1 3.47Å; I450-V455 HydrophobicContact CG2-CG2 4.47Å; S452-V455 WeakPolarHBondContact O-CG1 3.36Å; S452-V455 PolarHBondContact O-N 2.89Å; V455-H459 HydrophobicContact CG2-CB 4.06Å; V455-V460 HydrophobicContact CG2-CG2 4.43Å
456E98.6Very high98.3Very high89 Ų8931.1 Ų31.142%0.41616%0.155SC..  trans-140.8165-175.6-61.5-61.1162.400108.3K380 A458 H459 V460K380-E456 WeakPolarHBondContact CE-OE2 3.2Å; K380-E456 IonicContact NZ-OE1 2.63Å; K380-E456 PolarHBondContact NZ-OE1 3.14Å; K380-E456 IonicContact NZ-OE2 3.06Å; K380-E456 PolarHBondContact NZ-OE2 3.18Å; E456-A458 PolarHBondContact O-N 3.32Å; E456-H459 WeakPolarHBondContact CB-ND1 3.21Å; E456-H459 PolarHBondContact N-ND1 3.3Å; E456-H459 WeakPolarHBondContact O-CB 3.26Å; E456-H459 PolarHBondContact O-N 3.38Å; E456-V460 PolarHBondContact O-N 3.27Å
457S98.8Very high98.3Very high41 Ų4131.1 Ų31.129%0.28716%0.155SC..Hα-helixtrans-51.4-42.5176.7166.20000112.5E387 H459 V460 Q461E387-S457 VanDerWaalsContact CD-OG 3.26Å; E387-S457 WeakPolarHBondContact OE1-CB 3.31Å; E387-S457 PolarHBondContact OE1-OG 3.39Å; E387-S457 VanDerWaalsContact OE2-CB 3.26Å; E387-S457 WeakPolarHBondContact OE2-CB 3.44Å; E387-S457 PolarHBondContact OE2-OG 3.41Å; S457-H459 PolarHBondContact O-N 3.02Å; S457-V460 WeakPolarHBondContact O-CB 3.01Å; S457-V460 PolarHBondContact O-N 3.12Å; S457-Q461 WeakPolarHBondContact O-CG 3.37Å; S457-Q461 PolarHBondContact O-N 2.97Å; S457-Q461 PolarHBondContact OG-NE2 3.24Å
458A98.7Very high98.3Very high52 Ų5234 Ų3443%0.4317%0.168SC..Hα-helixtrans-60.6-28.3176.900000114E456 R462E456-A458 PolarHBondContact O-N 3.32Å; A458-R462 WeakPolarHBondContact O-CB 3.07Å; A458-R462 VanDerWaalsContact O-CG 3.23Å; A458-R462 WeakPolarHBondContact O-CG 3.35Å; A458-R462 PolarHBondContact O-N 2.89Å; A458-R462 PolarHBondContact O-NE 3.26Å; A458-R462 VanDerWaalsContact O-NE 3.09Å
459H98.8Very high98.3Very high13 Ų1339.2 Ų39.26%0.0619%0.192CC..Hα-helixtrans-74.6-41.9174.8-58.6111.9000111.1E25 P74 Y75 T454 V455 E456 S457 R462 A463E25-H459 VanDerWaalsContact CD-NE2 3.32Å; E25-H459 IonicContact OE1-CD2 2.67Å; E25-H459 IonicContact OE1-NE2 2.99Å; E25-H459 PolarHBondContact OE1-NE2 3.28Å; E25-H459 IonicContact OE2-NE2 3.88Å; E25-H459 PolarHBondContact OE2-NE2 3.16Å; P74-H459 HydrophobicContact CB-CB 4.25Å; Y75-H459 HydrophobicContact CE1-CB 4.28Å; Y75-H459 AromaticContact CE1-CD2 3.98Å; Y75-H459 AromaticContact CZ-CD2 3.75Å; T454-H459 PolarHBondContact O-CE1 2.84Å; V455-H459 HydrophobicContact CG2-CB 4.06Å; E456-H459 WeakPolarHBondContact CB-ND1 3.21Å; E456-H459 PolarHBondContact N-ND1 3.3Å; E456-H459 WeakPolarHBondContact O-CB 3.26Å; E456-H459 PolarHBondContact O-N 3.38Å; S457-H459 PolarHBondContact O-N 3.02Å; H459-R462 PolarHBondContact CD2-NH2 2.73Å; H459-R462 PolarHBondContact NE2-NH2 3.29Å; H459-R462 PolarHBondContact O-N 2.75Å; H459-A463 VanDerWaalsContact O-CB 3.31Å; H459-A463 WeakPolarHBondContact O-CB 3.49Å; H459-A463 PolarHBondContact O-N 3.31Å
460V98.9Very high98.2Very high0 Ų040.2 Ų40.20%020%0.197CC..Hα-helixtrans-62.8-45.6177.5177.20000110.7L384 F388 L391 F448 I450 V455 E456 S457 A463 W464L384-V460 HydrophobicContact CB-CG2 4.22Å; L384-V460 HydrophobicContact CD2-CG2 4.15Å; F388-V460 HydrophobicContact CB-CG1 3.69Å; F388-V460 HydrophobicContact CD2-CG1 3.91Å; F388-V460 HydrophobicContact CG-CG1 4.28Å; L391-V460 HydrophobicContact CD1-CG1 4.32Å; F448-V460 HydrophobicContact CE1-CG1 4.47Å; I450-V460 HydrophobicContact CD1-CG2 4.12Å; V455-V460 HydrophobicContact CG2-CG2 4.43Å; E456-V460 PolarHBondContact O-N 3.27Å; S457-V460 WeakPolarHBondContact O-CB 3.01Å; S457-V460 PolarHBondContact O-N 3.12Å; V460-A463 PolarHBondContact O-N 3.09Å; V460-W464 WeakPolarHBondContact O-CB 3.26Å; V460-W464 PolarHBondContact O-N 3.03Å
461Q98.8Very high98.2Very high85 Ų8540.2 Ų40.240%0.39720%0.197SC..Hα-helixtrans-63.1-48177.8-68.9-179.928.200111.9E387 L391 S457 A463 W464 E465E387-Q461 PolarHBondContact OE1-NE2 3.39Å; L391-Q461 HydrophobicContact CD1-CG 4.24Å; S457-Q461 WeakPolarHBondContact O-CG 3.37Å; S457-Q461 PolarHBondContact O-N 2.97Å; S457-Q461 PolarHBondContact OG-NE2 3.24Å; Q461-A463 VanDerWaalsContact C-N 3.32Å; Q461-A463 PolarHBondContact O-N 2.98Å; Q461-W464 PolarHBondContact O-N 3.24Å; Q461-W464 VanDerWaalsContact O-N 3.16Å; Q461-E465 WeakPolarHBondContact O-CG 3.24Å; Q461-E465 PolarHBondContact O-N 3.14Å
462R98.6Very high98.2Very high109 Ų10943 Ų4341%0.41121%0.212SC..Hα-helixtrans-60.1-41.1176.3-76.8-175.4-76.8176.13.2112.3E25 Y75 A458 H459 H466E25-R462 IonicContact OE1-CZ 2.69Å; E25-R462 IonicContact OE1-NH1 3.15Å; E25-R462 PolarHBondContact OE1-NH1 3.17Å; E25-R462 IonicContact OE1-NH2 3.92Å; E25-R462 PolarHBondContact OE1-NH2 2.96Å; Y75-R462 HydrophobicContact CE1-CB 4.49Å; Y75-R462 PolarHBondContact OH-NE 3.49Å; Y75-R462 PolarHBondContact OH-NH1 3.47Å; Y75-R462 PolarHBondContact OH-NH2 2.88Å; A458-R462 WeakPolarHBondContact O-CB 3.07Å; A458-R462 VanDerWaalsContact O-CG 3.23Å; A458-R462 WeakPolarHBondContact O-CG 3.35Å; A458-R462 PolarHBondContact O-N 2.89Å; A458-R462 PolarHBondContact O-NE 3.26Å; A458-R462 VanDerWaalsContact O-NE 3.09Å; H459-R462 PolarHBondContact CD2-NH2 2.73Å; H459-R462 PolarHBondContact NE2-NH2 3.29Å; H459-R462 PolarHBondContact O-N 2.75Å; R462-H466 WeakPolarHBondContact O-CB 3.45Å; R462-H466 PolarHBondContact O-N 3.09Å; R462-H466 VanDerWaalsContact O-N 3.08Å
463A98.7Very high98.2Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-63.9-42.117600000111.7F77 I433 F448 H459 V460 Q461 H466 I467F77-A463 HydrophobicContact CD2-CB 4.48Å; F77-A463 HydrophobicContact CE2-CB 3.71Å; F77-A463 HydrophobicContact CZ-CB 4.25Å; I433-A463 HydrophobicContact CD1-CB 4.36Å; I433-A463 HydrophobicContact CG2-CB 3.98Å; F448-A463 HydrophobicContact CE2-CB 3.88Å; F448-A463 HydrophobicContact CZ-CB 4.02Å; H459-A463 VanDerWaalsContact O-CB 3.31Å; H459-A463 WeakPolarHBondContact O-CB 3.49Å; H459-A463 PolarHBondContact O-N 3.31Å; V460-A463 PolarHBondContact O-N 3.09Å; Q461-A463 VanDerWaalsContact C-N 3.32Å; Q461-A463 PolarHBondContact O-N 2.98Å; A463-H466 PolarHBondContact O-N 3.43Å; A463-I467 WeakPolarHBondContact O-CD1 3.09Å; A463-I467 VanDerWaalsContact O-CG1 3.26Å; A463-I467 WeakPolarHBondContact O-CG1 3.37Å; A463-I467 PolarHBondContact O-N 2.67Å
464W98.9Very high98.2Very high8 Ų842.8 Ų42.83%0.0322%0.216CC..Hα-helixtrans-65.9-43.4177177.2-122.2000113.1F388 L391 V392 D395 F398 F411 V460 Q461 H466 I467 K468F388-W464 HydrophobicContact CD2-CB 4.38Å; F388-W464 HydrophobicContact CE2-CB 4.14Å; F388-W464 HydrophobicContact CE2-CD2 4.4Å; F388-W464 AromaticContact CE2-CE3 3.77Å; F388-W464 HydrophobicContact CE2-CE3 3.77Å; F388-W464 AromaticContact CZ-CE3 4Å; F388-W464 HydrophobicContact CZ-CE3 4Å; F388-W464 HydrophobicContact CZ-CZ3 4.4Å; L391-W464 HydrophobicContact CB-CD2 4.29Å; L391-W464 HydrophobicContact CB-CG 3.96Å; L391-W464 HydrophobicContact CD1-CB 4.04Å; L391-W464 HydrophobicContact CD1-CG 4.13Å; L391-W464 WeakPolarHBondContact O-CZ2 3.31Å; L391-W464 PolarHBondContact O-NE1 2.95Å; V392-W464 HydrophobicContact CB-CH2 4.23Å; V392-W464 HydrophobicContact CG1-CH2 4.47Å; V392-W464 HydrophobicContact CG2-CE3 4.12Å; V392-W464 HydrophobicContact CG2-CH2 3.86Å; V392-W464 HydrophobicContact CG2-CZ2 4.46Å; V392-W464 HydrophobicContact CG2-CZ3 3.67Å; D395-W464 HydrophobicContact CB-CH2 4.38Å; D395-W464 HydrophobicContact CB-CZ2 3.78Å; F398-W464 HydrophobicContact CD1-CH2 4.26Å; F398-W464 AromaticContact CD2-CH2 3.62Å; F398-W464 HydrophobicContact CD2-CH2 3.62Å; F398-W464 HydrophobicContact CD2-CZ2 4.34Å; F398-W464 HydrophobicContact CE1-CH2 4.31Å; F398-W464 HydrophobicContact CE1-CZ3 4.37Å; F398-W464 AromaticContact CE2-CH2 3.68Å; F398-W464 HydrophobicContact CE2-CH2 3.68Å; F398-W464 HydrophobicContact CE2-CZ2 4.4Å; F398-W464 HydrophobicContact CE2-CZ3 4.38Å; F398-W464 AromaticContact CG-CH2 3.9Å; F398-W464 HydrophobicContact CG-CH2 3.9Å; F398-W464 HydrophobicContact CZ-CH2 4.01Å; F398-W464 HydrophobicContact CZ-CZ3 4.26Å; F411-W464 HydrophobicContact CE2-CZ3 4.23Å; V460-W464 WeakPolarHBondContact O-CB 3.26Å; V460-W464 PolarHBondContact O-N 3.03Å; Q461-W464 PolarHBondContact O-N 3.24Å; Q461-W464 VanDerWaalsContact O-N 3.16Å; W464-H466 VanDerWaalsContact C-N 3.29Å; W464-H466 PolarHBondContact O-N 3.06Å; W464-I467 HydrophobicContact CE3-CB 4.11Å; W464-I467 HydrophobicContact CE3-CD1 4.34Å; W464-I467 HydrophobicContact CE3-CG2 4.04Å; W464-I467 HydrophobicContact CZ3-CB 4.39Å; W464-I467 HydrophobicContact CZ3-CG2 3.82Å; W464-I467 PolarHBondContact O-N 3.02Å; W464-K468 HydrophobicContact CD2-CD 4.45Å; W464-K468 HydrophobicContact CD2-CG 4.1Å; W464-K468 HydrophobicContact CH2-CG 4.22Å; W464-K468 HydrophobicContact CZ2-CD 3.91Å; W464-K468 HydrophobicContact CZ2-CG 3.72Å; W464-K468 PolarHBondContact O-N 2.86Å
465E98.8Very high98.2Very high99 Ų9941.8 Ų41.846%0.46321%0.209SC..Hα-helixtrans-55.6-47.2173.6-74173172.600111Q461 I467 K468 E469Q461-E465 WeakPolarHBondContact O-CG 3.24Å; Q461-E465 PolarHBondContact O-N 3.14Å; E465-I467 VanDerWaalsContact C-N 3.35Å; E465-I467 PolarHBondContact O-N 3.18Å; E465-K468 PolarHBondContact O-N 2.95Å; E465-E469 WeakPolarHBondContact O-CG 3.19Å; E465-E469 PolarHBondContact O-N 2.88Å
466H98.5Very high97.9Very high15 Ų1548.8 Ų48.87%0.06924%0.235CC..Hα-helixtrans-61.1-40.8176.9-174.744.8000113.1R462 A463 W464 E469 L470R462-H466 WeakPolarHBondContact O-CB 3.45Å; R462-H466 PolarHBondContact O-N 3.09Å; R462-H466 VanDerWaalsContact O-N 3.08Å; A463-H466 PolarHBondContact O-N 3.43Å; W464-H466 VanDerWaalsContact C-N 3.29Å; W464-H466 PolarHBondContact O-N 3.06Å; H466-E469 PolarHBondContact O-N 3.48Å; H466-L470 VanDerWaalsContact CE1-CD1 3.47Å; H466-L470 WeakPolarHBondContact CE1-CD1 3.47Å; H466-L470 WeakPolarHBondContact O-CG 3.47Å; H466-L470 PolarHBondContact O-N 2.95Å; H466-L470 VanDerWaalsContact O-N 3.15Å
467I98.8Very high97.4Very high0 Ų046.8 Ų46.80%023%0.234CC..Hα-helixtrans-62.4-43.4175.5-70161.8000110.9F388 F398 F411 I427 I433 L435 F448 A463 W464 E465 L470 A471F388-I467 HydrophobicContact CE2-CD1 4.12Å; F388-I467 HydrophobicContact CZ-CD1 4.1Å; F398-I467 HydrophobicContact CE1-CG2 4.2Å; F398-I467 HydrophobicContact CZ-CG2 4.08Å; F411-I467 HydrophobicContact CE2-CG2 4.03Å; F411-I467 HydrophobicContact CZ-CD1 4.06Å; F411-I467 HydrophobicContact CZ-CG2 4.35Å; I427-I467 HydrophobicContact CD1-CG1 3.95Å; I427-I467 HydrophobicContact CD1-CG2 4.41Å; I427-I467 HydrophobicContact CG1-CG1 4.5Å; I433-I467 HydrophobicContact CD1-CD1 3.92Å; I433-I467 HydrophobicContact CD1-CG1 3.81Å; L435-I467 HydrophobicContact CD1-CD1 4.32Å; F448-I467 HydrophobicContact CD2-CD1 4.35Å; F448-I467 HydrophobicContact CE2-CD1 4.39Å; A463-I467 WeakPolarHBondContact O-CD1 3.09Å; A463-I467 VanDerWaalsContact O-CG1 3.26Å; A463-I467 WeakPolarHBondContact O-CG1 3.37Å; A463-I467 PolarHBondContact O-N 2.67Å; W464-I467 HydrophobicContact CE3-CB 4.11Å; W464-I467 HydrophobicContact CE3-CD1 4.34Å; W464-I467 HydrophobicContact CE3-CG2 4.04Å; W464-I467 HydrophobicContact CZ3-CB 4.39Å; W464-I467 HydrophobicContact CZ3-CG2 3.82Å; W464-I467 PolarHBondContact O-N 3.02Å; E465-I467 VanDerWaalsContact C-N 3.35Å; E465-I467 PolarHBondContact O-N 3.18Å; I467-L470 PolarHBondContact O-N 3.38Å; I467-A471 WeakPolarHBondContact O-CB 3.22Å; I467-A471 PolarHBondContact O-N 3.02Å
468K98.4Very high96.5Very high68 Ų6850.3 Ų50.330%0.29625%0.246SC..Hα-helixtrans-64.6-42.9178.9-75-171.4-63.5174.10112.7W464 E465 A471 D472W464-K468 HydrophobicContact CD2-CD 4.45Å; W464-K468 HydrophobicContact CD2-CG 4.1Å; W464-K468 HydrophobicContact CH2-CG 4.22Å; W464-K468 HydrophobicContact CZ2-CD 3.91Å; W464-K468 HydrophobicContact CZ2-CG 3.72Å; W464-K468 PolarHBondContact O-N 2.86Å; E465-K468 PolarHBondContact O-N 2.95Å; K468-A471 WeakPolarHBondContact O-CB 3.44Å; K468-A471 PolarHBondContact O-N 2.95Å; K468-D472 PolarHBondContact O-N 3.36Å
469E98.4Very high95.7Very high108 Ų10858 Ų5851%0.50526%0.264SS..Hα-helixtrans-58.3-49.1176.4-72.8172.6174.400110.6E465 H466 A471 D472 D473E465-E469 WeakPolarHBondContact O-CG 3.19Å; E465-E469 PolarHBondContact O-N 2.88Å; H466-E469 PolarHBondContact O-N 3.48Å; E469-A471 VanDerWaalsContact C-N 3.29Å; E469-A471 PolarHBondContact O-N 3.3Å; E469-D472 WeakPolarHBondContact O-CB 3.38Å; E469-D472 PolarHBondContact O-N 3.23Å; E469-D473 PolarHBondContact O-N 3.13Å
470L98.4Very high94.2Very high21 Ų2167.9 Ų67.911%0.1131%0.31CS..Hα-helixtrans-67.4-31.2178.7-67.1178.2000112.6L423 R426 I427 A430 H466 I467 D473 V474L423-L470 HydrophobicContact CD1-CB 3.97Å; R426-L470 HydrophobicContact CB-CD1 4.37Å; R426-L470 HydrophobicContact CB-CD2 4.35Å; I427-L470 HydrophobicContact CB-CD1 4.18Å; I427-L470 HydrophobicContact CG1-CD1 3.62Å; A430-L470 HydrophobicContact CB-CD1 4.37Å; H466-L470 VanDerWaalsContact CE1-CD1 3.47Å; H466-L470 WeakPolarHBondContact CE1-CD1 3.47Å; H466-L470 WeakPolarHBondContact O-CG 3.47Å; H466-L470 PolarHBondContact O-N 2.95Å; H466-L470 VanDerWaalsContact O-N 3.15Å; I467-L470 PolarHBondContact O-N 3.38Å; L470-D473 PolarHBondContact O-N 3.05Å; L470-V474 WeakPolarHBondContact O-CG2 3.28Å; L470-V474 PolarHBondContact O-N 3.41Å
471A98.3Very high94Very high0 Ų071.3 Ų71.30%033%0.325CS..Hα-helixtrans-67.2-36173.100000112.6F398 L413 L423 I467 K468 E469 D473 V474 L475F398-A471 HydrophobicContact CE2-CB 4.2Å; F398-A471 HydrophobicContact CZ-CB 3.62Å; L413-A471 HydrophobicContact CD1-CB 4.14Å; L413-A471 HydrophobicContact CD2-CB 4.19Å; L423-A471 HydrophobicContact CD1-CB 4.13Å; I467-A471 WeakPolarHBondContact O-CB 3.22Å; I467-A471 PolarHBondContact O-N 3.02Å; K468-A471 WeakPolarHBondContact O-CB 3.44Å; K468-A471 PolarHBondContact O-N 2.95Å; E469-A471 VanDerWaalsContact C-N 3.29Å; E469-A471 PolarHBondContact O-N 3.3Å; A471-D473 VanDerWaalsContact C-N 3.3Å; A471-D473 PolarHBondContact O-N 3.24Å; A471-V474 PolarHBondContact O-N 3.13Å; A471-L475 WeakPolarHBondContact O-CB 3.38Å; A471-L475 VanDerWaalsContact O-CG 3.25Å; A471-L475 WeakPolarHBondContact O-CG 3.47Å; A471-L475 PolarHBondContact O-N 3.31Å
472D97.4Very high93.7Very high63 Ų6370.6 Ų70.634%0.33732%0.321SS..Hα-helixtrans-57.9-46171.5-74.2-29.3000110.7R397 K468 E469 L475 R476R397-D472 IonicContact CZ-OD1 2.79Å; R397-D472 IonicContact NH1-OD1 2.73Å; R397-D472 PolarHBondContact NH1-OD1 2.7Å; R397-D472 IonicContact NH2-OD1 3.83Å; K468-D472 PolarHBondContact O-N 3.36Å; E469-D472 WeakPolarHBondContact O-CB 3.38Å; E469-D472 PolarHBondContact O-N 3.23Å; D472-L475 PolarHBondContact O-N 3.19Å; D472-R476 WeakPolarHBondContact O-CB 3.29Å; D472-R476 VanDerWaalsContact O-CG 3.26Å; D472-R476 WeakPolarHBondContact O-CG 3.49Å; D472-R476 PolarHBondContact O-N 3.43Å
473D95.7Very high93.5Very high68 Ų6868.4 Ų68.436%0.36432%0.316SS..Hα-helixtrans-68.7-36.3-177.8-60.7-27.3000112.7E469 L470 A471 A477E469-D473 PolarHBondContact O-N 3.13Å; L470-D473 PolarHBondContact O-N 3.05Å; A471-D473 VanDerWaalsContact C-N 3.3Å; A471-D473 PolarHBondContact O-N 3.24Å; D473-A477 WeakPolarHBondContact O-CB 3.49Å; D473-A477 PolarHBondContact O-N 3.37Å
474V96.8Very high93.2Very high7 Ų772.5 Ų72.54%0.04234%0.335CS..Hα-helixtrans-66.5-46.7174.9173.40000110.8V419 A422 L423 R426 L470 A471 R476 A477 E478V419-V474 HydrophobicContact CG1-CG1 3.94Å; A422-V474 HydrophobicContact CB-CG1 4.24Å; L423-V474 HydrophobicContact CB-CG2 4.39Å; R426-V474 HydrophobicContact CG-CG2 4.46Å; L470-V474 WeakPolarHBondContact O-CG2 3.28Å; L470-V474 PolarHBondContact O-N 3.41Å; A471-V474 PolarHBondContact O-N 3.13Å; V474-R476 VanDerWaalsContact C-N 3.32Å; V474-R476 PolarHBondContact O-N 3Å; V474-A477 PolarHBondContact O-N 3.03Å; V474-E478 PolarHBondContact O-N 2.61Å; V474-E478 VanDerWaalsContact O-N 3.17Å
475L95.1Very high92.8Very high31 Ų3176.5 Ų76.516%0.16235%0.354CS..Hα-helixtrans-72.2-23.7-177.1-68.4172.2000113.3R397 L413 V419 A471 D472 R479R397-L475 HydrophobicContact CG-CD1 4.44Å; L413-L475 HydrophobicContact CD1-CD2 4.49Å; L413-L475 HydrophobicContact CD1-CG 4.44Å; L413-L475 HydrophobicContact CD2-CD1 4.21Å; V419-L475 HydrophobicContact CG1-CD2 4.37Å; A471-L475 WeakPolarHBondContact O-CB 3.38Å; A471-L475 VanDerWaalsContact O-CG 3.25Å; A471-L475 WeakPolarHBondContact O-CG 3.47Å; A471-L475 PolarHBondContact O-N 3.31Å; D472-L475 PolarHBondContact O-N 3.19Å; L475-R479 WeakPolarHBondContact O-CG 3.48Å; L475-R479 PolarHBondContact O-NE 2.83Å
476R92.7Very high92.4Very high148 Ų14875 Ų7556%0.55835%0.347SS*.Hα-helixtrans-70.5-46.3168.7-73.9175.4-157.2177.910110.9D472 V474 E478 R479 E480D472-R476 WeakPolarHBondContact O-CB 3.29Å; D472-R476 VanDerWaalsContact O-CG 3.26Å; D472-R476 WeakPolarHBondContact O-CG 3.49Å; D472-R476 PolarHBondContact O-N 3.43Å; V474-R476 VanDerWaalsContact C-N 3.32Å; V474-R476 PolarHBondContact O-N 3Å; R476-E478 PolarHBondContact O-N 3.35Å; R476-R479 PolarHBondContact O-N 3.25Å; R476-E480 PolarHBondContact O-N 3.16Å
477A87.4Confident92Very high47 Ų4779.3 Ų79.339%0.38837%0.367SS..Hα-helixtrans-64.9-20.2179.600000114.2D473 V474D473-A477 WeakPolarHBondContact O-CB 3.49Å; D473-A477 PolarHBondContact O-N 3.37Å; V474-A477 PolarHBondContact O-N 3.03Å
478E81.4Confident91.4Very high114 Ų11485.4 Ų85.453%0.53340%0.395SS..THydrogen-bonded Turntrans-78.2-18.6171.2-85.1-153.4129.800114.3V419 V474 R476V419-E478 HydrophobicContact CG2-CG 4.16Å; V419-E478 WeakPolarHBondContact CG2-OE1 3.38Å; V419-E478 WeakPolarHBondContact CG2-OE2 3.06Å; V474-E478 PolarHBondContact O-N 2.61Å; V474-E478 VanDerWaalsContact O-N 3.17Å; R476-E478 PolarHBondContact O-N 3.35Å
479R80.3Confident90.9Very high215 Ų21586.8 Ų86.881%0.81140%0.403SS*.THydrogen-bonded Turntrans-93.8-18.5-178.2-63.7178.3-162.2-151.62.5112.9L475 R476L475-R479 WeakPolarHBondContact O-CG 3.48Å; L475-R479 PolarHBondContact O-NE 2.83Å; R476-R479 PolarHBondContact O-N 3.25Å
480E68.3Low90.2Very high220 Ų22084.9 Ų84.9100%1.02839%0.394SS*.  trans-87.10172.1-65.5176.7-177.900109.8R476R476-E480 PolarHBondContact O-N 3.16Å

Retrieved 480 of 480 residues in 202.5 ms (Link to these results)

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