A0A3Q0KBR6_SCHMA Loading...

ARID domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KBR6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 679 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
1M55.8Low83.7Confident153 Ų15357.2 Ų57.275%0.75431%0.314SS*.  0-810-82.9-60.1-154.900110.8E3 G4 D38M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.8Å; M1-G4 PolarHBondContact O-N 3.06Å; M1-G4 VanDerWaalsContact O-N 3.15Å; M1-D38 HydrophobicContact CE-CB 4.07Å; M1-D38 WeakPolarHBondContact CE-OD2 3.26Å
2S73.7Confident84.1Confident62 Ų6253.9 Ų53.943%0.43429%0.294SS..Hα-helixtrans-50.7-44-176.242.10000114.6G4 Y5 I6S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 3.05Å; S2-Y5 WeakPolarHBondContact O-CB 3.22Å; S2-Y5 PolarHBondContact O-N 2.95Å; S2-I6 PolarHBondContact O-N 3.5Å; S2-I6 VanDerWaalsContact O-N 3.09Å
3E80.2Confident84.2Confident141 Ų14149.8 Ų49.866%0.65927%0.272SS*.Hα-helixtrans-55.4-37.2-179.5-64.2164.9151.400113.5M1 Y5 I6 L7M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 2.8Å; E3-Y5 VanDerWaalsContact C-N 3.3Å; E3-Y5 PolarHBondContact O-N 2.92Å; E3-I6 WeakPolarHBondContact O-CB 3.48Å; E3-I6 PolarHBondContact O-N 3.06Å; E3-L7 WeakPolarHBondContact O-CG 3.17Å; E3-L7 PolarHBondContact O-N 2.76Å
4G84.7Confident84.1Confident39 Ų3953.4 Ų53.440%0.40229%0.289SS..Hα-helixtrans-65.6-33.5177.100000112.9M1 S2 A8M1-G4 PolarHBondContact O-N 3.06Å; M1-G4 VanDerWaalsContact O-N 3.15Å; S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 3.05Å; G4-A8 WeakPolarHBondContact O-CB 3.38Å; G4-A8 PolarHBondContact O-N 3.13Å
5Y90.8Very high83.7Confident12 Ų1255.1 Ų55.15%0.04729%0.294CS..Hα-helixtrans-76.4-31174.7-51.6-48.5000112S2 E3 A9 M29 F33 F39 V43S2-Y5 WeakPolarHBondContact O-CB 3.22Å; S2-Y5 PolarHBondContact O-N 2.95Å; E3-Y5 VanDerWaalsContact C-N 3.3Å; E3-Y5 PolarHBondContact O-N 2.92Å; Y5-A9 WeakPolarHBondContact O-CB 3.3Å; Y5-A9 PolarHBondContact O-N 2.94Å; Y5-M29 WeakPolarHBondContact O-CE 3.33Å; Y5-F33 HydrophobicContact CD1-CD1 4.4Å; Y5-F33 HydrophobicContact CD1-CD2 4.2Å; Y5-F33 HydrophobicContact CD1-CE1 4.1Å; Y5-F33 AromaticContact CD1-CE2 3.89Å; Y5-F33 HydrophobicContact CD1-CE2 3.89Å; Y5-F33 HydrophobicContact CD1-CG 4.45Å; Y5-F33 AromaticContact CD1-CZ 3.83Å; Y5-F33 HydrophobicContact CD1-CZ 3.83Å; Y5-F33 HydrophobicContact CE1-CD1 4.02Å; Y5-F33 HydrophobicContact CE1-CD2 4.46Å; Y5-F33 AromaticContact CE1-CE1 4Å; Y5-F33 HydrophobicContact CE1-CE1 4Å; Y5-F33 HydrophobicContact CE1-CE2 4.44Å; Y5-F33 HydrophobicContact CE1-CG 4.26Å; Y5-F33 HydrophobicContact CE1-CZ 4.21Å; Y5-F39 AromaticContact CD1-CD2 3.95Å; Y5-F39 HydrophobicContact CD1-CD2 3.95Å; Y5-F39 HydrophobicContact CE1-CB 4.33Å; Y5-F39 AromaticContact CE1-CD2 3.85Å; Y5-F39 HydrophobicContact CE1-CD2 3.85Å; Y5-F39 WeakPolarHBondContact OH-CA 3.47Å; Y5-F39 PolarHBondContact OH-N 3.44Å; Y5-V43 HydrophobicContact CD2-CG1 3.87Å; Y5-V43 HydrophobicContact CG-CG1 3.87Å
6I91Very high83.4Confident19 Ų1959 Ų5910%0.09731%0.305CS..Hα-helixtrans-63.5-49.5170.5-64.5170.4000109.9S2 E3 A8 A9 L10 F53 N57 I60 F61S2-I6 PolarHBondContact O-N 3.5Å; S2-I6 VanDerWaalsContact O-N 3.09Å; E3-I6 WeakPolarHBondContact O-CB 3.48Å; E3-I6 PolarHBondContact O-N 3.06Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.19Å; I6-A9 PolarHBondContact O-N 2.89Å; I6-L10 WeakPolarHBondContact O-CB 3.23Å; I6-L10 PolarHBondContact O-N 3.23Å; I6-F53 HydrophobicContact CG1-CE1 4.06Å; I6-F53 HydrophobicContact CG1-CZ 3.72Å; I6-N57 WeakPolarHBondContact CD1-OD1 3.33Å; I6-I60 HydrophobicContact CG2-CD1 3.59Å; I6-F61 HydrophobicContact CG2-CE2 3.97Å; I6-F61 HydrophobicContact CG2-CZ 4.07Å
7L89Confident82.8Confident110 Ų11059.8 Ų59.858%0.57633%0.33SS*.Hα-helixtrans-61.9-39.7179-69.3171.9000112.1E3 L10 E11E3-L7 WeakPolarHBondContact O-CG 3.17Å; E3-L7 PolarHBondContact O-N 2.76Å; L7-L10 WeakPolarHBondContact O-CB 3.44Å; L7-L10 PolarHBondContact O-N 3.13Å; L7-E11 WeakPolarHBondContact O-CB 3.25Å; L7-E11 PolarHBondContact O-N 2.67Å
8A89.5Confident82.4Confident5 Ų557.4 Ų57.44%0.04132%0.322CS..Hα-helixtrans-67-37.8175.400000113.2G4 I6 E11 F12 M29 K32 F33G4-A8 WeakPolarHBondContact O-CB 3.38Å; G4-A8 PolarHBondContact O-N 3.13Å; I6-A8 VanDerWaalsContact C-N 3.34Å; I6-A8 PolarHBondContact O-N 3.19Å; A8-E11 PolarHBondContact O-N 3.17Å; A8-F12 WeakPolarHBondContact O-CD2 3.43Å; A8-F12 PolarHBondContact O-N 2.64Å; A8-F12 VanDerWaalsContact O-N 3.1Å; A8-M29 HydrophobicContact CB-CE 4.21Å; A8-M29 HydrophobicContact CB-SD 3.83Å; A8-K32 HydrophobicContact CB-CD 4.45Å; A8-F33 HydrophobicContact CB-CE2 3.63Å; A8-F33 HydrophobicContact CB-CZ 3.69Å
9A90.5Very high82.5Confident0 Ų057.9 Ų57.90%033%0.327CS..Hα-helixtrans-68.4-37.5174.300000112.2Y5 I6 L13 L25 M29 F50 L54 F61Y5-A9 WeakPolarHBondContact O-CB 3.3Å; Y5-A9 PolarHBondContact O-N 2.94Å; I6-A9 PolarHBondContact O-N 2.89Å; A9-L13 WeakPolarHBondContact O-CG 3.46Å; A9-L13 PolarHBondContact O-N 2.99Å; A9-L25 HydrophobicContact CB-CD2 4.42Å; A9-M29 HydrophobicContact CB-CE 4.17Å; A9-M29 HydrophobicContact CB-SD 4.34Å; A9-F50 HydrophobicContact CB-CZ 4.44Å; A9-L54 HydrophobicContact CB-CD2 4.25Å; A9-F61 HydrophobicContact CB-CE1 4.22Å; A9-F61 HydrophobicContact CB-CZ 3.8Å
10L90.4Very high82.7Confident54 Ų5457.2 Ų57.228%0.28332%0.321SS..Hα-helixtrans-61.1-48.8171.7-174.790.8000111.3I6 L7 F12 L13 I14 I60 L70I6-L10 WeakPolarHBondContact O-CB 3.23Å; I6-L10 PolarHBondContact O-N 3.23Å; L7-L10 WeakPolarHBondContact O-CB 3.44Å; L7-L10 PolarHBondContact O-N 3.13Å; L10-F12 PolarHBondContact O-N 2.87Å; L10-L13 PolarHBondContact O-N 3.47Å; L10-I14 HydrophobicContact CD2-CD1 4.2Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.44Å; L10-I60 HydrophobicContact CD1-CG2 3.52Å; L10-L70 HydrophobicContact CD1-CD2 3.67Å
11E85.6Confident83.2Confident34 Ų3455.1 Ų55.116%0.15931%0.31CS..Hα-helixtrans-57-49.1178.9-173.2-166.7158.200111.4L7 A8 L13 I14 Q15 K32 I293L7-E11 WeakPolarHBondContact O-CB 3.25Å; L7-E11 PolarHBondContact O-N 2.67Å; A8-E11 PolarHBondContact O-N 3.17Å; E11-L13 PolarHBondContact O-N 2.91Å; E11-I14 PolarHBondContact O-N 3.41Å; E11-Q15 WeakPolarHBondContact O-CG 3.42Å; E11-Q15 PolarHBondContact O-N 3.44Å; E11-Q15 PolarHBondContact OE1-NE2 2.89Å; E11-K32 IonicContact OE1-NZ 3.55Å; E11-K32 PolarHBondContact OE1-NZ 3.4Å; E11-K32 IonicContact OE2-NZ 2.66Å; E11-K32 PolarHBondContact OE2-NZ 3.08Å; E11-I293 HydrophobicContact CG-CD1 4.37Å
12F87.8Confident84.9Confident18 Ų1848.1 Ų48.18%0.07928%0.276CS..Hα-helixtrans-61.6-42.3175.5-76.6-51.6000112.4A8 L10 I14 Q15 Y16 L25 L28 M29 K32A8-F12 WeakPolarHBondContact O-CD2 3.43Å; A8-F12 PolarHBondContact O-N 2.64Å; A8-F12 VanDerWaalsContact O-N 3.1Å; L10-F12 PolarHBondContact O-N 2.87Å; F12-I14 VanDerWaalsContact C-N 3.31Å; F12-I14 PolarHBondContact O-N 3.3Å; F12-Q15 PolarHBondContact O-N 3.49Å; F12-Y16 HydrophobicContact CD1-CE2 4.25Å; F12-Y16 VanDerWaalsContact O-CD2 3.25Å; F12-Y16 WeakPolarHBondContact O-CD2 3.34Å; F12-Y16 PolarHBondContact O-N 2.98Å; F12-L25 HydrophobicContact CB-CD1 3.46Å; F12-L25 VanDerWaalsContact CB-CD1 3.46Å; F12-L25 HydrophobicContact CD2-CD1 4.1Å; F12-L25 HydrophobicContact CG-CD1 4.14Å; F12-L28 HydrophobicContact CB-CD1 4.48Å; F12-L28 HydrophobicContact CD1-CB 4.19Å; F12-L28 HydrophobicContact CD1-CD1 4.17Å; F12-L28 HydrophobicContact CD1-CD2 4.39Å; F12-L28 HydrophobicContact CD1-CG 4.49Å; F12-L28 HydrophobicContact CD2-CB 4.03Å; F12-L28 HydrophobicContact CE1-CB 4.02Å; F12-L28 HydrophobicContact CE1-CD2 4.09Å; F12-L28 HydrophobicContact CE1-CG 4.48Å; F12-L28 HydrophobicContact CE2-CB 3.84Å; F12-L28 HydrophobicContact CG-CB 4.2Å; F12-L28 HydrophobicContact CG-CD1 4.32Å; F12-L28 HydrophobicContact CZ-CB 3.82Å; F12-M29 HydrophobicContact CD2-CG 4.21Å; F12-M29 HydrophobicContact CD2-SD 3.85Å; F12-M29 HydrophobicContact CE2-CG 4.24Å; F12-M29 HydrophobicContact CE2-SD 3.86Å; F12-K32 HydrophobicContact CE2-CB 4.16Å; F12-K32 HydrophobicContact CE2-CD 3.67Å; F12-K32 HydrophobicContact CZ-CB 3.95Å; F12-K32 HydrophobicContact CZ-CD 3.54Å; F12-K32 HydrophobicContact CZ-CG 4.39Å
13L85.5Confident85.7Confident0 Ų050.4 Ų50.40%028%0.278CS..Hα-helixtrans-63-38.4176.3-79.2169.6000112A9 L10 E11 Y16 G17 G18 Q20 L25 F61 V68 L70A9-L13 WeakPolarHBondContact O-CG 3.46Å; A9-L13 PolarHBondContact O-N 2.99Å; L10-L13 PolarHBondContact O-N 3.47Å; E11-L13 PolarHBondContact O-N 2.91Å; L13-Y16 PolarHBondContact O-N 2.88Å; L13-G17 PolarHBondContact O-N 3.38Å; L13-G18 VanDerWaalsContact O-CA 3.27Å; L13-G18 WeakPolarHBondContact O-CA 3.43Å; L13-G18 PolarHBondContact O-N 3.05Å; L13-Q20 HydrophobicContact CD2-CB 3.8Å; L13-L25 HydrophobicContact CD1-CD2 4.37Å; L13-L25 HydrophobicContact CG-CD2 4.3Å; L13-F61 HydrophobicContact CD1-CD1 3.74Å; L13-F61 HydrophobicContact CD1-CE1 3.83Å; L13-V68 HydrophobicContact CD1-CG1 4.29Å; L13-V68 HydrophobicContact CD1-CG2 4.02Å; L13-V68 HydrophobicContact CD2-CG1 4.3Å; L13-V68 WeakPolarHBondContact CD2-O 3.34Å; L13-L70 HydrophobicContact CB-CD2 3.91Å; L13-L70 HydrophobicContact CB-CG 4.14Å; L13-L70 HydrophobicContact CD1-CD2 3.91Å
14I82.5Confident86.3Confident100 Ų10047.6 Ų47.651%0.51327%0.267SS..Hα-helixtrans-63.7-45.3174.1-67.6166.1000110.9L10 E11 F12 Y16 G17 L70L10-I14 HydrophobicContact CD2-CD1 4.2Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 WeakPolarHBondContact O-CG1 3.45Å; L10-I14 PolarHBondContact O-N 3.44Å; E11-I14 PolarHBondContact O-N 3.41Å; F12-I14 VanDerWaalsContact C-N 3.31Å; F12-I14 PolarHBondContact O-N 3.3Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 2.74Å; I14-G17 PolarHBondContact O-N 2.77Å; I14-L70 HydrophobicContact CG1-CD1 3.99Å
15Q78.2Confident86.7Confident79 Ų7945.8 Ų45.837%0.36925%0.248SC..Hα-helixtrans-59.2-41.7177.1-71.4170.62.200112.6E11 F12 G17 I293E11-Q15 WeakPolarHBondContact O-CG 3.42Å; E11-Q15 PolarHBondContact O-N 3.44Å; E11-Q15 PolarHBondContact OE1-NE2 2.89Å; F12-Q15 PolarHBondContact O-N 3.49Å; Q15-G17 PolarHBondContact O-N 2.82Å; Q15-I293 HydrophobicContact CG-CD1 3.81Å; Q15-I293 HydrophobicContact CG-CG1 4.45Å
16Y80Confident86.8Confident118 Ų11846.7 Ų46.746%0.46325%0.252SS..THydrogen-bonded Turntrans-95.126.2-177.3-66.4-72000114.2F12 L13 I14 L28F12-Y16 HydrophobicContact CD1-CE2 4.25Å; F12-Y16 VanDerWaalsContact O-CD2 3.25Å; F12-Y16 WeakPolarHBondContact O-CD2 3.34Å; F12-Y16 PolarHBondContact O-N 2.98Å; L13-Y16 PolarHBondContact O-N 2.88Å; I14-Y16 VanDerWaalsContact C-N 3.34Å; I14-Y16 PolarHBondContact O-N 2.74Å; Y16-L28 HydrophobicContact CD2-CD1 3.79Å; Y16-L28 HydrophobicContact CE2-CD1 3.4Å; Y16-L28 HydrophobicContact CE2-CD2 4.02Å; Y16-L28 HydrophobicContact CE2-CG 4.38Å
17G72.3Confident86.8Confident72 Ų7249.3 Ų49.374%0.74227%0.268SS*.THydrogen-bonded Turntrans83.520.8167.500000116.1L13 I14 Q15L13-G17 PolarHBondContact O-N 3.38Å; I14-G17 PolarHBondContact O-N 2.77Å; Q15-G17 PolarHBondContact O-N 2.82Å
18G76.1Confident86.9Confident18 Ų1845.8 Ų45.819%0.18625%0.25CC..THydrogen-bonded Turntrans88.21.2173.600000115.5L13 C69 L70L13-G18 VanDerWaalsContact O-CA 3.27Å; L13-G18 WeakPolarHBondContact O-CA 3.43Å; L13-G18 PolarHBondContact O-N 3.05Å; G18-C69 VanDerWaalsContact O-CA 3.31Å; G18-C69 WeakPolarHBondContact O-CA 3.37Å; G18-C69 WeakPolarHBondContact O-CB 3.27Å; G18-L70 PolarHBondContact O-N 3.06Å; G18-L70 VanDerWaalsContact O-N 3.14Å
19T84.1Confident87Confident67 Ų6745.5 Ų45.541%0.41125%0.248SC..EExtended strand (participates in β ladder)trans-152137.9180-64.10000110.9F67 V68 C69T19-F67 HydrophobicContact CG2-CB 4.4Å; T19-F67 HydrophobicContact CG2-CD1 4.27Å; T19-V68 WeakPolarHBondContact CA-O 3.35Å; T19-C69 HydrophobicContact CG2-CB 4.22Å; T19-C69 WeakPolarHBondContact OG1-CB 3.49Å
20Q86.7Confident87.1Confident43 Ų4346.8 Ų46.820%0.20126%0.257CS..EExtended strand (participates in β ladder)trans-150.5157.6173.7-166.543.7-103.100112L13 D24 L25 F67 V68L13-Q20 HydrophobicContact CD2-CB 3.8Å; Q20-D24 HydrophobicContact CG-CB 4.11Å; Q20-L25 HydrophobicContact CG-CB 4.37Å; Q20-F67 WeakPolarHBondContact O-CA 3.45Å; Q20-V68 PolarHBondContact N-O 2.86Å; Q20-V68 PolarHBondContact O-N 3.03Å
21S91.9Very high86.9Confident14 Ų1448.9 Ų48.910%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-66.6145.2170.8112.70000110.4K23 D24 L25 N66S21-K23 PolarHBondContact O-N 2.94Å; S21-K23 PolarHBondContact OG-N 2.79Å; S21-D24 VanDerWaalsContact CB-OD2 3.23Å; S21-D24 WeakPolarHBondContact CB-OD2 3.43Å; S21-D24 PolarHBondContact O-N 3.48Å; S21-D24 PolarHBondContact OG-N 3.49Å; S21-D24 PolarHBondContact OG-OD2 2.78Å; S21-L25 WeakPolarHBondContact O-CB 3.38Å; S21-L25 PolarHBondContact O-N 2.67Å; S21-N66 WeakPolarHBondContact CA-O 3.23Å
22I92.9Very high87Confident6 Ų651.3 Ų51.33%0.03128%0.278CS..Hα-helixtrans-60.1-31.3178.4-62.4162.9000110.9W26 F50 E51 V63 N66I22-W26 WeakPolarHBondContact O-CB 3.2Å; I22-W26 PolarHBondContact O-N 2.67Å; I22-F50 HydrophobicContact CG2-CD1 4.39Å; I22-E51 HydrophobicContact CD1-CB 4.48Å; I22-E51 HydrophobicContact CD1-CG 4.09Å; I22-E51 HydrophobicContact CG2-CB 4.15Å; I22-V63 HydrophobicContact CD1-CG1 3.83Å; I22-N66 WeakPolarHBondContact CG1-O 3.38Å; I22-N66 PolarHBondContact N-O 3.49Å
23K91.2Very high87Confident109 Ų10952.2 Ų52.247%0.47428%0.282SS..Hα-helixtrans-73.1-43.3-179.1-66.3176.4-176.5170.70111.7S21 W26 V27S21-K23 PolarHBondContact O-N 2.94Å; S21-K23 PolarHBondContact OG-N 2.79Å; K23-W26 WeakPolarHBondContact O-CB 3.27Å; K23-W26 PolarHBondContact O-N 2.93Å; K23-V27 WeakPolarHBondContact O-CG2 3.38Å; K23-V27 PolarHBondContact O-N 3.47Å
24D90.9Very high86.9Confident82 Ų8259 Ų5944%0.43931%0.313SS..Hα-helixtrans-73.9-40.1-178.5-57.3-59.4000110.6Q20 S21 W26 V27 L28Q20-D24 HydrophobicContact CG-CB 4.11Å; S21-D24 VanDerWaalsContact CB-OD2 3.23Å; S21-D24 WeakPolarHBondContact CB-OD2 3.43Å; S21-D24 PolarHBondContact O-N 3.48Å; S21-D24 PolarHBondContact OG-N 3.49Å; S21-D24 PolarHBondContact OG-OD2 2.78Å; D24-W26 VanDerWaalsContact C-N 3.32Å; D24-W26 PolarHBondContact O-N 2.96Å; D24-V27 PolarHBondContact O-N 3.09Å; D24-L28 WeakPolarHBondContact O-CG 3.47Å; D24-L28 PolarHBondContact O-N 3.18Å
25L93.4Very high86.8Confident1 Ų162.5 Ų62.51%0.00533%0.327CS..Hα-helixtrans-63.6-36.5171.3-172.664.9000112.2A9 F12 L13 Q20 S21 L28 M29 F50 L54 V68A9-L25 HydrophobicContact CB-CD2 4.42Å; F12-L25 HydrophobicContact CB-CD1 3.46Å; F12-L25 VanDerWaalsContact CB-CD1 3.46Å; F12-L25 HydrophobicContact CD2-CD1 4.1Å; F12-L25 HydrophobicContact CG-CD1 4.14Å; L13-L25 HydrophobicContact CD1-CD2 4.37Å; L13-L25 HydrophobicContact CG-CD2 4.3Å; Q20-L25 HydrophobicContact CG-CB 4.37Å; S21-L25 WeakPolarHBondContact O-CB 3.38Å; S21-L25 PolarHBondContact O-N 2.67Å; L25-L28 PolarHBondContact O-N 2.94Å; L25-M29 WeakPolarHBondContact O-CB 3.5Å; L25-M29 WeakPolarHBondContact O-CG 3.16Å; L25-M29 PolarHBondContact O-N 2.91Å; L25-F50 HydrophobicContact CB-CE1 4.12Å; L25-F50 HydrophobicContact CD2-CE1 3.91Å; L25-F50 HydrophobicContact CD2-CZ 3.84Å; L25-F50 HydrophobicContact CG-CE1 3.79Å; L25-F50 HydrophobicContact CG-CZ 3.86Å; L25-L54 HydrophobicContact CD2-CD1 4.34Å; L25-V68 HydrophobicContact CD2-CG1 3.57Å
26W93.7Very high87Confident32 Ų3261.7 Ų61.712%0.12133%0.328CS..Hα-helixtrans-62.2-42.3172.2169.7-105.9000112.3I22 K23 D24 M29 C30 F39 V43 G44 H47 F50I22-W26 WeakPolarHBondContact O-CB 3.2Å; I22-W26 PolarHBondContact O-N 2.67Å; K23-W26 WeakPolarHBondContact O-CB 3.27Å; K23-W26 PolarHBondContact O-N 2.93Å; D24-W26 VanDerWaalsContact C-N 3.32Å; D24-W26 PolarHBondContact O-N 2.96Å; W26-M29 PolarHBondContact O-N 3.31Å; W26-C30 WeakPolarHBondContact CZ2-SG 3.23Å; W26-C30 WeakPolarHBondContact O-CB 3.32Å; W26-C30 PolarHBondContact O-N 2.95Å; W26-C30 PolarHBondContact O-SG 2.67Å; W26-C30 VanDerWaalsContact O-SG 3.4Å; W26-F39 HydrophobicContact CH2-CE1 4.27Å; W26-F39 HydrophobicContact CZ3-CE1 4.16Å; W26-F39 HydrophobicContact CZ3-CZ 4.09Å; W26-V43 HydrophobicContact CZ3-CG2 3.98Å; W26-G44 WeakPolarHBondContact CH2-O 3.27Å; W26-H47 HydrophobicContact CB-CB 3.92Å; W26-H47 HydrophobicContact CD2-CB 4.3Å; W26-H47 HydrophobicContact CG-CB 3.71Å; W26-F50 HydrophobicContact CB-CD1 3.88Å; W26-F50 HydrophobicContact CB-CE1 4.33Å; W26-F50 HydrophobicContact CD2-CB 4.36Å; W26-F50 HydrophobicContact CE3-CB 3.46Å; W26-F50 VanDerWaalsContact CE3-CB 3.46Å; W26-F50 HydrophobicContact CE3-CD1 4.02Å; W26-F50 HydrophobicContact CE3-CD2 4.42Å; W26-F50 AromaticContact CE3-CG 3.73Å; W26-F50 HydrophobicContact CE3-CG 3.73Å; W26-F50 HydrophobicContact CZ3-CB 3.85Å; W26-F50 HydrophobicContact CZ3-CG 4.36Å
27V91.1Very high86.9Confident74 Ų7460.5 Ų60.545%0.44834%0.337SS..Hα-helixtrans-63.9-46.4175.5170.10000111.2K23 D24 M29 C30 N31K23-V27 WeakPolarHBondContact O-CG2 3.38Å; K23-V27 PolarHBondContact O-N 3.47Å; D24-V27 PolarHBondContact O-N 3.09Å; V27-M29 VanDerWaalsContact C-N 3.33Å; V27-M29 PolarHBondContact O-N 3.46Å; V27-C30 PolarHBondContact O-N 3.48Å; V27-N31 WeakPolarHBondContact O-CB 3.39Å; V27-N31 PolarHBondContact O-N 2.86Å; V27-N31 PolarHBondContact O-OD1 3.38Å
28L90.6Very high87.4Confident35 Ų3560.5 Ų60.518%0.18332%0.32CS..Hα-helixtrans-56.6-45.4175.7-71.6167.2000112F12 Y16 D24 L25 N31 K32F12-L28 HydrophobicContact CB-CD1 4.48Å; F12-L28 HydrophobicContact CD1-CB 4.19Å; F12-L28 HydrophobicContact CD1-CD1 4.17Å; F12-L28 HydrophobicContact CD1-CD2 4.39Å; F12-L28 HydrophobicContact CD1-CG 4.49Å; F12-L28 HydrophobicContact CD2-CB 4.03Å; F12-L28 HydrophobicContact CE1-CB 4.02Å; F12-L28 HydrophobicContact CE1-CD2 4.09Å; F12-L28 HydrophobicContact CE1-CG 4.48Å; F12-L28 HydrophobicContact CE2-CB 3.84Å; F12-L28 HydrophobicContact CG-CB 4.2Å; F12-L28 HydrophobicContact CG-CD1 4.32Å; F12-L28 HydrophobicContact CZ-CB 3.82Å; Y16-L28 HydrophobicContact CD2-CD1 3.79Å; Y16-L28 HydrophobicContact CE2-CD1 3.4Å; Y16-L28 HydrophobicContact CE2-CD2 4.02Å; Y16-L28 HydrophobicContact CE2-CG 4.38Å; D24-L28 WeakPolarHBondContact O-CG 3.47Å; D24-L28 PolarHBondContact O-N 3.18Å; L25-L28 PolarHBondContact O-N 2.94Å; L28-N31 PolarHBondContact O-N 3.4Å; L28-K32 WeakPolarHBondContact O-CB 3.47Å; L28-K32 PolarHBondContact O-N 3.43Å
29M92.7Very high87.9Confident0 Ų059.8 Ų59.80%031%0.312CS..Hα-helixtrans-66.8-42.4176.8-70.4-73.1-81.800112.4Y5 A8 A9 F12 L25 W26 V27 N31 K32 F33 F39 F50Y5-M29 WeakPolarHBondContact O-CE 3.33Å; A8-M29 HydrophobicContact CB-CE 4.21Å; A8-M29 HydrophobicContact CB-SD 3.83Å; A9-M29 HydrophobicContact CB-CE 4.17Å; A9-M29 HydrophobicContact CB-SD 4.34Å; F12-M29 HydrophobicContact CD2-CG 4.21Å; F12-M29 HydrophobicContact CD2-SD 3.85Å; F12-M29 HydrophobicContact CE2-CG 4.24Å; F12-M29 HydrophobicContact CE2-SD 3.86Å; L25-M29 WeakPolarHBondContact O-CB 3.5Å; L25-M29 WeakPolarHBondContact O-CG 3.16Å; L25-M29 PolarHBondContact O-N 2.91Å; W26-M29 PolarHBondContact O-N 3.31Å; V27-M29 VanDerWaalsContact C-N 3.33Å; V27-M29 PolarHBondContact O-N 3.46Å; M29-N31 VanDerWaalsContact C-N 3.32Å; M29-N31 PolarHBondContact O-N 3.33Å; M29-K32 PolarHBondContact O-N 3.42Å; M29-F33 HydrophobicContact CE-CD2 4.44Å; M29-F33 HydrophobicContact CE-CE2 4.01Å; M29-F33 WeakPolarHBondContact O-CD2 3.37Å; M29-F33 PolarHBondContact O-N 2.76Å; M29-F33 HydrophobicContact SD-CD2 4.38Å; M29-F33 HydrophobicContact SD-CE2 3.95Å; M29-F39 HydrophobicContact CB-CE2 4Å; M29-F39 HydrophobicContact CB-CZ 3.79Å; M29-F39 HydrophobicContact CE-CE2 4.23Å; M29-F50 HydrophobicContact CE-CE2 4.17Å; M29-F50 HydrophobicContact CG-CE2 4.32Å; M29-F50 HydrophobicContact CG-CZ 3.9Å
30C90.7Very high88Confident27 Ų2762 Ų6218%0.18232%0.315CS..Hα-helixtrans-59.7-40.7173.5-79.90000112.6W26 V27 H34W26-C30 WeakPolarHBondContact CZ2-SG 3.23Å; W26-C30 WeakPolarHBondContact O-CB 3.32Å; W26-C30 PolarHBondContact O-N 2.95Å; W26-C30 PolarHBondContact O-SG 2.67Å; W26-C30 VanDerWaalsContact O-SG 3.4Å; V27-C30 PolarHBondContact O-N 3.48Å; C30-H34 WeakPolarHBondContact O-CA 3.48Å; C30-H34 WeakPolarHBondContact O-CB 3.48Å; C30-H34 PolarHBondContact O-N 2.88Å; C30-H34 VanDerWaalsContact O-N 3.09Å
31N87.6Confident87.8Confident98 Ų9866.4 Ų66.452%0.52434%0.336SS..Hα-helixtrans-68.5-46.8179.1-67.9-8.5000110.9V27 L28 M29 F33 H34V27-N31 WeakPolarHBondContact O-CB 3.39Å; V27-N31 PolarHBondContact O-N 2.86Å; V27-N31 PolarHBondContact O-OD1 3.38Å; L28-N31 PolarHBondContact O-N 3.4Å; M29-N31 VanDerWaalsContact C-N 3.32Å; M29-N31 PolarHBondContact O-N 3.33Å; N31-F33 VanDerWaalsContact C-N 3.29Å; N31-F33 PolarHBondContact O-N 2.93Å; N31-H34 PolarHBondContact O-CD2 2.86Å
32K86.5Confident87.4Confident85 Ų8567.5 Ų67.537%0.3735%0.349SS..Hα-helixtrans-62.7-32.8179.1-173.8162.1-179.7165.10113.5A8 E11 F12 L28 M29A8-K32 HydrophobicContact CB-CD 4.45Å; E11-K32 IonicContact OE1-NZ 3.55Å; E11-K32 PolarHBondContact OE1-NZ 3.4Å; E11-K32 IonicContact OE2-NZ 2.66Å; E11-K32 PolarHBondContact OE2-NZ 3.08Å; F12-K32 HydrophobicContact CE2-CB 4.16Å; F12-K32 HydrophobicContact CE2-CD 3.67Å; F12-K32 HydrophobicContact CZ-CB 3.95Å; F12-K32 HydrophobicContact CZ-CD 3.54Å; F12-K32 HydrophobicContact CZ-CG 4.39Å; L28-K32 WeakPolarHBondContact O-CB 3.47Å; L28-K32 PolarHBondContact O-N 3.43Å; M29-K32 PolarHBondContact O-N 3.42Å
33F88.9Confident87.1Confident36 Ų3667.4 Ų67.416%0.15835%0.349CS..THydrogen-bonded Turntrans-111.621.5-175.8-63.8-69.9000114.2Y5 A8 M29 N31 Q35 V36 F39Y5-F33 HydrophobicContact CD1-CD1 4.4Å; Y5-F33 HydrophobicContact CD1-CD2 4.2Å; Y5-F33 HydrophobicContact CD1-CE1 4.1Å; Y5-F33 AromaticContact CD1-CE2 3.89Å; Y5-F33 HydrophobicContact CD1-CE2 3.89Å; Y5-F33 HydrophobicContact CD1-CG 4.45Å; Y5-F33 AromaticContact CD1-CZ 3.83Å; Y5-F33 HydrophobicContact CD1-CZ 3.83Å; Y5-F33 HydrophobicContact CE1-CD1 4.02Å; Y5-F33 HydrophobicContact CE1-CD2 4.46Å; Y5-F33 AromaticContact CE1-CE1 4Å; Y5-F33 HydrophobicContact CE1-CE1 4Å; Y5-F33 HydrophobicContact CE1-CE2 4.44Å; Y5-F33 HydrophobicContact CE1-CG 4.26Å; Y5-F33 HydrophobicContact CE1-CZ 4.21Å; A8-F33 HydrophobicContact CB-CE2 3.63Å; A8-F33 HydrophobicContact CB-CZ 3.69Å; M29-F33 HydrophobicContact CE-CD2 4.44Å; M29-F33 HydrophobicContact CE-CE2 4.01Å; M29-F33 WeakPolarHBondContact O-CD2 3.37Å; M29-F33 PolarHBondContact O-N 2.76Å; M29-F33 HydrophobicContact SD-CD2 4.38Å; M29-F33 HydrophobicContact SD-CE2 3.95Å; N31-F33 VanDerWaalsContact C-N 3.29Å; N31-F33 PolarHBondContact O-N 2.93Å; F33-Q35 PolarHBondContact O-N 3.29Å; F33-V36 HydrophobicContact CB-CB 4.45Å; F33-V36 HydrophobicContact CD1-CG2 4.11Å; F33-V36 PolarHBondContact O-N 3.01Å; F33-F39 HydrophobicContact CB-CB 3.83Å; F33-F39 HydrophobicContact CB-CD1 4.09Å; F33-F39 HydrophobicContact CB-CD2 3.45Å; F33-F39 VanDerWaalsContact CB-CD2 3.45Å; F33-F39 HydrophobicContact CB-CE2 4Å; F33-F39 HydrophobicContact CB-CG 3.5Å; F33-F39 AromaticContact CD2-CD2 3.6Å; F33-F39 HydrophobicContact CD2-CD2 3.6Å; F33-F39 AromaticContact CD2-CE2 3.61Å; F33-F39 HydrophobicContact CD2-CE2 3.61Å; F33-F39 HydrophobicContact CE2-CE2 4.48Å; F33-F39 AromaticContact CG-CD2 3.66Å; F33-F39 HydrophobicContact CG-CD2 3.66Å; F33-F39 HydrophobicContact CG-CE2 4.11Å; F33-F39 HydrophobicContact CG-CG 4.21Å
34H83.5Confident86.9Confident142 Ų14263 Ų6366%0.65733%0.334SS*.THydrogen-bonded Turntrans-59.7-21-175.761.731.7000115.1C30 N31C30-H34 WeakPolarHBondContact O-CA 3.48Å; C30-H34 WeakPolarHBondContact O-CB 3.48Å; C30-H34 PolarHBondContact O-N 2.88Å; C30-H34 VanDerWaalsContact O-N 3.09Å; N31-H34 PolarHBondContact O-CD2 2.86Å
35Q79.5Confident86.7Confident174 Ų17466.1 Ų66.181%0.81334%0.344SS*.THydrogen-bonded Turntrans-96.3-4.5178.3-85.7167.823.900113.5F33F33-Q35 PolarHBondContact O-N 3.29Å
36V83.6Confident86.5Confident63 Ų6368.6 Ų68.638%0.38236%0.361SS..  trans-100.1106.1-175.7-176.20000110F33 D38 F39F33-V36 HydrophobicContact CB-CB 4.45Å; F33-V36 HydrophobicContact CD1-CG2 4.11Å; F33-V36 PolarHBondContact O-N 3.01Å; V36-D38 HydrophobicContact CG1-CB 4.48Å; V36-D38 PolarHBondContact O-N 2.91Å; V36-D38 VanDerWaalsContact O-N 3.12Å; V36-F39 HydrophobicContact CB-CB 4.21Å; V36-F39 HydrophobicContact CG1-CB 4.32Å; V36-F39 WeakPolarHBondContact O-CB 3.29Å; V36-F39 PolarHBondContact O-N 3.05Å
37S76.2Confident86.4Confident93 Ų9370.8 Ų70.865%0.6537%0.373SS*.THydrogen-bonded Turntrans-51.1-35.917851.30000113.6H41S37-H41 PolarHBondContact O-ND1 3.42Å
38D83.3Confident86.3Confident71 Ų7171.5 Ų71.538%0.3837%0.371SS..THydrogen-bonded Turntrans-90.1-9.3-168.4-65.515.1000112.3M1 V36 K40 H41 G42M1-D38 HydrophobicContact CE-CB 4.07Å; M1-D38 WeakPolarHBondContact CE-OD2 3.26Å; V36-D38 HydrophobicContact CG1-CB 4.48Å; V36-D38 PolarHBondContact O-N 2.91Å; V36-D38 VanDerWaalsContact O-N 3.12Å; D38-K40 PolarHBondContact O-N 3.05Å; D38-H41 CarbonylContact O-C 3.58Å; D38-H41 WeakPolarHBondContact O-CA 3.43Å; D38-H41 WeakPolarHBondContact O-CB 3.49Å; D38-H41 PolarHBondContact O-N 2.74Å; D38-G42 PolarHBondContact O-N 2.96Å
39F86.9Confident86.3Confident4 Ų471.5 Ų71.52%0.01837%0.374CS..Hα-helixtrans-55.9-51.8175.3167.9-102.8000110.8Y5 W26 M29 F33 V36 H41 G42 V43Y5-F39 AromaticContact CD1-CD2 3.95Å; Y5-F39 HydrophobicContact CD1-CD2 3.95Å; Y5-F39 HydrophobicContact CE1-CB 4.33Å; Y5-F39 AromaticContact CE1-CD2 3.85Å; Y5-F39 HydrophobicContact CE1-CD2 3.85Å; Y5-F39 WeakPolarHBondContact OH-CA 3.47Å; Y5-F39 PolarHBondContact OH-N 3.44Å; W26-F39 HydrophobicContact CH2-CE1 4.27Å; W26-F39 HydrophobicContact CZ3-CE1 4.16Å; W26-F39 HydrophobicContact CZ3-CZ 4.09Å; M29-F39 HydrophobicContact CB-CE2 4Å; M29-F39 HydrophobicContact CB-CZ 3.79Å; M29-F39 HydrophobicContact CE-CE2 4.23Å; F33-F39 HydrophobicContact CB-CB 3.83Å; F33-F39 HydrophobicContact CB-CD1 4.09Å; F33-F39 HydrophobicContact CB-CD2 3.45Å; F33-F39 VanDerWaalsContact CB-CD2 3.45Å; F33-F39 HydrophobicContact CB-CE2 4Å; F33-F39 HydrophobicContact CB-CG 3.5Å; F33-F39 AromaticContact CD2-CD2 3.6Å; F33-F39 HydrophobicContact CD2-CD2 3.6Å; F33-F39 AromaticContact CD2-CE2 3.61Å; F33-F39 HydrophobicContact CD2-CE2 3.61Å; F33-F39 HydrophobicContact CE2-CE2 4.48Å; F33-F39 AromaticContact CG-CD2 3.66Å; F33-F39 HydrophobicContact CG-CD2 3.66Å; F33-F39 HydrophobicContact CG-CE2 4.11Å; F33-F39 HydrophobicContact CG-CG 4.21Å; V36-F39 HydrophobicContact CB-CB 4.21Å; V36-F39 HydrophobicContact CG1-CB 4.32Å; V36-F39 WeakPolarHBondContact O-CB 3.29Å; V36-F39 PolarHBondContact O-N 3.05Å; F39-H41 PolarHBondContact O-N 3Å; F39-H41 VanDerWaalsContact O-N 3.1Å; F39-G42 PolarHBondContact O-N 3.38Å; F39-G42 VanDerWaalsContact O-N 3.09Å; F39-V43 HydrophobicContact CD1-CG2 4.35Å; F39-V43 HydrophobicContact CD2-CG2 3.76Å; F39-V43 HydrophobicContact CE1-CG2 3.99Å; F39-V43 HydrophobicContact CE2-CG1 4.41Å; F39-V43 HydrophobicContact CE2-CG2 3.38Å; F39-V43 HydrophobicContact CG-CG2 4.23Å; F39-V43 HydrophobicContact CZ-CG2 3.49Å; F39-V43 VanDerWaalsContact CZ-CG2 3.49Å; F39-V43 VanDerWaalsContact O-CG2 3.29Å; F39-V43 WeakPolarHBondContact O-CG2 3.4Å; F39-V43 PolarHBondContact O-N 2.94Å
40K85.6Confident86.3Confident112 Ų11271.5 Ų71.549%0.48737%0.374SS..Hα-helixtrans-69.8-6.2178.7-64.6-172.9-178.7175.70114.2D38 G44 K45D38-K40 PolarHBondContact O-N 3.05Å; K40-G44 VanDerWaalsContact CA-O 3.28Å; K40-G44 WeakPolarHBondContact CA-O 3.3Å; K40-G44 CarbonylContact O-C 3.56Å; K40-G44 VanDerWaalsContact O-C 3.22Å; K40-G44 WeakPolarHBondContact O-CA 3.41Å; K40-K45 HydrophobicContact CB-CG 4.33Å; K40-K45 WeakPolarHBondContact O-CG 3.28Å
41H84Confident86.5Confident137 Ų13772.5 Ų72.563%0.63438%0.376SS*.Hα-helixtrans-96.5-34.5170.4-66.3105.9000111.9S37 D38 F39S37-H41 PolarHBondContact O-ND1 3.42Å; D38-H41 CarbonylContact O-C 3.58Å; D38-H41 WeakPolarHBondContact O-CA 3.43Å; D38-H41 WeakPolarHBondContact O-CB 3.49Å; D38-H41 PolarHBondContact O-N 2.74Å; F39-H41 PolarHBondContact O-N 3Å; F39-H41 VanDerWaalsContact O-N 3.1Å
42G82.4Confident86.6Confident36 Ų3673.7 Ų73.737%0.37138%0.376SS..Hα-helixtrans-80.5-39.3179.600000115.3D38 F39 F53D38-G42 PolarHBondContact O-N 2.96Å; F39-G42 PolarHBondContact O-N 3.38Å; F39-G42 VanDerWaalsContact O-N 3.09Å; G42-F53 WeakPolarHBondContact O-CD2 3.39Å
43V87.3Confident86.9Confident4 Ų470.6 Ų70.62%0.02436%0.363CS..THydrogen-bonded Turntrans-107.7-5.3176.8-600000114Y5 W26 F39 S49 F50 F53Y5-V43 HydrophobicContact CD2-CG1 3.87Å; Y5-V43 HydrophobicContact CG-CG1 3.87Å; W26-V43 HydrophobicContact CZ3-CG2 3.98Å; F39-V43 HydrophobicContact CD1-CG2 4.35Å; F39-V43 HydrophobicContact CD2-CG2 3.76Å; F39-V43 HydrophobicContact CE1-CG2 3.99Å; F39-V43 HydrophobicContact CE2-CG1 4.41Å; F39-V43 HydrophobicContact CE2-CG2 3.38Å; F39-V43 HydrophobicContact CG-CG2 4.23Å; F39-V43 HydrophobicContact CZ-CG2 3.49Å; F39-V43 VanDerWaalsContact CZ-CG2 3.49Å; F39-V43 VanDerWaalsContact O-CG2 3.29Å; F39-V43 WeakPolarHBondContact O-CG2 3.4Å; F39-V43 PolarHBondContact O-N 2.94Å; V43-S49 CarbonylContact O-C 3.57Å; V43-F50 HydrophobicContact CB-CD2 4.1Å; V43-F50 HydrophobicContact CG1-CD2 4.44Å; V43-F50 PolarHBondContact O-N 3Å; V43-F53 HydrophobicContact CB-CD1 4.36Å; V43-F53 HydrophobicContact CB-CD2 4.36Å; V43-F53 HydrophobicContact CB-CG 4.17Å; V43-F53 HydrophobicContact CG1-CD1 3.83Å; V43-F53 HydrophobicContact CG1-CD2 3.97Å; V43-F53 HydrophobicContact CG1-CE1 3.74Å; V43-F53 HydrophobicContact CG1-CE2 3.88Å; V43-F53 HydrophobicContact CG1-CG 3.95Å; V43-F53 HydrophobicContact CG1-CZ 3.76Å
44G86.4Confident87.1Confident16 Ų1668.9 Ų68.917%0.16536%0.355CS..  trans92.3-177.6-17800000114.7W26 K40 S49W26-G44 WeakPolarHBondContact CH2-O 3.27Å; K40-G44 VanDerWaalsContact CA-O 3.28Å; K40-G44 WeakPolarHBondContact CA-O 3.3Å; K40-G44 CarbonylContact O-C 3.56Å; K40-G44 VanDerWaalsContact O-C 3.22Å; K40-G44 WeakPolarHBondContact O-CA 3.41Å; G44-S49 WeakPolarHBondContact CA-OG 3.2Å
45K86.6Confident87.5Confident149 Ų14966.3 Ų66.365%0.64835%0.346SS*.SBendtrans-102.8-6.9-164.6-60.1-175.7178.6-177.10114.6K40 S49K40-K45 HydrophobicContact CB-CG 4.33Å; K40-K45 WeakPolarHBondContact O-CG 3.28Å; K45-S49 PolarHBondContact N-OG 2.82Å
46S90.1Very high88Confident52 Ų5261.7 Ų61.736%0.36433%0.333SS..SBendtrans-148166178.671.60000112.5H48 S49 F50S46-H48 PolarHBondContact O-N 3.18Å; S46-S49 PolarHBondContact N-OG 3.23Å; S46-S49 PolarHBondContact O-N 3.42Å; S46-S49 PolarHBondContact O-OG 2.79Å; S46-F50 PolarHBondContact O-N 2.87Å
47H90.2Very high88.2Confident79 Ų7960.4 Ų60.437%0.36632%0.324SS..Hα-helixtrans-55.5-33.6176.566.8-93.3000113.3W26 F50 E51W26-H47 HydrophobicContact CB-CB 3.92Å; W26-H47 HydrophobicContact CD2-CB 4.3Å; W26-H47 HydrophobicContact CG-CB 3.71Å; H47-F50 PolarHBondContact O-N 2.86Å; H47-E51 WeakPolarHBondContact O-CB 3.14Å; H47-E51 PolarHBondContact O-N 2.92Å
48H89.1Confident88.7Confident89 Ų8959.9 Ų59.941%0.41232%0.318SS..Hα-helixtrans-76-20.5177-176.258.4000113.8S46 E51 K52S46-H48 PolarHBondContact O-N 3.18Å; H48-E51 IonicContact CE1-OE2 3.14Å; H48-E51 IonicContact CG-OE2 2.68Å; H48-E51 IonicContact ND1-OE2 2.72Å; H48-E51 PolarHBondContact ND1-OE2 2.8Å; H48-K52 WeakPolarHBondContact NE2-CE 3.38Å; H48-K52 PolarHBondContact NE2-NZ 3.42Å
49S90.9Very high88.8Confident35 Ų3562.1 Ų62.125%0.24533%0.334CS..Hα-helixtrans-81.1-33165.2490000112.2V43 G44 K45 S46 K52 F53V43-S49 CarbonylContact O-C 3.57Å; G44-S49 WeakPolarHBondContact CA-OG 3.2Å; K45-S49 PolarHBondContact N-OG 2.82Å; S46-S49 PolarHBondContact N-OG 3.23Å; S46-S49 PolarHBondContact O-N 3.42Å; S46-S49 PolarHBondContact O-OG 2.79Å; S49-K52 PolarHBondContact O-N 3.32Å; S49-F53 PolarHBondContact O-N 3.18Å; S49-F53 VanDerWaalsContact O-N 3.08Å
50F93.9Very high88.8Confident0 Ų064.5 Ų64.50%035%0.347CS..Hα-helixtrans-67.8-38.2174.4176.5-123000112.3A9 I22 L25 W26 M29 V43 S46 H47 K52 F53 L54A9-F50 HydrophobicContact CB-CZ 4.44Å; I22-F50 HydrophobicContact CG2-CD1 4.39Å; L25-F50 HydrophobicContact CB-CE1 4.12Å; L25-F50 HydrophobicContact CD2-CE1 3.91Å; L25-F50 HydrophobicContact CD2-CZ 3.84Å; L25-F50 HydrophobicContact CG-CE1 3.79Å; L25-F50 HydrophobicContact CG-CZ 3.86Å; W26-F50 HydrophobicContact CB-CD1 3.88Å; W26-F50 HydrophobicContact CB-CE1 4.33Å; W26-F50 HydrophobicContact CD2-CB 4.36Å; W26-F50 HydrophobicContact CE3-CB 3.46Å; W26-F50 VanDerWaalsContact CE3-CB 3.46Å; W26-F50 HydrophobicContact CE3-CD1 4.02Å; W26-F50 HydrophobicContact CE3-CD2 4.42Å; W26-F50 AromaticContact CE3-CG 3.73Å; W26-F50 HydrophobicContact CE3-CG 3.73Å; W26-F50 HydrophobicContact CZ3-CB 3.85Å; W26-F50 HydrophobicContact CZ3-CG 4.36Å; M29-F50 HydrophobicContact CE-CE2 4.17Å; M29-F50 HydrophobicContact CG-CE2 4.32Å; M29-F50 HydrophobicContact CG-CZ 3.9Å; V43-F50 HydrophobicContact CB-CD2 4.1Å; V43-F50 HydrophobicContact CG1-CD2 4.44Å; V43-F50 PolarHBondContact O-N 3Å; S46-F50 PolarHBondContact O-N 2.87Å; H47-F50 PolarHBondContact O-N 2.86Å; F50-K52 VanDerWaalsContact C-N 3.28Å; F50-K52 PolarHBondContact O-N 3.19Å; F50-F53 HydrophobicContact CD2-CD1 4.09Å; F50-F53 HydrophobicContact CE2-CD1 4.14Å; F50-F53 CarbonylContact O-C 3.6Å; F50-F53 WeakPolarHBondContact O-CA 3.32Å; F50-F53 WeakPolarHBondContact O-CB 3.49Å; F50-F53 PolarHBondContact O-N 2.83Å; F50-L54 HydrophobicContact CD1-CD1 4.05Å; F50-L54 HydrophobicContact CD2-CG 4.4Å; F50-L54 HydrophobicContact CE1-CD1 3.73Å; F50-L54 HydrophobicContact CE1-CG 4.34Å; F50-L54 HydrophobicContact CE2-CD1 4.38Å; F50-L54 HydrophobicContact CE2-CD2 4.07Å; F50-L54 HydrophobicContact CE2-CG 4.09Å; F50-L54 HydrophobicContact CZ-CD1 3.91Å; F50-L54 HydrophobicContact CZ-CD2 3.96Å; F50-L54 HydrophobicContact CZ-CG 4.06Å; F50-L54 WeakPolarHBondContact O-CG 3.48Å; F50-L54 PolarHBondContact O-N 3.39Å
51E93.6Very high89.1Confident47 Ų4759.3 Ų59.322%0.2232%0.324CS..Hα-helixtrans-49.2-47.9166.1179.2-175.9169.200111.8I22 H47 H48 F53 L54 L55I22-E51 HydrophobicContact CD1-CB 4.48Å; I22-E51 HydrophobicContact CD1-CG 4.09Å; I22-E51 HydrophobicContact CG2-CB 4.15Å; H47-E51 WeakPolarHBondContact O-CB 3.14Å; H47-E51 PolarHBondContact O-N 2.92Å; H48-E51 IonicContact CE1-OE2 3.14Å; H48-E51 IonicContact CG-OE2 2.68Å; H48-E51 IonicContact ND1-OE2 2.72Å; H48-E51 PolarHBondContact ND1-OE2 2.8Å; E51-F53 VanDerWaalsContact C-N 3.3Å; E51-F53 PolarHBondContact O-N 3.45Å; E51-L54 PolarHBondContact O-N 3.4Å; E51-L55 HydrophobicContact CG-CD1 4.06Å; E51-L55 WeakPolarHBondContact O-CB 3.48Å; E51-L55 VanDerWaalsContact O-CG 3.28Å; E51-L55 WeakPolarHBondContact O-CG 3.24Å; E51-L55 PolarHBondContact O-N 3.34Å
52K90.5Very high89.4Confident124 Ų12456.4 Ų56.454%0.53931%0.314SS..Hα-helixtrans-69.6-25.3177.9-66.5174.5-171.4174.20113.4H48 S49 F50 S56H48-K52 WeakPolarHBondContact NE2-CE 3.38Å; H48-K52 PolarHBondContact NE2-NZ 3.42Å; S49-K52 PolarHBondContact O-N 3.32Å; F50-K52 VanDerWaalsContact C-N 3.28Å; F50-K52 PolarHBondContact O-N 3.19Å; K52-S56 PolarHBondContact O-N 3.37Å
53F93.1Very high89.8Confident20 Ų2056.1 Ų56.19%0.08831%0.305CS..Hα-helixtrans-76.2-36.1171.8172.5-87.4000112.5I6 G42 V43 S49 F50 E51 S56 N57I6-F53 HydrophobicContact CG1-CE1 4.06Å; I6-F53 HydrophobicContact CG1-CZ 3.72Å; G42-F53 WeakPolarHBondContact O-CD2 3.39Å; V43-F53 HydrophobicContact CB-CD1 4.36Å; V43-F53 HydrophobicContact CB-CD2 4.36Å; V43-F53 HydrophobicContact CB-CG 4.17Å; V43-F53 HydrophobicContact CG1-CD1 3.83Å; V43-F53 HydrophobicContact CG1-CD2 3.97Å; V43-F53 HydrophobicContact CG1-CE1 3.74Å; V43-F53 HydrophobicContact CG1-CE2 3.88Å; V43-F53 HydrophobicContact CG1-CG 3.95Å; V43-F53 HydrophobicContact CG1-CZ 3.76Å; S49-F53 PolarHBondContact O-N 3.18Å; S49-F53 VanDerWaalsContact O-N 3.08Å; F50-F53 HydrophobicContact CD2-CD1 4.09Å; F50-F53 HydrophobicContact CE2-CD1 4.14Å; F50-F53 CarbonylContact O-C 3.6Å; F50-F53 WeakPolarHBondContact O-CA 3.32Å; F50-F53 WeakPolarHBondContact O-CB 3.49Å; F50-F53 PolarHBondContact O-N 2.83Å; E51-F53 VanDerWaalsContact C-N 3.3Å; E51-F53 PolarHBondContact O-N 3.45Å; F53-S56 PolarHBondContact O-OG 3.28Å; F53-N57 PolarHBondContact O-ND2 3.12Å
54L93.3Very high89.7Confident0 Ų059.4 Ų59.40%033%0.325CS..Hα-helixtrans-68.1-46.1172.4-65.7168.2000110.4A9 L25 F50 E51 S56 N57 F61 V63 V68A9-L54 HydrophobicContact CB-CD2 4.25Å; L25-L54 HydrophobicContact CD2-CD1 4.34Å; F50-L54 HydrophobicContact CD1-CD1 4.05Å; F50-L54 HydrophobicContact CD2-CG 4.4Å; F50-L54 HydrophobicContact CE1-CD1 3.73Å; F50-L54 HydrophobicContact CE1-CG 4.34Å; F50-L54 HydrophobicContact CE2-CD1 4.38Å; F50-L54 HydrophobicContact CE2-CD2 4.07Å; F50-L54 HydrophobicContact CE2-CG 4.09Å; F50-L54 HydrophobicContact CZ-CD1 3.91Å; F50-L54 HydrophobicContact CZ-CD2 3.96Å; F50-L54 HydrophobicContact CZ-CG 4.06Å; F50-L54 WeakPolarHBondContact O-CG 3.48Å; F50-L54 PolarHBondContact O-N 3.39Å; E51-L54 PolarHBondContact O-N 3.4Å; L54-S56 PolarHBondContact O-N 3.02Å; L54-N57 PolarHBondContact O-N 3.3Å; L54-F61 HydrophobicContact CB-CB 4.49Å; L54-F61 HydrophobicContact CB-CD2 4.35Å; L54-F61 HydrophobicContact CD2-CD1 4.25Å; L54-F61 HydrophobicContact CD2-CD2 3.65Å; L54-F61 HydrophobicContact CD2-CE1 4.33Å; L54-F61 HydrophobicContact CD2-CE2 3.74Å; L54-F61 HydrophobicContact CD2-CG 3.92Å; L54-F61 HydrophobicContact CD2-CZ 4.1Å; L54-V63 HydrophobicContact CB-CG2 4.14Å; L54-V68 HydrophobicContact CD1-CB 4.17Å; L54-V68 HydrophobicContact CD1-CG1 3.97Å; L54-V68 HydrophobicContact CD1-CG2 4.22Å
55L91.3Very high89.6Confident87 Ų8764.6 Ų64.646%0.45535%0.349SS..THydrogen-bonded Turntrans-61.2-20.3176.3-75.3168.7000114.4E51 N57 V63E51-L55 HydrophobicContact CG-CD1 4.06Å; E51-L55 WeakPolarHBondContact O-CB 3.48Å; E51-L55 VanDerWaalsContact O-CG 3.28Å; E51-L55 WeakPolarHBondContact O-CG 3.24Å; E51-L55 PolarHBondContact O-N 3.34Å; L55-N57 PolarHBondContact O-N 3.12Å; L55-V63 HydrophobicContact CD2-CB 3.79Å; L55-V63 HydrophobicContact CD2-CG1 4.4Å; L55-V63 HydrophobicContact CD2-CG2 4Å; L55-V63 HydrophobicContact CG-CB 4.32Å; L55-V63 HydrophobicContact CG-CG2 4.18Å
56S90.2Very high89.6Confident78 Ų7862 Ų6255%0.54534%0.342SS..THydrogen-bonded Turntrans-80.1-4.4173.568.90000113.7K52 F53 L54 P58K52-S56 PolarHBondContact O-N 3.37Å; F53-S56 PolarHBondContact O-OG 3.28Å; L54-S56 PolarHBondContact O-N 3.02Å; S56-P58 WeakPolarHBondContact O-CD 3.5Å
57N88.1Confident89.6Confident35 Ų3564.2 Ų64.219%0.18735%0.345CS..  trans-125.755.5179.4-62.4-81.5000112.3I6 F53 L54 L55 T59 I60 F61I6-N57 WeakPolarHBondContact CD1-OD1 3.33Å; F53-N57 PolarHBondContact O-ND2 3.12Å; L54-N57 PolarHBondContact O-N 3.3Å; L55-N57 PolarHBondContact O-N 3.12Å; N57-T59 PolarHBondContact O-N 3.26Å; N57-T59 VanDerWaalsContact O-N 3.13Å; N57-I60 PolarHBondContact O-N 3.4Å; N57-F61 HydrophobicContact CB-CD2 3.98Å; N57-F61 HydrophobicContact CB-CE2 4.28Å; N57-F61 PolarHBondContact O-N 3.24Å
58P86.1Confident89.7Confident83 Ų8360.5 Ų60.554%0.53933%0.328SS..THydrogen-bonded Turntrans-66.7-16.8-171.229.2-37.4000114.4S56 I60 F61 T71S56-P58 WeakPolarHBondContact O-CD 3.5Å; P58-I60 PolarHBondContact O-N 3.1Å; P58-F61 WeakPolarHBondContact CA-O 3.33Å; P58-T71 PolarHBondContact O-OG1 3.09Å
59T84.3Confident89.6Confident117 Ų11757.7 Ų57.772%0.71832%0.318SS*.THydrogen-bonded Turntrans-68.2-16.2172.946.30000113.5N57N57-T59 PolarHBondContact O-N 3.26Å; N57-T59 VanDerWaalsContact O-N 3.13Å
60I87.8Confident89.2Confident54 Ų5458.4 Ų58.428%0.27732%0.319SS..THydrogen-bonded Turntrans-118.9-42.6-177.4-57.5173.2000110.5I6 L10 N57 P58 L70 T71I6-I60 HydrophobicContact CG2-CD1 3.59Å; L10-I60 HydrophobicContact CD1-CG2 3.52Å; N57-I60 PolarHBondContact O-N 3.4Å; P58-I60 PolarHBondContact O-N 3.1Å; I60-L70 WeakPolarHBondContact O-CA 3.16Å; I60-T71 PolarHBondContact O-N 3.35Å; I60-T71 PolarHBondContact O-OG1 3.36Å
61F91.9Very high88.5Confident4 Ų460.8 Ų60.82%0.01833%0.333CS..EExtended strand (participates in β ladder)trans-115.8125-174.8-53.4-58.4000111.6I6 A9 L13 L54 N57 P58 V68 T71I6-F61 HydrophobicContact CG2-CE2 3.97Å; I6-F61 HydrophobicContact CG2-CZ 4.07Å; A9-F61 HydrophobicContact CB-CE1 4.22Å; A9-F61 HydrophobicContact CB-CZ 3.8Å; L13-F61 HydrophobicContact CD1-CD1 3.74Å; L13-F61 HydrophobicContact CD1-CE1 3.83Å; L54-F61 HydrophobicContact CB-CB 4.49Å; L54-F61 HydrophobicContact CB-CD2 4.35Å; L54-F61 HydrophobicContact CD2-CD1 4.25Å; L54-F61 HydrophobicContact CD2-CD2 3.65Å; L54-F61 HydrophobicContact CD2-CE1 4.33Å; L54-F61 HydrophobicContact CD2-CE2 3.74Å; L54-F61 HydrophobicContact CD2-CG 3.92Å; L54-F61 HydrophobicContact CD2-CZ 4.1Å; N57-F61 HydrophobicContact CB-CD2 3.98Å; N57-F61 HydrophobicContact CB-CE2 4.28Å; N57-F61 PolarHBondContact O-N 3.24Å; P58-F61 WeakPolarHBondContact CA-O 3.33Å; F61-V68 HydrophobicContact CB-CG2 3.75Å; F61-V68 HydrophobicContact CD1-CG2 4.07Å; F61-V68 HydrophobicContact CG-CG2 4.17Å; F61-T71 PolarHBondContact N-OG1 3.48Å
62N90.3Very high86.9Confident76 Ų7663.4 Ų63.441%0.40635%0.349SS..EExtended strand (participates in β ladder)trans-99.5132.5164.4-17922.3000108.4V68 C69 T71N62-V68 CarbonylContact O-C 3.56Å; N62-V68 WeakPolarHBondContact O-CA 3.48Å; N62-C69 PolarHBondContact N-O 3.27Å; N62-C69 PolarHBondContact O-N 2.87Å; N62-T71 PolarHBondContact N-OG1 2.98Å
63V90.4Very high84.9Confident30 Ų3063.2 Ų63.218%0.18235%0.352CS..EExtended strand (participates in β ladder)trans-119.8118.2-175.1-176.90000108.9I22 L54 L55 F67 V68I22-V63 HydrophobicContact CD1-CG1 3.83Å; L54-V63 HydrophobicContact CB-CG2 4.14Å; L55-V63 HydrophobicContact CD2-CB 3.79Å; L55-V63 HydrophobicContact CD2-CG1 4.4Å; L55-V63 HydrophobicContact CD2-CG2 4Å; L55-V63 HydrophobicContact CG-CB 4.32Å; L55-V63 HydrophobicContact CG-CG2 4.18Å; V63-F67 CarbonylContact C-O 3.59Å; V63-F67 WeakPolarHBondContact CA-O 3.39Å; V63-V68 HydrophobicContact CG2-CB 4.24Å; V63-V68 HydrophobicContact CG2-CG2 4.07Å
64V84.9Confident82.1Confident73 Ų7366.1 Ų66.144%0.44238%0.375SS..EExtended strand (participates in β ladder)trans-131.6123.7-174.2-174.70000109.3N66 F67V64-N66 PolarHBondContact O-N 3.3Å; V64-F67 PolarHBondContact N-O 3.08Å; V64-F67 PolarHBondContact O-N 2.71Å
65D84.2Confident79.1Confident125 Ų12571.9 Ų71.967%0.66841%0.406SS*.THydrogen-bonded Turntrans52.3-84.5-173.8-63-36000114.9
66N88.1Confident76.1Confident94 Ų9473.7 Ų73.750%0.50342%0.423SS..THydrogen-bonded Turntrans-134.59.2179.9-79-105000112.1S21 I22 V64S21-N66 WeakPolarHBondContact CA-O 3.23Å; I22-N66 WeakPolarHBondContact CG1-O 3.38Å; I22-N66 PolarHBondContact N-O 3.49Å; V64-N66 PolarHBondContact O-N 3.3Å
67F89.4Confident73.2Confident99 Ų9976.3 Ų76.343%0.43443%0.43SS..EExtended strand (participates in β ladder)trans-115.1149.5-177.5-68.1-90.2000110.6T19 Q20 V63 V64T19-F67 HydrophobicContact CG2-CB 4.4Å; T19-F67 HydrophobicContact CG2-CD1 4.27Å; Q20-F67 WeakPolarHBondContact O-CA 3.45Å; V63-F67 CarbonylContact C-O 3.59Å; V63-F67 WeakPolarHBondContact CA-O 3.39Å; V64-F67 PolarHBondContact N-O 3.08Å; V64-F67 PolarHBondContact O-N 2.71Å
68V91.4Very high70.6Confident0 Ų082.9 Ų82.90%046%0.46CS..EExtended strand (participates in β ladder)trans-118132.2166.955.10000108.7L13 T19 Q20 L25 L54 F61 N62 V63L13-V68 HydrophobicContact CD1-CG1 4.29Å; L13-V68 HydrophobicContact CD1-CG2 4.02Å; L13-V68 HydrophobicContact CD2-CG1 4.3Å; L13-V68 WeakPolarHBondContact CD2-O 3.34Å; T19-V68 WeakPolarHBondContact CA-O 3.35Å; Q20-V68 PolarHBondContact N-O 2.86Å; Q20-V68 PolarHBondContact O-N 3.03Å; L25-V68 HydrophobicContact CD2-CG1 3.57Å; L54-V68 HydrophobicContact CD1-CB 4.17Å; L54-V68 HydrophobicContact CD1-CG1 3.97Å; L54-V68 HydrophobicContact CD1-CG2 4.22Å; F61-V68 HydrophobicContact CB-CG2 3.75Å; F61-V68 HydrophobicContact CD1-CG2 4.07Å; F61-V68 HydrophobicContact CG-CG2 4.17Å; N62-V68 CarbonylContact O-C 3.56Å; N62-V68 WeakPolarHBondContact O-CA 3.48Å; V63-V68 HydrophobicContact CG2-CB 4.24Å; V63-V68 HydrophobicContact CG2-CG2 4.07Å
69C87.4Confident67.8Low30 Ų3087.4 Ų87.420%0.20348%0.479CS..EExtended strand (participates in β ladder)trans-124.3162.5174.258.50000110.2G18 T19 N62G18-C69 VanDerWaalsContact O-CA 3.31Å; G18-C69 WeakPolarHBondContact O-CA 3.37Å; G18-C69 WeakPolarHBondContact O-CB 3.27Å; T19-C69 HydrophobicContact CG2-CB 4.22Å; T19-C69 WeakPolarHBondContact OG1-CB 3.49Å; N62-C69 PolarHBondContact N-O 3.27Å; N62-C69 PolarHBondContact O-N 2.87Å
70L84.1Confident65.3Low51 Ų5190.7 Ų90.727%0.26749%0.487SS..EExtended strand (participates in β ladder)trans-71133.5173.1-60.9176.8000109.5L10 L13 I14 G18 I60 D72L10-L70 HydrophobicContact CD1-CD2 3.67Å; L13-L70 HydrophobicContact CB-CD2 3.91Å; L13-L70 HydrophobicContact CB-CG 4.14Å; L13-L70 HydrophobicContact CD1-CD2 3.91Å; I14-L70 HydrophobicContact CG1-CD1 3.99Å; G18-L70 PolarHBondContact O-N 3.06Å; G18-L70 VanDerWaalsContact O-N 3.14Å; I60-L70 WeakPolarHBondContact O-CA 3.16Å; L70-D72 PolarHBondContact O-N 2.88Å
71T78.3Confident62.6Low50 Ų5096.5 Ų96.531%0.30751%0.51SS..  trans-66.5103179-56.50000109.9P58 I60 F61 N62 I73P58-T71 PolarHBondContact O-OG1 3.09Å; I60-T71 PolarHBondContact O-N 3.35Å; I60-T71 PolarHBondContact O-OG1 3.36Å; F61-T71 PolarHBondContact N-OG1 3.48Å; N62-T71 PolarHBondContact N-OG1 2.98Å; T71-I73 PolarHBondContact O-N 3.47Å
72D59.6Low59.6Low101 Ų101103.2 Ų103.254%0.5455%0.546SS..  trans-71.3114.8-178.1-1747.3000111.3L70 S74L70-D72 PolarHBondContact O-N 2.88Å; D72-S74 PolarHBondContact O-N 3.48Å; D72-S74 VanDerWaalsContact O-N 3.14Å; D72-S74 WeakPolarHBondContact OD1-CB 3.33Å; D72-S74 PolarHBondContact OD1-N 2.8Å; D72-S74 PolarHBondContact OD1-OG 2.87Å; D72-S74 WeakPolarHBondContact OD2-CB 3.36Å
73I48.4Very low56.6Low120 Ų120105.6 Ų105.662%0.61557%0.567SS**THydrogen-bonded Turntrans-68-9.9179-58.4174.7000111.2T71 I108T71-I73 PolarHBondContact O-N 3.47Å; I73-I108 HydrophobicContact CG2-CD1 3.86Å; I73-I108 HydrophobicContact CG2-CG1 4.23Å
74S34.1Very low53.6Low81 Ų81108.6 Ų108.657%0.56659%0.587SS**THydrogen-bonded Turntrans-76.9-19.8-174.1-48.20000115.9D72D72-S74 PolarHBondContact O-N 3.48Å; D72-S74 VanDerWaalsContact O-N 3.14Å; D72-S74 WeakPolarHBondContact OD1-CB 3.33Å; D72-S74 PolarHBondContact OD1-N 2.8Å; D72-S74 PolarHBondContact OD1-OG 2.87Å; D72-S74 WeakPolarHBondContact OD2-CB 3.36Å
75N30.9Very low51Low122 Ų122113.1 Ų113.165%0.65260%0.603SS**  trans-133.294.1-170.7-91-33.4000114.5L77N75-L77 PolarHBondContact O-N 3.49Å
76P27.8Very low48.5Very low124 Ų124116.3 Ų116.381%0.80561%0.614SS**  trans-86.342167.236.3-35.2000112.7
77L30Very low45.5Very low133 Ų133120.4 Ų120.470%0.69662%0.623SS**  trans-132.8136.2168.7-100.185.5000105.9N75N75-L77 PolarHBondContact O-N 3.49Å
78E32.5Very low42.8Very low174 Ų174123.4 Ų123.481%0.81364%0.644SS**  cis-130.9143.214.2-61.3171.3145.600110.2
79N28.4Very low39.8Very low178 Ų178127.8 Ų127.895%0.95268%0.675SS**  trans-136.745.9178.9-132.3-18.2000110.7
80E32.1Very low37Very low186 Ų186138 Ų13887%0.86971%0.709SS**  trans-140.7174.9169.7-143161.9-159.100110.7
81K30.1Very low34.2Very low175 Ų175141.4 Ų141.476%0.76174%0.736SS**  trans-96.1170.4-150.6-61.6163.7-176.4159.70114.4
82D29.5Very low31.8Very low145 Ų145146.5 Ų146.578%0.77576%0.761SS**  trans72.787.6155.1-52.7-40.3000118.2
83C27Very low30.4Very low127 Ų127148.5 Ų148.586%0.85877%0.772SS**  -176.1157.2107.9-93.50000113.7
84P28.7Very low29.5Very low92 Ų92150.1 Ų150.160%0.59778%0.782SS**  trans-107.8163.9-172.241.1-35.6000115.7
85H28.9Very low29.1Very low169 Ų169150.7 Ų150.778%0.78279%0.786SS**  trans67.2103.1163.4-39.5-59.6000118.5
86Q32.6Very low29.1Very low191 Ų191154.6 Ų154.689%0.89380%0.797SS**  -175.513690.7-96.3-174.5-0.200112.3
87Y25.4Very low29.2Very low180 Ų180158 Ų15871%0.70680%0.799SS**  trans-82.2140.9168.4-129.1-97000109.4
88N31.6Very low29.1Very low162 Ų162155.8 Ų155.887%0.86679%0.788SS**  trans-161.4124.7143.2-113.5-39.8000112.6
89S28.2Very low29Very low92 Ų92153.4 Ų153.464%0.64379%0.788SS**  trans-77.2135179.2-48.60000111.4
90R29.3Very low29.4Very low244 Ų244154.2 Ų154.292%0.92178%0.778SS**  trans-157.5120.7137.7-116.3167.9-170.2-175.22.1112.5
91C24.8Very low29.4Very low124 Ų124151.6 Ų151.684%0.83877%0.77SS**  trans-64.5143.916545.60000110.6
92N28.6Very low29.9Very low156 Ų156150.3 Ų150.383%0.83477%0.77SS**  trans-153128.9149.3-152.44.5000110
93N30.2Very low30.5Very low144 Ų144147.3 Ų147.377%0.7775%0.747SS**  trans-75.6136.2170.1-71.5-31.2000108.7
94N28.1Very low31.1Very low154 Ų154145.1 Ų145.182%0.82473%0.734SS**  trans-174.4133134.7-99.3-37.6000114.1
95S27.3Very low32Very low92 Ų92150 Ų15064%0.64375%0.746SS**  trans35.199.2146.31760000119.1
96F30.9Very low33.3Very low204 Ų204146.1 Ų146.190%0.89573%0.725SS**  trans-136.5113134.5-95.5-71.6000112.5N98F96-N98 PolarHBondContact O-N 2.98Å
97K29.3Very low34.5Very low196 Ų196140.2 Ų140.285%0.85270%0.702SS**  trans-67.4110.4171-61.3176.5-178.6179.70108.8
98N27.1Very low36.8Very low86 Ų86137.3 Ų137.346%0.4670%0.697SS.*  trans-142.8101.5178.7-168.516.4000111.1F96 R100F96-N98 PolarHBondContact O-N 2.98Å; N98-R100 PolarHBondContact O-N 2.91Å; N98-R100 PolarHBondContact OD1-NE 2.96Å; N98-R100 PolarHBondContact OD1-NH2 3.46Å; N98-R100 VanDerWaalsContact OD1-NH2 3.1Å
99P31.4Very low38.7Very low125 Ų125136.5 Ų136.581%0.81269%0.688SS**THydrogen-bonded Turntrans-74.622.8-172.732.4-37.4000114.4
100R35.5Very low40.8Very low194 Ų194132.2 Ų132.273%0.73266%0.658SS**THydrogen-bonded Turntrans-95.5-9.7-174.3-77.8-179.5-80.3-174-4.7114.7N98 I102N98-R100 PolarHBondContact O-N 2.91Å; N98-R100 PolarHBondContact OD1-NE 2.96Å; N98-R100 PolarHBondContact OD1-NH2 3.46Å; N98-R100 VanDerWaalsContact OD1-NH2 3.1Å; R100-I102 PolarHBondContact O-N 3.36Å
101N32.1Very low43.4Very low131 Ų131123.5 Ų123.570%0.70163%0.628SS**THydrogen-bonded Turntrans-93.628.5-173-154.710.3000115.3S104N101-S104 PolarHBondContact OD1-OG 2.94Å
102I41.3Very low46.2Very low148 Ų148119.8 Ų119.876%0.75961%0.606SS**THydrogen-bonded Turntrans-94.1-19169.1-63.8175.7000110.8R100R100-I102 PolarHBondContact O-N 3.36Å
103R43.1Very low48.9Very low82 Ų82115 Ų11531%0.30958%0.584SS.*G310 helixtrans-86.8-3-171.9-150.3178-168.4134.15.2114.9K105 Y106 V150 E155R103-K105 VanDerWaalsContact C-N 3.26Å; R103-K105 PolarHBondContact O-N 3.43Å; R103-Y106 HydrophobicContact CG-CD2 4.23Å; R103-Y106 HydrophobicContact CG-CE2 4.28Å; R103-Y106 WeakPolarHBondContact O-CD2 3.23Å; R103-V150 PolarHBondContact NH2-O 2.76Å; R103-E155 IonicContact CZ-OE2 3.72Å; R103-E155 IonicContact NH1-OE2 3.56Å; R103-E155 PolarHBondContact NH1-OE2 3.18Å; R103-E155 IonicContact NH2-OE2 3.51Å
104S39.2Very low51.8Low82 Ų82108.1 Ų108.157%0.57355%0.548SS*.G310 helixtrans-76.2-5.7-179.940.40000114.3N101 Y106N101-S104 PolarHBondContact OD1-OG 2.94Å; S104-Y106 VanDerWaalsContact C-N 3.27Å; S104-Y106 PolarHBondContact O-N 3.33Å
105K46.5Very low54.9Low194 Ų194101.3 Ų101.384%0.84351%0.512SS*.G310 helixtrans-81.614.3-178.5-110.6-176178.4-175.90115.5R103R103-K105 VanDerWaalsContact C-N 3.26Å; R103-K105 PolarHBondContact O-N 3.43Å
106Y56.2Low57.9Low88 Ų88105.5 Ų105.535%0.34551%0.514SS..SBendtrans-118.4128.4-174.5-60.3-55.1000111.9R103 S104 L148R103-Y106 HydrophobicContact CG-CD2 4.23Å; R103-Y106 HydrophobicContact CG-CE2 4.28Å; R103-Y106 WeakPolarHBondContact O-CD2 3.23Å; S104-Y106 VanDerWaalsContact C-N 3.27Å; S104-Y106 PolarHBondContact O-N 3.33Å; Y106-L148 HydrophobicContact CE1-CB 3.81Å; Y106-L148 PolarHBondContact OH-O 3.3Å
107T59.2Low60.8Low66 Ų6697.6 Ų97.641%0.40548%0.478SS..  trans-71.4152.7-179.659.50000111.8E109 S110 E111T107-E109 PolarHBondContact O-N 2.87Å; T107-E109 VanDerWaalsContact O-N 3.14Å; T107-S110 WeakPolarHBondContact O-CB 3.25Å; T107-S110 PolarHBondContact O-N 3.4Å; T107-S110 PolarHBondContact O-OG 3.06Å; T107-S110 PolarHBondContact OG1-N 2.84Å; T107-E111 PolarHBondContact O-N 3.12Å
108I72.6Confident63.9Low119 Ų11988.2 Ų88.261%0.6144%0.437SS*.Hα-helixtrans-53.9-33.8174.4-61.4170.9000111.1I73 E111 A112I73-I108 HydrophobicContact CG2-CD1 3.86Å; I73-I108 HydrophobicContact CG2-CG1 4.23Å; I108-E111 PolarHBondContact O-N 3.26Å; I108-A112 WeakPolarHBondContact O-CB 3.47Å; I108-A112 PolarHBondContact O-N 3.12Å
109E71.2Confident66.9Low146 Ų14687.7 Ų87.768%0.68243%0.432SS*.Hα-helixtrans-63.4-38.5176-56.5176.7139.600112.9T107 S113T107-E109 PolarHBondContact O-N 2.87Å; T107-E109 VanDerWaalsContact O-N 3.14Å; E109-S113 VanDerWaalsContact O-CB 3.28Å; E109-S113 WeakPolarHBondContact O-CB 3.3Å; E109-S113 PolarHBondContact O-N 3.02Å; E109-S113 PolarHBondContact O-OG 3.27Å
110S73.2Confident69.8Low1 Ų186.1 Ų86.11%0.00741%0.414CS..Hα-helixtrans-65.3-42177.676.60000111.7T107 S113 A114 H145 S149T107-S110 WeakPolarHBondContact O-CB 3.25Å; T107-S110 PolarHBondContact O-N 3.4Å; T107-S110 PolarHBondContact O-OG 3.06Å; T107-S110 PolarHBondContact OG1-N 2.84Å; S110-S113 WeakPolarHBondContact O-CB 3.32Å; S110-S113 PolarHBondContact O-N 2.85Å; S110-A114 PolarHBondContact O-N 2.67Å; S110-H145 VanDerWaalsContact CA-NE2 3.31Å; S110-H145 WeakPolarHBondContact CA-NE2 3.44Å; S110-H145 WeakPolarHBondContact CB-CE1 3.17Å; S110-H145 WeakPolarHBondContact CB-NE2 3.46Å; S110-S149 PolarHBondContact O-OG 3.16Å; S110-S149 PolarHBondContact OG-OG 3.29Å
111E84.6Confident72.3Confident61 Ų6177.9 Ų77.929%0.28538%0.384SS..Hα-helixtrans-72.8-42.4-179.9-173.4161.4-110.500111.1T107 I108 S113 A114 V115 S149 R162 H163T107-E111 PolarHBondContact O-N 3.12Å; I108-E111 PolarHBondContact O-N 3.26Å; E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 3.44Å; E111-A114 PolarHBondContact O-N 2.71Å; E111-V115 WeakPolarHBondContact O-CB 3.48Å; E111-V115 VanDerWaalsContact O-CG2 3.29Å; E111-V115 WeakPolarHBondContact O-CG2 3.45Å; E111-V115 PolarHBondContact O-N 3.04Å; E111-S149 WeakPolarHBondContact CA-OG 3.33Å; E111-S149 PolarHBondContact N-OG 2.89Å; E111-R162 IonicContact OE1-CZ 3.55Å; E111-R162 IonicContact OE1-NH1 3.46Å; E111-R162 PolarHBondContact OE1-NH1 2.96Å; E111-R162 IonicContact OE1-NH2 3.41Å; E111-R162 PolarHBondContact OE1-NH2 3.38Å; E111-H163 VanDerWaalsContact CG-CE1 3.47Å; E111-H163 WeakPolarHBondContact CG-CE1 3.39Å; E111-H163 IonicContact OE1-CE1 2.76Å; E111-H163 IonicContact OE1-NE2 2.76Å; E111-H163 IonicContact OE2-CE1 3.2Å
112A83.2Confident75.1Confident46 Ų4672.1 Ų72.138%0.3835%0.353SS..Hα-helixtrans-58.9-37.6170.800000112.2I108 R116I108-A112 WeakPolarHBondContact O-CB 3.47Å; I108-A112 PolarHBondContact O-N 3.12Å; A112-R116 WeakPolarHBondContact O-CG 3.45Å; A112-R116 PolarHBondContact O-N 3.43Å
113S85.5Confident77.3Confident55 Ų5570.8 Ų70.839%0.38535%0.347SS..Hα-helixtrans-68.9-42.9176.4-61.60000112.2E109 S110 E111 R116 Y117E109-S113 VanDerWaalsContact O-CB 3.28Å; E109-S113 WeakPolarHBondContact O-CB 3.3Å; E109-S113 PolarHBondContact O-N 3.02Å; E109-S113 PolarHBondContact O-OG 3.27Å; S110-S113 WeakPolarHBondContact O-CB 3.32Å; S110-S113 PolarHBondContact O-N 2.85Å; E111-S113 VanDerWaalsContact C-N 3.26Å; E111-S113 PolarHBondContact O-N 3.44Å; S113-R116 PolarHBondContact O-N 3.42Å; S113-Y117 PolarHBondContact O-N 2.93Å
114A90.5Very high79.3Confident0 Ų074 Ų740%036%0.359CS..Hα-helixtrans-62-44.2173.800000112.3S110 E111 Y117 F118 I146 V150 F159S110-A114 PolarHBondContact O-N 2.67Å; E111-A114 PolarHBondContact O-N 2.71Å; A114-Y117 PolarHBondContact O-N 2.78Å; A114-F118 VanDerWaalsContact O-CD2 3.3Å; A114-F118 WeakPolarHBondContact O-CD2 3.4Å; A114-F118 PolarHBondContact O-N 3.28Å; A114-I146 HydrophobicContact CB-CG2 3.98Å; A114-V150 HydrophobicContact CB-CG2 3.63Å; A114-F159 HydrophobicContact CB-CE2 3.96Å; A114-F159 HydrophobicContact CB-CZ 3.86Å
115V92.2Very high81.4Confident12 Ų1274 Ų747%0.07335%0.349CS..Hα-helixtrans-60.6-47.3176166.70000111.3E111 Y117 F118 Q119 F159 H163 I166E111-V115 WeakPolarHBondContact O-CB 3.48Å; E111-V115 VanDerWaalsContact O-CG2 3.29Å; E111-V115 WeakPolarHBondContact O-CG2 3.45Å; E111-V115 PolarHBondContact O-N 3.04Å; V115-Y117 VanDerWaalsContact C-N 3.35Å; V115-Y117 PolarHBondContact O-N 3.29Å; V115-F118 PolarHBondContact O-N 2.95Å; V115-Q119 WeakPolarHBondContact O-CB 3.3Å; V115-Q119 PolarHBondContact O-N 2.97Å; V115-F159 HydrophobicContact CG2-CZ 3.93Å; V115-H163 HydrophobicContact CG2-CB 4.32Å; V115-I166 HydrophobicContact CG1-CD1 3.46Å; V115-I166 VanDerWaalsContact CG1-CD1 3.46Å; V115-I166 HydrophobicContact CG1-CG2 4.39Å
116R90.7Very high82.8Confident179 Ų17971 Ų7168%0.67535%0.348SS*.Hα-helixtrans-59.3-44175.7-76.2-175.1-168.8-167.28.1112A112 S113 F118 Q119 E120A112-R116 WeakPolarHBondContact O-CG 3.45Å; A112-R116 PolarHBondContact O-N 3.43Å; S113-R116 PolarHBondContact O-N 3.42Å; R116-F118 PolarHBondContact O-N 2.85Å; R116-Q119 PolarHBondContact O-N 2.97Å; R116-E120 PolarHBondContact O-N 3.14Å
117Y92.5Very high84.1Confident38 Ų3872.6 Ų72.615%0.14936%0.359CS..Hα-helixtrans-55.8-49.2178.8178.4-93000111.8S113 A114 V115 E120 Q121 H138 A142 I146S113-Y117 PolarHBondContact O-N 2.93Å; A114-Y117 PolarHBondContact O-N 2.78Å; V115-Y117 VanDerWaalsContact C-N 3.35Å; V115-Y117 PolarHBondContact O-N 3.29Å; Y117-E120 PolarHBondContact O-N 3.29Å; Y117-Q121 HydrophobicContact CD1-CG 4.25Å; Y117-Q121 HydrophobicContact CE1-CG 3.87Å; Y117-Q121 WeakPolarHBondContact O-CG 3.23Å; Y117-Q121 PolarHBondContact O-N 3.44Å; Y117-H138 HydrophobicContact CE1-CB 4.28Å; Y117-H138 PolarHBondContact OH-O 2.83Å; Y117-H138 VanDerWaalsContact OH-O 3.05Å; Y117-A142 HydrophobicContact CD1-CB 4.26Å; Y117-A142 HydrophobicContact CE1-CB 3.8Å; Y117-A142 HydrophobicContact CE2-CB 4.2Å; Y117-I146 HydrophobicContact CD1-CG2 4.46Å; Y117-I146 HydrophobicContact CD2-CD1 3.96Å; Y117-I146 HydrophobicContact CG-CD1 3.98Å
118F93.4Very high85.2Confident0 Ų075.3 Ų75.30%036%0.362CS..Hα-helixtrans-72.2-31.5178.9-74.1-65.4000113.9A114 V115 R116 E120 Q121 L122 L135 H138 L139 I146 V150 F156 F159 F167A114-F118 VanDerWaalsContact O-CD2 3.3Å; A114-F118 WeakPolarHBondContact O-CD2 3.4Å; A114-F118 PolarHBondContact O-N 3.28Å; V115-F118 PolarHBondContact O-N 2.95Å; R116-F118 PolarHBondContact O-N 2.85Å; F118-E120 VanDerWaalsContact C-N 3.34Å; F118-Q121 PolarHBondContact O-N 3.01Å; F118-L122 WeakPolarHBondContact O-CG 3.38Å; F118-L122 PolarHBondContact O-N 3.29Å; F118-L122 VanDerWaalsContact O-N 3.07Å; F118-L135 HydrophobicContact CD1-CD1 3.85Å; F118-L135 HydrophobicContact CD1-CD2 4.12Å; F118-L135 HydrophobicContact CD1-CG 3.72Å; F118-L135 HydrophobicContact CE1-CG 4.23Å; F118-H138 HydrophobicContact CE1-CB 4.42Å; F118-L139 HydrophobicContact CE2-CD1 4Å; F118-L139 HydrophobicContact CZ-CB 3.92Å; F118-L139 HydrophobicContact CZ-CD1 3.76Å; F118-L139 HydrophobicContact CZ-CG 4.3Å; F118-I146 HydrophobicContact CE2-CG2 4.47Å; F118-V150 HydrophobicContact CE2-CG2 3.93Å; F118-F156 HydrophobicContact CD1-CE2 4.14Å; F118-F156 AromaticContact CD1-CZ 3.79Å; F118-F156 HydrophobicContact CD1-CZ 3.79Å; F118-F156 HydrophobicContact CD2-CE2 4.05Å; F118-F156 HydrophobicContact CD2-CZ 4.4Å; F118-F156 AromaticContact CE1-CE2 3.76Å; F118-F156 HydrophobicContact CE1-CE2 3.76Å; F118-F156 AromaticContact CE1-CZ 3.66Å; F118-F156 HydrophobicContact CE1-CZ 3.66Å; F118-F156 AromaticContact CE2-CE2 3.67Å; F118-F156 HydrophobicContact CE2-CE2 3.67Å; F118-F156 HydrophobicContact CE2-CZ 4.3Å; F118-F156 HydrophobicContact CG-CE2 4.28Å; F118-F156 HydrophobicContact CG-CZ 4.18Å; F118-F156 AromaticContact CZ-CE2 3.51Å; F118-F156 HydrophobicContact CZ-CE2 3.51Å; F118-F156 AromaticContact CZ-CZ 3.95Å; F118-F156 HydrophobicContact CZ-CZ 3.95Å; F118-F159 AromaticContact CD2-CE1 3.79Å; F118-F159 HydrophobicContact CD2-CE1 3.79Å; F118-F159 HydrophobicContact CD2-CZ 4.33Å; F118-F159 HydrophobicContact CE2-CE1 4.38Å; F118-F167 HydrophobicContact CB-CE1 4.08Å; F118-F167 HydrophobicContact CB-CZ 3.85Å
119Q91.7Very high86.1Confident75 Ų7572.3 Ų72.335%0.3534%0.343SS..Hα-helixtrans-60.4-43.6169.7-177.7177.8-19.100111.3V115 R116 L122 L123 L176V115-Q119 WeakPolarHBondContact O-CB 3.3Å; V115-Q119 PolarHBondContact O-N 2.97Å; R116-Q119 PolarHBondContact O-N 2.97Å; Q119-L122 PolarHBondContact O-N 3.35Å; Q119-L123 HydrophobicContact CG-CD1 4.13Å; Q119-L123 VanDerWaalsContact O-CG 3.31Å; Q119-L123 WeakPolarHBondContact O-CG 3.49Å; Q119-L123 PolarHBondContact O-N 3.2Å; Q119-L176 HydrophobicContact CB-CD2 4.36Å; Q119-L176 HydrophobicContact CG-CD1 4Å; Q119-L176 HydrophobicContact CG-CD2 4.02Å
120E90.4Very high87Confident91 Ų9165.5 Ų65.543%0.42531%0.312SS..Hα-helixtrans-65.8-39.8174.2-70.8-172.4-15400113.3R116 Y117 F118 L122 L123 R124R116-E120 PolarHBondContact O-N 3.14Å; Y117-E120 PolarHBondContact O-N 3.29Å; F118-E120 VanDerWaalsContact C-N 3.34Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 3.34Å; E120-L123 PolarHBondContact O-N 3.22Å; E120-R124 WeakPolarHBondContact O-CG 3.46Å; E120-R124 PolarHBondContact O-N 3.41Å; E120-R124 IonicContact OE2-CZ 3.34Å; E120-R124 IonicContact OE2-NH1 3.96Å; E120-R124 PolarHBondContact OE2-NH1 3.14Å; E120-R124 IonicContact OE2-NH2 2.61Å; E120-R124 PolarHBondContact OE2-NH2 3.15Å
121Q90Very high87.9Confident21 Ų2166.6 Ų66.610%0.09832%0.319CS..Hα-helixtrans-63.5-34.7178.2-63.9-47-35.900112.2Y117 F118 L135 H138Y117-Q121 HydrophobicContact CD1-CG 4.25Å; Y117-Q121 HydrophobicContact CE1-CG 3.87Å; Y117-Q121 WeakPolarHBondContact O-CG 3.23Å; Y117-Q121 PolarHBondContact O-N 3.44Å; F118-Q121 PolarHBondContact O-N 3.01Å; Q121-L135 HydrophobicContact CB-CD1 3.81Å; Q121-H138 HydrophobicContact CG-CB 4.14Å; Q121-H138 PolarHBondContact OE1-ND1 2.66Å
122L90.4Very high88.2Confident11 Ų1164.8 Ų64.86%0.05831%0.31CS..Hα-helixtrans-70.2-44.8172.2-70.6174.1000111.8F118 Q119 E120 R124 K125 V130 L135 F167 V174 L176F118-L122 WeakPolarHBondContact O-CG 3.38Å; F118-L122 PolarHBondContact O-N 3.29Å; F118-L122 VanDerWaalsContact O-N 3.07Å; Q119-L122 PolarHBondContact O-N 3.35Å; E120-L122 VanDerWaalsContact C-N 3.27Å; E120-L122 PolarHBondContact O-N 3.34Å; L122-R124 PolarHBondContact O-N 3.45Å; L122-K125 PolarHBondContact O-N 3.15Å; L122-V130 HydrophobicContact CD2-CB 3.78Å; L122-V130 HydrophobicContact CD2-CG2 3.63Å; L122-L135 HydrophobicContact CD1-CD2 4.24Å; L122-L135 HydrophobicContact CD2-CD1 3.96Å; L122-L135 HydrophobicContact CD2-CD2 4.11Å; L122-L135 HydrophobicContact CG-CD1 4.01Å; L122-L135 HydrophobicContact CG-CD2 4.15Å; L122-F167 HydrophobicContact CD1-CD1 3.82Å; L122-F167 HydrophobicContact CD1-CE1 3.92Å; L122-V174 HydrophobicContact CD1-CG2 4.41Å; L122-L176 HydrophobicContact CB-CD1 4.07Å; L122-L176 HydrophobicContact CB-CG 4.01Å; L122-L176 HydrophobicContact CD1-CD2 3.78Å; L122-L176 HydrophobicContact CD1-CG 3.85Å
123L88.1Confident88.3Confident119 Ų11970.7 Ų70.762%0.62332%0.323SS*.Hα-helixtrans-63.3-21.6176.8-71.2170.5000113.8Q119 E120 K125 L176Q119-L123 HydrophobicContact CG-CD1 4.13Å; Q119-L123 VanDerWaalsContact O-CG 3.31Å; Q119-L123 WeakPolarHBondContact O-CG 3.49Å; Q119-L123 PolarHBondContact O-N 3.2Å; E120-L123 PolarHBondContact O-N 3.22Å; L123-K125 VanDerWaalsContact C-N 3.32Å; L123-L176 HydrophobicContact CD2-CD1 3.83Å; L123-L176 HydrophobicContact CG-CD1 3.77Å
124R85Confident88.4Confident151 Ų15171.2 Ų71.257%0.5732%0.321SS*.THydrogen-bonded Turntrans-79.5-5.7173.2-75.3-179.7179.6103.111114.1E120 L122E120-R124 WeakPolarHBondContact O-CG 3.46Å; E120-R124 PolarHBondContact O-N 3.41Å; E120-R124 IonicContact OE2-CZ 3.34Å; E120-R124 IonicContact OE2-NH1 3.96Å; E120-R124 PolarHBondContact OE2-NH1 3.14Å; E120-R124 IonicContact OE2-NH2 2.61Å; E120-R124 PolarHBondContact OE2-NH2 3.15Å; L122-R124 PolarHBondContact O-N 3.45Å
125K82.5Confident88.4Confident82 Ų8271.2 Ų71.236%0.35732%0.322SS..SBendtrans-100.5143.7175-55.2-60-179178.60110.5L122 L123 E127 V130L122-K125 PolarHBondContact O-N 3.15Å; L123-K125 VanDerWaalsContact C-N 3.32Å; K125-E127 PolarHBondContact O-N 3.03Å; K125-V130 HydrophobicContact CB-CG2 4.06Å; K125-V130 HydrophobicContact CG-CG2 3.85Å
126P76.4Confident88.2Confident129 Ų12970.9 Ų70.984%0.83832%0.32SS*.SBendtrans-75.6-10.4173.232.4-35.3000113
127E81.9Confident87.8Confident122 Ų12262.6 Ų62.657%0.5729%0.291SS*.  trans-94.5128.7-176.6-67.1159.9177.700110.3K125 W129K125-E127 PolarHBondContact O-N 3.03Å; E127-W129 PolarHBondContact O-N 3.47Å
128R83.9Confident87.5Confident124 Ų12462.2 Ų62.247%0.46829%0.29SS..SBendtrans-59.8-29172.8176176.3173.2-145.4-7112.3E168 G175R128-E168 IonicContact CZ-OE2 3.84Å; R128-E168 VanDerWaalsContact NH2-CD 3.28Å; R128-E168 IonicContact NH2-OE1 3.14Å; R128-E168 PolarHBondContact NH2-OE1 2.98Å; R128-E168 VanDerWaalsContact NH2-OE1 3.14Å; R128-E168 IonicContact NH2-OE2 2.69Å; R128-E168 PolarHBondContact NH2-OE2 3.13Å; R128-G175 WeakPolarHBondContact O-CA 3.2Å
129W90.3Very high86.9Confident55 Ų5562.2 Ų62.221%0.20829%0.29CS..  trans-121.9114.9-171.4-69.1115.8000110.5E127 E168 Q170 L173E127-W129 PolarHBondContact O-N 3.47Å; W129-E168 HydrophobicContact CH2-CB 3.97Å; W129-E168 VanDerWaalsContact CH2-CD 3.48Å; W129-E168 HydrophobicContact CH2-CG 3.75Å; W129-E168 WeakPolarHBondContact CH2-OE1 3.33Å; W129-E168 HydrophobicContact CZ3-CB 4.41Å; W129-E168 WeakPolarHBondContact CZ3-O 3.25Å; W129-Q170 HydrophobicContact CH2-CB 4.14Å; W129-Q170 HydrophobicContact CH2-CG 3.46Å; W129-Q170 VanDerWaalsContact CH2-CG 3.46Å; W129-Q170 HydrophobicContact CZ2-CG 3.99Å; W129-Q170 HydrophobicContact CZ3-CB 4.06Å; W129-Q170 HydrophobicContact CZ3-CG 3.88Å; W129-L173 HydrophobicContact CB-CB 4.35Å; W129-L173 HydrophobicContact CB-CD1 4.18Å; W129-L173 HydrophobicContact CE3-CB 3.93Å
130V90.4Very high86Confident4 Ų458.9 Ų58.92%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-112.9134.6179.9-179.30000108.4L122 K125 I132 N134 L135 V174L122-V130 HydrophobicContact CD2-CB 3.78Å; L122-V130 HydrophobicContact CD2-CG2 3.63Å; K125-V130 HydrophobicContact CB-CG2 4.06Å; K125-V130 HydrophobicContact CG-CG2 3.85Å; V130-I132 PolarHBondContact O-N 2.95Å; V130-N134 HydrophobicContact CG1-CB 4.16Å; V130-L135 HydrophobicContact CG1-CB 4.42Å; V130-V174 PolarHBondContact N-O 2.88Å; V130-V174 WeakPolarHBondContact O-CG1 3.49Å; V130-V174 PolarHBondContact O-N 3.43Å
131P91.8Very high85.3Confident24 Ų2458 Ų5816%0.15627%0.271CS..EExtended strand (participates in β ladder)trans-58.4132.9174.2-2534.2000111.6R133 N134 L135 D172 L173P131-R133 HydrophobicContact CB-CG 4.12Å; P131-R133 PolarHBondContact O-N 3.43Å; P131-N134 HydrophobicContact CB-CB 4.31Å; P131-N134 WeakPolarHBondContact O-CA 3.26Å; P131-N134 WeakPolarHBondContact O-CB 3.43Å; P131-N134 PolarHBondContact O-N 3.46Å; P131-L135 PolarHBondContact O-N 3.37Å; P131-L135 VanDerWaalsContact O-N 3.07Å; P131-D172 CarbonylContact C-O 3.54Å; P131-D172 WeakPolarHBondContact CA-O 3.37Å; P131-L173 HydrophobicContact CB-CD2 4.39Å; P131-L173 HydrophobicContact CG-CD2 4.03Å
132I91.7Very high84.8Confident22 Ų2257.2 Ų57.211%0.11327%0.268CS..Hα-helixtrans-56.1-39.9-176.7-66.8168.5000110.6V130 N134 L135 A136 F156 L157 L160 I169 G171 D172 V174V130-I132 PolarHBondContact O-N 2.95Å; I132-N134 VanDerWaalsContact C-N 3.29Å; I132-N134 PolarHBondContact O-N 3.13Å; I132-L135 PolarHBondContact O-N 2.93Å; I132-A136 WeakPolarHBondContact O-CB 3.49Å; I132-A136 PolarHBondContact O-N 3.49Å; I132-F156 HydrophobicContact CG2-CD1 3.89Å; I132-F156 HydrophobicContact CG2-CE1 4.3Å; I132-L157 HydrophobicContact CD1-CD1 3.99Å; I132-L160 HydrophobicContact CG1-CD1 4.3Å; I132-L160 HydrophobicContact CG2-CD1 4.04Å; I132-I169 HydrophobicContact CD1-CG2 4.07Å; I132-G171 WeakPolarHBondContact CD1-O 3.39Å; I132-D172 WeakPolarHBondContact CG1-O 3.42Å; I132-D172 PolarHBondContact N-O 2.96Å; I132-V174 HydrophobicContact CG1-CB 3.87Å; I132-V174 HydrophobicContact CG1-CG1 3.75Å
133R85.7Confident84.2Confident170 Ų17059.4 Ų59.464%0.64228%0.284SS*.Hα-helixtrans-59.3-34.2173.767.8-170.7179.5-133.72.1114P131 G137P131-R133 HydrophobicContact CB-CG 4.12Å; P131-R133 PolarHBondContact O-N 3.43Å; R133-G137 PolarHBondContact O-N 2.96Å
134N87.1Confident83.3Confident66 Ų6657.6 Ų57.635%0.35328%0.279SS..Hα-helixtrans-74.8-42.7177.3-62.113.5000110.3V130 P131 I132 G137 H138V130-N134 HydrophobicContact CG1-CB 4.16Å; P131-N134 HydrophobicContact CB-CB 4.31Å; P131-N134 WeakPolarHBondContact O-CA 3.26Å; P131-N134 WeakPolarHBondContact O-CB 3.43Å; P131-N134 PolarHBondContact O-N 3.46Å; I132-N134 VanDerWaalsContact C-N 3.29Å; I132-N134 PolarHBondContact O-N 3.13Å; N134-G137 PolarHBondContact O-N 3.47Å; N134-H138 PolarHBondContact O-CD2 2.98Å
135L90.5Very high82.8Confident1 Ų154.9 Ų54.91%0.00527%0.273CS..Hα-helixtrans-65.2-43.2176.4-170.468.4000111.1F118 Q121 L122 V130 P131 I132 G137 H138 F156 L160 V174F118-L135 HydrophobicContact CD1-CD1 3.85Å; F118-L135 HydrophobicContact CD1-CD2 4.12Å; F118-L135 HydrophobicContact CD1-CG 3.72Å; F118-L135 HydrophobicContact CE1-CG 4.23Å; Q121-L135 HydrophobicContact CB-CD1 3.81Å; L122-L135 HydrophobicContact CD1-CD2 4.24Å; L122-L135 HydrophobicContact CD2-CD1 3.96Å; L122-L135 HydrophobicContact CD2-CD2 4.11Å; L122-L135 HydrophobicContact CG-CD1 4.01Å; L122-L135 HydrophobicContact CG-CD2 4.15Å; V130-L135 HydrophobicContact CG1-CB 4.42Å; P131-L135 PolarHBondContact O-N 3.37Å; P131-L135 VanDerWaalsContact O-N 3.07Å; I132-L135 PolarHBondContact O-N 2.93Å; L135-G137 PolarHBondContact O-N 3.21Å; L135-H138 WeakPolarHBondContact O-CB 3.38Å; L135-H138 PolarHBondContact O-N 3.25Å; L135-H138 VanDerWaalsContact O-N 3.08Å; L135-F156 HydrophobicContact CB-CE1 4.11Å; L135-F156 HydrophobicContact CB-CZ 4.45Å; L135-F156 HydrophobicContact CD2-CE1 4.03Å; L135-F156 HydrophobicContact CD2-CZ 3.89Å; L135-F156 HydrophobicContact CG-CE1 4.06Å; L135-F156 HydrophobicContact CG-CZ 3.93Å; L135-L160 HydrophobicContact CD2-CD2 4.29Å; L135-V174 HydrophobicContact CB-CG1 4.29Å; L135-V174 HydrophobicContact CD2-CG1 3.65Å
136A87Confident82.9Confident4 Ų451.8 Ų51.83%0.03326%0.26CS..Hα-helixtrans-58.3-33.8175.800000112.6I132 H138 L139 Q153 F156I132-A136 WeakPolarHBondContact O-CB 3.49Å; I132-A136 PolarHBondContact O-N 3.49Å; A136-H138 PolarHBondContact O-N 3.4Å; A136-L139 WeakPolarHBondContact O-CB 3.19Å; A136-L139 PolarHBondContact O-N 2.64Å; A136-Q153 HydrophobicContact CB-CG 3.8Å; A136-F156 HydrophobicContact CB-CB 4.28Å; A136-F156 HydrophobicContact CB-CD1 3.44Å; A136-F156 VanDerWaalsContact CB-CD1 3.44Å; A136-F156 HydrophobicContact CB-CE1 3.9Å; A136-F156 HydrophobicContact CB-CG 3.9Å
137G83.3Confident83.3Confident6 Ų648 Ų486%0.06223%0.229CC..Hα-helixtrans-58.6-32.6175.600000113.5R133 N134 L135 L139 S140R133-G137 PolarHBondContact O-N 2.96Å; N134-G137 PolarHBondContact O-N 3.47Å; L135-G137 PolarHBondContact O-N 3.21Å; G137-L139 PolarHBondContact O-N 3.18Å; G137-S140 PolarHBondContact O-N 3.1Å; G137-S140 PolarHBondContact O-OG 3.43Å
138H85.6Confident83Confident30 Ų3045.6 Ų45.614%0.13922%0.22CC..G310 helixtrans-66.1-21.2175.2-72.5-88.3000113.1Y117 F118 Q121 N134 L135 A136 S140 Q141 A142Y117-H138 HydrophobicContact CE1-CB 4.28Å; Y117-H138 PolarHBondContact OH-O 2.83Å; Y117-H138 VanDerWaalsContact OH-O 3.05Å; F118-H138 HydrophobicContact CE1-CB 4.42Å; Q121-H138 HydrophobicContact CG-CB 4.14Å; Q121-H138 PolarHBondContact OE1-ND1 2.66Å; N134-H138 PolarHBondContact O-CD2 2.98Å; L135-H138 WeakPolarHBondContact O-CB 3.38Å; L135-H138 PolarHBondContact O-N 3.25Å; L135-H138 VanDerWaalsContact O-N 3.08Å; A136-H138 PolarHBondContact O-N 3.4Å; H138-S140 PolarHBondContact O-N 3.34Å; H138-Q141 WeakPolarHBondContact O-CA 3.38Å; H138-Q141 WeakPolarHBondContact O-CB 3.26Å; H138-Q141 PolarHBondContact O-N 3.03Å; H138-A142 PolarHBondContact O-N 3.37Å
139L81.9Confident82.9Confident0 Ų039.8 Ų39.80%020%0.198CC..G310 helixtrans-61.2-31.2179.5-170.652.3000112.4F118 A136 G137 Q141 A142 I146 R147 V150 F156 H362F118-L139 HydrophobicContact CE2-CD1 4Å; F118-L139 HydrophobicContact CZ-CB 3.92Å; F118-L139 HydrophobicContact CZ-CD1 3.76Å; F118-L139 HydrophobicContact CZ-CG 4.3Å; A136-L139 WeakPolarHBondContact O-CB 3.19Å; A136-L139 PolarHBondContact O-N 2.64Å; G137-L139 PolarHBondContact O-N 3.18Å; L139-Q141 VanDerWaalsContact C-N 3.26Å; L139-Q141 PolarHBondContact O-N 3.21Å; L139-A142 HydrophobicContact CD1-CB 4.27Å; L139-A142 WeakPolarHBondContact O-CB 3.3Å; L139-A142 PolarHBondContact O-N 3.43Å; L139-I146 HydrophobicContact CD1-CG2 4.12Å; L139-R147 HydrophobicContact CD1-CG 4.27Å; L139-R147 WeakPolarHBondContact O-CD 3.45Å; L139-R147 VanDerWaalsContact O-CG 3.25Å; L139-R147 WeakPolarHBondContact O-CG 3.35Å; L139-V150 HydrophobicContact CD1-CB 3.83Å; L139-V150 HydrophobicContact CD1-CG1 3.97Å; L139-V150 HydrophobicContact CD1-CG2 3.91Å; L139-V150 HydrophobicContact CD2-CB 4.02Å; L139-V150 HydrophobicContact CD2-CG1 3.41Å; L139-V150 VanDerWaalsContact CD2-CG1 3.41Å; L139-V150 HydrophobicContact CG-CG1 4.37Å; L139-F156 HydrophobicContact CD2-CD2 4.07Å; L139-H362 WeakPolarHBondContact CD2-CE1 3.22Å; L139-H362 WeakPolarHBondContact CD2-NE2 3.2Å; L139-H362 WeakPolarHBondContact CG-NE2 3.38Å
140S72.8Confident82.8Confident5 Ų537.2 Ų37.24%0.03519%0.188CC..G310 helixtrans-59.6-33.2171.765.40000113.9G137 H138 T656G137-S140 PolarHBondContact O-N 3.1Å; G137-S140 PolarHBondContact O-OG 3.43Å; H138-S140 PolarHBondContact O-N 3.34Å; S140-T656 WeakPolarHBondContact CB-OG1 3.35Å; S140-T656 WeakPolarHBondContact OG-CB 3.38Å; S140-T656 PolarHBondContact OG-OG1 3.23Å
141Q74.5Confident82.3Confident73 Ų7337.3 Ų37.334%0.34119%0.191SC..G310 helixtrans-89.4-7.4-179.3-57.6175.613.100112.4H138 L139H138-Q141 WeakPolarHBondContact O-CA 3.38Å; H138-Q141 WeakPolarHBondContact O-CB 3.26Å; H138-Q141 PolarHBondContact O-N 3.03Å; L139-Q141 VanDerWaalsContact C-N 3.26Å; L139-Q141 PolarHBondContact O-N 3.21Å
142A80Confident81.5Confident3 Ų337.5 Ų37.53%0.02519%0.192CC..SBendtrans-75156.8176.700000111.2Y117 H138 L139 I146 R147Y117-A142 HydrophobicContact CD1-CB 4.26Å; Y117-A142 HydrophobicContact CE1-CB 3.8Å; Y117-A142 HydrophobicContact CE2-CB 4.2Å; H138-A142 PolarHBondContact O-N 3.37Å; L139-A142 HydrophobicContact CD1-CB 4.27Å; L139-A142 WeakPolarHBondContact O-CB 3.3Å; L139-A142 PolarHBondContact O-N 3.43Å; A142-I146 HydrophobicContact CB-CB 3.86Å; A142-I146 HydrophobicContact CB-CD1 4.31Å; A142-I146 HydrophobicContact CB-CG2 3.63Å; A142-R147 HydrophobicContact CB-CG 4.28Å; A142-R147 PolarHBondContact O-NH1 2.9Å
143S77.5Confident80.8Confident58 Ų5837.8 Ų37.841%0.40619%0.193SC..  trans-61.7153176.967.20000111.3H145 I146 R147S143-H145 PolarHBondContact O-N 3.32Å; S143-H145 VanDerWaalsContact O-N 3.09Å; S143-I146 PolarHBondContact O-N 3.3Å; S143-R147 WeakPolarHBondContact O-CG 3.41Å; S143-R147 PolarHBondContact O-N 3.28Å
144P70.4Confident80.3Confident81 Ų8134 Ų3453%0.52619%0.192SC..Hα-helixtrans-52-37.5-178.8-28.335.5000113.4I146 R147 L148P144-I146 PolarHBondContact O-N 2.94Å; P144-R147 PolarHBondContact O-N 3.02Å; P144-L148 WeakPolarHBondContact O-CB 3.27Å; P144-L148 VanDerWaalsContact O-CG 3.28Å; P144-L148 WeakPolarHBondContact O-CG 3.25Å; P144-L148 PolarHBondContact O-N 3.45Å
145H74.7Confident80.1Confident94 Ų9434 Ų3444%0.43519%0.19SC..Hα-helixtrans-60.4-42.6175.9-173.573.8000113.4S110 S143 S149S110-H145 VanDerWaalsContact CA-NE2 3.31Å; S110-H145 WeakPolarHBondContact CA-NE2 3.44Å; S110-H145 WeakPolarHBondContact CB-CE1 3.17Å; S110-H145 WeakPolarHBondContact CB-NE2 3.46Å; S143-H145 PolarHBondContact O-N 3.32Å; S143-H145 VanDerWaalsContact O-N 3.09Å; H145-S149 WeakPolarHBondContact O-CB 3.42Å; H145-S149 PolarHBondContact O-N 3.15Å
146I84.2Confident80.1Confident16 Ų1634 Ų348%0.08219%0.19CC..Hα-helixtrans-67.6-41.7173.8-65.5165.4000110.1A114 Y117 F118 L139 A142 S143 P144 L148 S149 V150A114-I146 HydrophobicContact CB-CG2 3.98Å; Y117-I146 HydrophobicContact CD1-CG2 4.46Å; Y117-I146 HydrophobicContact CD2-CD1 3.96Å; Y117-I146 HydrophobicContact CG-CD1 3.98Å; F118-I146 HydrophobicContact CE2-CG2 4.47Å; L139-I146 HydrophobicContact CD1-CG2 4.12Å; A142-I146 HydrophobicContact CB-CB 3.86Å; A142-I146 HydrophobicContact CB-CD1 4.31Å; A142-I146 HydrophobicContact CB-CG2 3.63Å; S143-I146 PolarHBondContact O-N 3.3Å; P144-I146 PolarHBondContact O-N 2.94Å; I146-L148 VanDerWaalsContact C-N 3.31Å; I146-L148 PolarHBondContact O-N 3.1Å; I146-S149 PolarHBondContact O-N 2.96Å; I146-V150 HydrophobicContact CG2-CG2 4.03Å; I146-V150 WeakPolarHBondContact O-CB 3.3Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 2.56Å
147R84Confident80.3Confident51 Ų5137.8 Ų37.819%0.19221%0.209CC..Hα-helixtrans-61.2-38.9178.1-58.2-158.1-54.5-102.910.2112.5L139 A142 S143 P144 G151 F361L139-R147 HydrophobicContact CD1-CG 4.27Å; L139-R147 WeakPolarHBondContact O-CD 3.45Å; L139-R147 VanDerWaalsContact O-CG 3.25Å; L139-R147 WeakPolarHBondContact O-CG 3.35Å; A142-R147 HydrophobicContact CB-CG 4.28Å; A142-R147 PolarHBondContact O-NH1 2.9Å; S143-R147 WeakPolarHBondContact O-CG 3.41Å; S143-R147 PolarHBondContact O-N 3.28Å; P144-R147 PolarHBondContact O-N 3.02Å; R147-G151 PolarHBondContact O-N 3.2Å; R147-F361 PolarHBondContact NE-O 2.72Å
148L76.3Confident80.6Confident70 Ų7041.3 Ų41.337%0.36623%0.227SC..Hα-helixtrans-68-47.3175.6-72.5165.6000112.5Y106 P144 I146 V150 F361Y106-L148 HydrophobicContact CE1-CB 3.81Å; Y106-L148 PolarHBondContact OH-O 3.3Å; P144-L148 WeakPolarHBondContact O-CB 3.27Å; P144-L148 VanDerWaalsContact O-CG 3.28Å; P144-L148 WeakPolarHBondContact O-CG 3.25Å; P144-L148 PolarHBondContact O-N 3.45Å; I146-L148 VanDerWaalsContact C-N 3.31Å; I146-L148 PolarHBondContact O-N 3.1Å; L148-V150 VanDerWaalsContact C-N 3.34Å; L148-V150 PolarHBondContact O-N 3.4Å; L148-F361 HydrophobicContact CD2-CD1 3.84Å; L148-F361 HydrophobicContact CD2-CE1 3.8Å
149S82.1Confident80.8Confident3 Ų339.9 Ų39.92%0.02122%0.22CC..Hα-helixtrans-60.7-41.7178.7-175.40000112.4S110 E111 H145 I146S110-S149 PolarHBondContact O-OG 3.16Å; S110-S149 PolarHBondContact OG-OG 3.29Å; E111-S149 WeakPolarHBondContact CA-OG 3.33Å; E111-S149 PolarHBondContact N-OG 2.89Å; H145-S149 WeakPolarHBondContact O-CB 3.42Å; H145-S149 PolarHBondContact O-N 3.15Å; I146-S149 PolarHBondContact O-N 2.96Å
150V86.8Confident81.4Confident0 Ų039.9 Ų39.90%022%0.22CC..Hα-helixtrans-79.4-37.6-177.8179.50000112.3R103 A114 F118 L139 I146 L148 F156 F159R103-V150 PolarHBondContact NH2-O 2.76Å; A114-V150 HydrophobicContact CB-CG2 3.63Å; F118-V150 HydrophobicContact CE2-CG2 3.93Å; L139-V150 HydrophobicContact CD1-CB 3.83Å; L139-V150 HydrophobicContact CD1-CG1 3.97Å; L139-V150 HydrophobicContact CD1-CG2 3.91Å; L139-V150 HydrophobicContact CD2-CB 4.02Å; L139-V150 HydrophobicContact CD2-CG1 3.41Å; L139-V150 VanDerWaalsContact CD2-CG1 3.41Å; L139-V150 HydrophobicContact CG-CG1 4.37Å; I146-V150 HydrophobicContact CG2-CG2 4.03Å; I146-V150 WeakPolarHBondContact O-CB 3.3Å; I146-V150 WeakPolarHBondContact O-CG2 3.44Å; I146-V150 PolarHBondContact O-N 2.56Å; L148-V150 VanDerWaalsContact C-N 3.34Å; L148-V150 PolarHBondContact O-N 3.4Å; V150-F156 HydrophobicContact CG1-CD2 3.71Å; V150-F156 HydrophobicContact CG1-CE2 4.14Å; V150-F159 HydrophobicContact CB-CD2 4.11Å; V150-F159 HydrophobicContact CB-CE2 4.44Å; V150-F159 HydrophobicContact CB-CG 4.37Å; V150-F159 HydrophobicContact CG1-CB 3.92Å; V150-F159 HydrophobicContact CG1-CD1 4.12Å; V150-F159 HydrophobicContact CG1-CD2 3.96Å; V150-F159 HydrophobicContact CG1-CG 3.72Å; V150-F159 HydrophobicContact CG2-CD2 3.89Å; V150-F159 HydrophobicContact CG2-CE1 4.38Å; V150-F159 HydrophobicContact CG2-CE2 3.73Å; V150-F159 HydrophobicContact CG2-CG 4.31Å; V150-F159 HydrophobicContact CG2-CZ 4Å
151G80Confident82.3Confident7 Ų742.8 Ų42.87%0.07224%0.238CC..  trans92.9-167-177.600000114.6R147 H362R147-G151 PolarHBondContact O-N 3.2Å; G151-H362 VanDerWaalsContact C-NE2 3.29Å; G151-H362 PolarHBondContact O-NE2 3.24Å
152P76.4Confident83Confident28 Ų2844.5 Ų44.518%0.18224%0.241CC..  trans-67.8155.1-179.229.9-35.4000111.6S154 E155P152-S154 PolarHBondContact O-N 2.99Å; P152-S154 VanDerWaalsContact O-N 3.08Å; P152-E155 HydrophobicContact CG-CB 4.24Å; P152-E155 HydrophobicContact CG-CG 3.93Å; P152-E155 WeakPolarHBondContact CG-OE1 3.12Å; P152-E155 PolarHBondContact O-N 2.92Å
153Q75.3Confident83.4Confident27 Ų2745.7 Ų45.713%0.12625%0.246CC..G310 helixtrans-60.9-25.9-175.2-156.7178.1-19.200113A136 E155 F156 H362A136-Q153 HydrophobicContact CB-CG 3.8Å; Q153-E155 VanDerWaalsContact C-N 3.28Å; Q153-E155 PolarHBondContact O-N 3.23Å; Q153-F156 WeakPolarHBondContact O-CB 3.2Å; Q153-F156 PolarHBondContact O-N 3.46Å; Q153-H362 WeakPolarHBondContact CA-CE1 3.39Å; Q153-H362 WeakPolarHBondContact CB-CE1 3.46Å; Q153-H362 WeakPolarHBondContact CG-CE1 3.38Å; Q153-H362 PolarHBondContact N-CE1 3.12Å
154S76.7Confident84Confident91 Ų9145.9 Ų45.964%0.63625%0.248SC*.G310 helixtrans-62.4-29.1173.6520000114.4P152P152-S154 PolarHBondContact O-N 2.99Å; P152-S154 VanDerWaalsContact O-N 3.08Å
155E82.8Confident84.7Confident65 Ų6548.1 Ų48.130%0.30426%0.255SS..G310 helixtrans-97.27.5179.5-68.5178.6-143.600112.5R103 P152 Q153 L157 D158 F159R103-E155 IonicContact CZ-OE2 3.72Å; R103-E155 IonicContact NH1-OE2 3.56Å; R103-E155 PolarHBondContact NH1-OE2 3.18Å; R103-E155 IonicContact NH2-OE2 3.51Å; P152-E155 HydrophobicContact CG-CB 4.24Å; P152-E155 HydrophobicContact CG-CG 3.93Å; P152-E155 WeakPolarHBondContact CG-OE1 3.12Å; P152-E155 PolarHBondContact O-N 2.92Å; Q153-E155 VanDerWaalsContact C-N 3.28Å; Q153-E155 PolarHBondContact O-N 3.23Å; E155-L157 PolarHBondContact O-N 3.3Å; E155-D158 WeakPolarHBondContact O-CA 3.29Å; E155-D158 WeakPolarHBondContact O-CB 3.47Å; E155-D158 PolarHBondContact O-N 3.49Å; E155-F159 PolarHBondContact O-N 2.77Å
156F89.8Confident85.4Confident2 Ų246.4 Ų46.41%0.00925%0.248CC..Hα-helixtrans-62.6-29.1-176.7-173-111.9000112.9F118 I132 L135 A136 L139 V150 Q153 D158 F159 L160F118-F156 HydrophobicContact CD1-CE2 4.14Å; F118-F156 AromaticContact CD1-CZ 3.79Å; F118-F156 HydrophobicContact CD1-CZ 3.79Å; F118-F156 HydrophobicContact CD2-CE2 4.05Å; F118-F156 HydrophobicContact CD2-CZ 4.4Å; F118-F156 AromaticContact CE1-CE2 3.76Å; F118-F156 HydrophobicContact CE1-CE2 3.76Å; F118-F156 AromaticContact CE1-CZ 3.66Å; F118-F156 HydrophobicContact CE1-CZ 3.66Å; F118-F156 AromaticContact CE2-CE2 3.67Å; F118-F156 HydrophobicContact CE2-CE2 3.67Å; F118-F156 HydrophobicContact CE2-CZ 4.3Å; F118-F156 HydrophobicContact CG-CE2 4.28Å; F118-F156 HydrophobicContact CG-CZ 4.18Å; F118-F156 AromaticContact CZ-CE2 3.51Å; F118-F156 HydrophobicContact CZ-CE2 3.51Å; F118-F156 AromaticContact CZ-CZ 3.95Å; F118-F156 HydrophobicContact CZ-CZ 3.95Å; I132-F156 HydrophobicContact CG2-CD1 3.89Å; I132-F156 HydrophobicContact CG2-CE1 4.3Å; L135-F156 HydrophobicContact CB-CE1 4.11Å; L135-F156 HydrophobicContact CB-CZ 4.45Å; L135-F156 HydrophobicContact CD2-CE1 4.03Å; L135-F156 HydrophobicContact CD2-CZ 3.89Å; L135-F156 HydrophobicContact CG-CE1 4.06Å; L135-F156 HydrophobicContact CG-CZ 3.93Å; A136-F156 HydrophobicContact CB-CB 4.28Å; A136-F156 HydrophobicContact CB-CD1 3.44Å; A136-F156 VanDerWaalsContact CB-CD1 3.44Å; A136-F156 HydrophobicContact CB-CE1 3.9Å; A136-F156 HydrophobicContact CB-CG 3.9Å; L139-F156 HydrophobicContact CD2-CD2 4.07Å; V150-F156 HydrophobicContact CG1-CD2 3.71Å; V150-F156 HydrophobicContact CG1-CE2 4.14Å; Q153-F156 WeakPolarHBondContact O-CB 3.2Å; Q153-F156 PolarHBondContact O-N 3.46Å; F156-D158 VanDerWaalsContact C-N 3.35Å; F156-F159 HydrophobicContact CD2-CD1 4.37Å; F156-F159 HydrophobicContact CE2-CD1 4.03Å; F156-F159 PolarHBondContact O-N 3.41Å; F156-L160 HydrophobicContact CD1-CD1 3.95Å; F156-L160 HydrophobicContact CD1-CG 4.35Å; F156-L160 HydrophobicContact CE1-CD1 3.6Å; F156-L160 HydrophobicContact CE1-CD2 4.3Å; F156-L160 HydrophobicContact CE1-CG 3.99Å; F156-L160 HydrophobicContact CZ-CD1 4.19Å; F156-L160 HydrophobicContact CZ-CD2 4.04Å; F156-L160 HydrophobicContact CZ-CG 4.11Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 3.45Å
157L91Very high85.8Confident83 Ų8345.9 Ų45.944%0.43525%0.245SC..Hα-helixtrans-65.7-37.4171.3-176.563.5000112I132 E155 L160 T161 I169I132-L157 HydrophobicContact CD1-CD1 3.99Å; E155-L157 PolarHBondContact O-N 3.3Å; L157-L160 PolarHBondContact O-N 3.16Å; L157-T161 HydrophobicContact CD1-CG2 4.45Å; L157-T161 WeakPolarHBondContact O-CB 3.27Å; L157-T161 WeakPolarHBondContact O-CG2 3.47Å; L157-T161 PolarHBondContact O-N 3.26Å; L157-T161 PolarHBondContact O-OG1 3.2Å; L157-I169 HydrophobicContact CD1-CD1 4.28Å; L157-I169 HydrophobicContact CD1-CG2 4.46Å
158D89Confident86.2Confident81 Ų8145.7 Ų45.743%0.43325%0.246SC..Hα-helixtrans-70.5-35.5176.9-53.9-50.5000111E155 F156 T161 R162E155-D158 WeakPolarHBondContact O-CA 3.29Å; E155-D158 WeakPolarHBondContact O-CB 3.47Å; E155-D158 PolarHBondContact O-N 3.49Å; F156-D158 VanDerWaalsContact C-N 3.35Å; D158-T161 WeakPolarHBondContact CA-OG1 3.47Å; D158-T161 PolarHBondContact O-OG1 3.02Å; D158-R162 VanDerWaalsContact O-CG 3.23Å; D158-R162 WeakPolarHBondContact O-CG 3.42Å; D158-R162 PolarHBondContact O-N 3.49Å
159F91.4Very high86.9Confident0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-60.1-50.4168.7175.5-94.4000111.9A114 V115 F118 V150 E155 F156 T161 H163 F167A114-F159 HydrophobicContact CB-CE2 3.96Å; A114-F159 HydrophobicContact CB-CZ 3.86Å; V115-F159 HydrophobicContact CG2-CZ 3.93Å; F118-F159 AromaticContact CD2-CE1 3.79Å; F118-F159 HydrophobicContact CD2-CE1 3.79Å; F118-F159 HydrophobicContact CD2-CZ 4.33Å; F118-F159 HydrophobicContact CE2-CE1 4.38Å; V150-F159 HydrophobicContact CB-CD2 4.11Å; V150-F159 HydrophobicContact CB-CE2 4.44Å; V150-F159 HydrophobicContact CB-CG 4.37Å; V150-F159 HydrophobicContact CG1-CB 3.92Å; V150-F159 HydrophobicContact CG1-CD1 4.12Å; V150-F159 HydrophobicContact CG1-CD2 3.96Å; V150-F159 HydrophobicContact CG1-CG 3.72Å; V150-F159 HydrophobicContact CG2-CD2 3.89Å; V150-F159 HydrophobicContact CG2-CE1 4.38Å; V150-F159 HydrophobicContact CG2-CE2 3.73Å; V150-F159 HydrophobicContact CG2-CG 4.31Å; V150-F159 HydrophobicContact CG2-CZ 4Å; E155-F159 PolarHBondContact O-N 2.77Å; F156-F159 HydrophobicContact CD2-CD1 4.37Å; F156-F159 HydrophobicContact CE2-CD1 4.03Å; F156-F159 PolarHBondContact O-N 3.41Å; F159-T161 PolarHBondContact O-N 2.87Å; F159-H163 AromaticContact CD2-CD2 3.97Å; F159-H163 AromaticContact CD2-NE2 3.9Å; F159-H163 AromaticContact CE2-CD2 3.61Å; F159-H163 AromaticContact CE2-NE2 3.48Å; F159-H163 WeakPolarHBondContact CE2-NE2 3.26Å; F159-H163 AromaticContact CZ-CD2 3.65Å; F159-H163 AromaticContact CZ-NE2 3.94Å; F159-H163 PolarHBondContact O-CD2 3.07Å; F159-F167 HydrophobicContact CE1-CE2 4.32Å
160L93.7Very high87.2Confident0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-64.5-40.8-178.4-68.7174.6000112.7I132 L135 F156 L157 H163 F167 I169 V174I132-L160 HydrophobicContact CG1-CD1 4.3Å; I132-L160 HydrophobicContact CG2-CD1 4.04Å; L135-L160 HydrophobicContact CD2-CD2 4.29Å; F156-L160 HydrophobicContact CD1-CD1 3.95Å; F156-L160 HydrophobicContact CD1-CG 4.35Å; F156-L160 HydrophobicContact CE1-CD1 3.6Å; F156-L160 HydrophobicContact CE1-CD2 4.3Å; F156-L160 HydrophobicContact CE1-CG 3.99Å; F156-L160 HydrophobicContact CZ-CD1 4.19Å; F156-L160 HydrophobicContact CZ-CD2 4.04Å; F156-L160 HydrophobicContact CZ-CG 4.11Å; F156-L160 WeakPolarHBondContact O-CG 3.47Å; F156-L160 PolarHBondContact O-N 3.45Å; L157-L160 PolarHBondContact O-N 3.16Å; L160-H163 CarbonylContact O-C 3.58Å; L160-H163 PolarHBondContact O-N 3.35Å; L160-F167 HydrophobicContact CD2-CB 4.35Å; L160-F167 HydrophobicContact CD2-CD1 4.07Å; L160-F167 HydrophobicContact CD2-CD2 3.76Å; L160-F167 HydrophobicContact CD2-CE1 4.35Å; L160-F167 HydrophobicContact CD2-CE2 4.07Å; L160-F167 HydrophobicContact CD2-CG 3.78Å; L160-F167 HydrophobicContact CD2-CZ 4.36Å; L160-I169 HydrophobicContact CB-CD1 3.83Å; L160-V174 HydrophobicContact CD1-CB 4.24Å; L160-V174 HydrophobicContact CD1-CG1 4.26Å; L160-V174 HydrophobicContact CD1-CG2 4.07Å; L160-V174 HydrophobicContact CD2-CG2 4.29Å
161T90.8Very high87.2Confident66 Ų6652.5 Ų52.541%0.40529%0.294SS..Hα-helixtrans-68.4-37.2-179.449.10000112.9L157 D158 F159 H163 S164 I169L157-T161 HydrophobicContact CD1-CG2 4.45Å; L157-T161 WeakPolarHBondContact O-CB 3.27Å; L157-T161 WeakPolarHBondContact O-CG2 3.47Å; L157-T161 PolarHBondContact O-N 3.26Å; L157-T161 PolarHBondContact O-OG1 3.2Å; D158-T161 WeakPolarHBondContact CA-OG1 3.47Å; D158-T161 PolarHBondContact O-OG1 3.02Å; F159-T161 PolarHBondContact O-N 2.87Å; T161-H163 PolarHBondContact O-N 3.48Å; T161-S164 WeakPolarHBondContact O-CB 3.49Å; T161-S164 PolarHBondContact O-N 3.28Å; T161-S164 PolarHBondContact O-OG 3.45Å; T161-I169 HydrophobicContact CG2-CD1 3.59Å
162R89.6Confident87.7Confident109 Ų10957.8 Ų57.841%0.41132%0.321SS..Hα-helixtrans-58.6-27.8171.2-71.7-179.9-38.2117.921112.7E111 D158E111-R162 IonicContact OE1-CZ 3.55Å; E111-R162 IonicContact OE1-NH1 3.46Å; E111-R162 PolarHBondContact OE1-NH1 2.96Å; E111-R162 IonicContact OE1-NH2 3.41Å; E111-R162 PolarHBondContact OE1-NH2 3.38Å; D158-R162 VanDerWaalsContact O-CG 3.23Å; D158-R162 WeakPolarHBondContact O-CG 3.42Å; D158-R162 PolarHBondContact O-N 3.49Å
163H90Very high88.5Confident27 Ų2759.5 Ų59.513%0.12533%0.328CS..THydrogen-bonded Turntrans-105.234.7179.5-57-52.4000113.4E111 V115 F159 L160 T161 L165 I166 F167E111-H163 VanDerWaalsContact CG-CE1 3.47Å; E111-H163 WeakPolarHBondContact CG-CE1 3.39Å; E111-H163 IonicContact OE1-CE1 2.76Å; E111-H163 IonicContact OE1-NE2 2.76Å; E111-H163 IonicContact OE2-CE1 3.2Å; V115-H163 HydrophobicContact CG2-CB 4.32Å; F159-H163 AromaticContact CD2-CD2 3.97Å; F159-H163 AromaticContact CD2-NE2 3.9Å; F159-H163 AromaticContact CE2-CD2 3.61Å; F159-H163 AromaticContact CE2-NE2 3.48Å; F159-H163 WeakPolarHBondContact CE2-NE2 3.26Å; F159-H163 AromaticContact CZ-CD2 3.65Å; F159-H163 AromaticContact CZ-NE2 3.94Å; F159-H163 PolarHBondContact O-CD2 3.07Å; L160-H163 CarbonylContact O-C 3.58Å; L160-H163 PolarHBondContact O-N 3.35Å; T161-H163 PolarHBondContact O-N 3.48Å; H163-L165 PolarHBondContact O-N 2.86Å; H163-I166 PolarHBondContact O-N 3.14Å; H163-F167 HydrophobicContact CB-CD2 3.72Å; H163-F167 HydrophobicContact CB-CE2 3.86Å; H163-F167 PolarHBondContact O-N 3.2Å
164S88.6Confident89.3Confident63 Ų6358.2 Ų58.244%0.44132%0.322SS..THydrogen-bonded Turntrans-60.1-4178.261.40000116.4T161 I166 K177T161-S164 WeakPolarHBondContact O-CB 3.49Å; T161-S164 PolarHBondContact O-N 3.28Å; T161-S164 PolarHBondContact O-OG 3.45Å; S164-I166 VanDerWaalsContact C-N 3.34Å; S164-K177 WeakPolarHBondContact O-CD 3.24Å; S164-K177 PolarHBondContact O-NZ 2.75Å
165L86Confident90Very high128 Ų12854 Ų5467%0.6729%0.292SS*.THydrogen-bonded Turntrans-78.8-17.3167.5-66.4179.1000113.2H163H163-L165 PolarHBondContact O-N 2.86Å
166I88.4Confident90.4Very high58 Ų5852.5 Ų52.530%0.29729%0.286SS..THydrogen-bonded Turntrans-121.8-44.9-172.5-63.9170.7000110.6V115 H163 S164 L176 K177V115-I166 HydrophobicContact CG1-CD1 3.46Å; V115-I166 VanDerWaalsContact CG1-CD1 3.46Å; V115-I166 HydrophobicContact CG1-CG2 4.39Å; H163-I166 PolarHBondContact O-N 3.14Å; S164-I166 VanDerWaalsContact C-N 3.34Å; I166-L176 HydrophobicContact CG2-CD2 4.23Å; I166-K177 WeakPolarHBondContact O-CB 3.31Å; I166-K177 PolarHBondContact O-N 3.24Å
167F92.7Very high90.3Very high4 Ų457.3 Ų57.32%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-94.3140.9176.6-53.7-68.5000111.4F118 L122 F159 L160 H163 V174 G175 L176F118-F167 HydrophobicContact CB-CE1 4.08Å; F118-F167 HydrophobicContact CB-CZ 3.85Å; L122-F167 HydrophobicContact CD1-CD1 3.82Å; L122-F167 HydrophobicContact CD1-CE1 3.92Å; F159-F167 HydrophobicContact CE1-CE2 4.32Å; L160-F167 HydrophobicContact CD2-CB 4.35Å; L160-F167 HydrophobicContact CD2-CD1 4.07Å; L160-F167 HydrophobicContact CD2-CD2 3.76Å; L160-F167 HydrophobicContact CD2-CE1 4.35Å; L160-F167 HydrophobicContact CD2-CE2 4.07Å; L160-F167 HydrophobicContact CD2-CG 3.78Å; L160-F167 HydrophobicContact CD2-CZ 4.36Å; H163-F167 HydrophobicContact CB-CD2 3.72Å; H163-F167 HydrophobicContact CB-CE2 3.86Å; H163-F167 PolarHBondContact O-N 3.2Å; F167-V174 HydrophobicContact CB-CG2 4.1Å; F167-V174 HydrophobicContact CD1-CG2 4.33Å; F167-G175 WeakPolarHBondContact CA-O 3.3Å; F167-L176 HydrophobicContact CD1-CD2 4.02Å; F167-L176 HydrophobicContact CE1-CD2 4.04Å
168E92.5Very high88.9Confident47 Ų4758.7 Ų58.722%0.2232%0.315CS..EExtended strand (participates in β ladder)trans-109.6131.6170.3-163.1-170.6147.900107.4R128 W129 Q170 V174 G175 K177R128-E168 IonicContact CZ-OE2 3.84Å; R128-E168 VanDerWaalsContact NH2-CD 3.28Å; R128-E168 IonicContact NH2-OE1 3.14Å; R128-E168 PolarHBondContact NH2-OE1 2.98Å; R128-E168 VanDerWaalsContact NH2-OE1 3.14Å; R128-E168 IonicContact NH2-OE2 2.69Å; R128-E168 PolarHBondContact NH2-OE2 3.13Å; W129-E168 HydrophobicContact CH2-CB 3.97Å; W129-E168 VanDerWaalsContact CH2-CD 3.48Å; W129-E168 HydrophobicContact CH2-CG 3.75Å; W129-E168 WeakPolarHBondContact CH2-OE1 3.33Å; W129-E168 HydrophobicContact CZ3-CB 4.41Å; W129-E168 WeakPolarHBondContact CZ3-O 3.25Å; E168-Q170 PolarHBondContact OE1-NE2 3.49Å; E168-V174 CarbonylContact O-C 3.59Å; E168-V174 WeakPolarHBondContact O-CA 3.33Å; E168-G175 PolarHBondContact N-O 2.82Å; E168-G175 PolarHBondContact O-N 2.77Å; E168-K177 HydrophobicContact CB-CB 4.46Å
169I92.1Very high87.1Confident55 Ų5565.6 Ų65.628%0.28234%0.335SS..EExtended strand (participates in β ladder)trans-120.3130.4-175.1-59.9171.5000108.8I132 L157 L160 T161 V174I132-I169 HydrophobicContact CD1-CG2 4.07Å; L157-I169 HydrophobicContact CD1-CD1 4.28Å; L157-I169 HydrophobicContact CD1-CG2 4.46Å; L160-I169 HydrophobicContact CB-CD1 3.83Å; T161-I169 HydrophobicContact CG2-CD1 3.59Å; I169-V174 HydrophobicContact CG1-CG2 4.49Å
170Q87Confident84.3Confident99 Ų9971.3 Ų71.346%0.46337%0.37SS..EExtended strand (participates in β ladder)trans-134.988.3178.1-67.3-170.39.900109.3W129 E168 D172 L173W129-Q170 HydrophobicContact CH2-CB 4.14Å; W129-Q170 HydrophobicContact CH2-CG 3.46Å; W129-Q170 VanDerWaalsContact CH2-CG 3.46Å; W129-Q170 HydrophobicContact CZ2-CG 3.99Å; W129-Q170 HydrophobicContact CZ3-CB 4.06Å; W129-Q170 HydrophobicContact CZ3-CG 3.88Å; E168-Q170 PolarHBondContact OE1-NE2 3.49Å; Q170-D172 PolarHBondContact O-N 3.01Å; Q170-L173 PolarHBondContact N-O 3.15Å; Q170-L173 WeakPolarHBondContact O-CB 3.32Å; Q170-L173 PolarHBondContact O-N 2.86Å; Q170-L173 VanDerWaalsContact O-N 3.1Å
171G88.4Confident81.3Confident62 Ų6280.8 Ų80.864%0.63941%0.411SS*.THydrogen-bonded Turntrans60.6-125.9-172.800000111.5I132 L173I132-G171 WeakPolarHBondContact CD1-O 3.39Å; G171-L173 PolarHBondContact O-N 2.92Å
172D90.7Very high78.4Confident119 Ų11984.2 Ų84.264%0.63643%0.432SS*.THydrogen-bonded Turntrans-740.2176.9-77.7-2.5000114.2P131 I132 Q170P131-D172 CarbonylContact C-O 3.54Å; P131-D172 WeakPolarHBondContact CA-O 3.37Å; I132-D172 WeakPolarHBondContact CG1-O 3.42Å; I132-D172 PolarHBondContact N-O 2.96Å; Q170-D172 PolarHBondContact O-N 3.01Å
173L91.6Very high75.6Confident64 Ų6485 Ų8534%0.33545%0.449SS..EExtended strand (participates in β ladder)trans-108.5143.9-177-57175.2000111.9W129 P131 Q170 G171W129-L173 HydrophobicContact CB-CB 4.35Å; W129-L173 HydrophobicContact CB-CD1 4.18Å; W129-L173 HydrophobicContact CE3-CB 3.93Å; P131-L173 HydrophobicContact CB-CD2 4.39Å; P131-L173 HydrophobicContact CG-CD2 4.03Å; Q170-L173 PolarHBondContact N-O 3.15Å; Q170-L173 WeakPolarHBondContact O-CB 3.32Å; Q170-L173 PolarHBondContact O-N 2.86Å; Q170-L173 VanDerWaalsContact O-N 3.1Å; G171-L173 PolarHBondContact O-N 2.92Å
174V93.3Very high72.8Confident0 Ų089.7 Ų89.70%048%0.482CS..EExtended strand (participates in β ladder)trans-128.2143.5172.556.30000110.8L122 V130 I132 L135 L160 F167 E168 I169L122-V174 HydrophobicContact CD1-CG2 4.41Å; V130-V174 PolarHBondContact N-O 2.88Å; V130-V174 WeakPolarHBondContact O-CG1 3.49Å; V130-V174 PolarHBondContact O-N 3.43Å; I132-V174 HydrophobicContact CG1-CB 3.87Å; I132-V174 HydrophobicContact CG1-CG1 3.75Å; L135-V174 HydrophobicContact CB-CG1 4.29Å; L135-V174 HydrophobicContact CD2-CG1 3.65Å; L160-V174 HydrophobicContact CD1-CB 4.24Å; L160-V174 HydrophobicContact CD1-CG1 4.26Å; L160-V174 HydrophobicContact CD1-CG2 4.07Å; L160-V174 HydrophobicContact CD2-CG2 4.29Å; F167-V174 HydrophobicContact CB-CG2 4.1Å; F167-V174 HydrophobicContact CD1-CG2 4.33Å; E168-V174 CarbonylContact O-C 3.59Å; E168-V174 WeakPolarHBondContact O-CA 3.33Å; I169-V174 HydrophobicContact CG1-CG2 4.49Å
175G91.7Very high70Confident1 Ų192 Ų921%0.0150%0.497CS..EExtended strand (participates in β ladder)trans-142.1179.1175.700000111.4R128 F167 E168R128-G175 WeakPolarHBondContact O-CA 3.2Å; F167-G175 WeakPolarHBondContact CA-O 3.3Å; E168-G175 PolarHBondContact N-O 2.82Å; E168-G175 PolarHBondContact O-N 2.77Å
176L91.4Very high67.8Low35 Ų3592 Ų9218%0.18350%0.502CS..EExtended strand (participates in β ladder)trans-91.5137.2174.2-69.3175.1000111.4Q119 L122 L123 I166 F167 N178Q119-L176 HydrophobicContact CB-CD2 4.36Å; Q119-L176 HydrophobicContact CG-CD1 4Å; Q119-L176 HydrophobicContact CG-CD2 4.02Å; L122-L176 HydrophobicContact CB-CD1 4.07Å; L122-L176 HydrophobicContact CB-CG 4.01Å; L122-L176 HydrophobicContact CD1-CD2 3.78Å; L122-L176 HydrophobicContact CD1-CG 3.85Å; L123-L176 HydrophobicContact CD2-CD1 3.83Å; L123-L176 HydrophobicContact CG-CD1 3.77Å; I166-L176 HydrophobicContact CG2-CD2 4.23Å; F167-L176 HydrophobicContact CD1-CD2 4.02Å; F167-L176 HydrophobicContact CE1-CD2 4.04Å; L176-N178 PolarHBondContact O-N 3.31Å
177K86.1Confident65.2Low102 Ų10295 Ų9544%0.44353%0.525SS..  trans-77.4106.1-177.2-161.8175.2-162.8172.80110.3S164 I166 E168 R179S164-K177 WeakPolarHBondContact O-CD 3.24Å; S164-K177 PolarHBondContact O-NZ 2.75Å; I166-K177 WeakPolarHBondContact O-CB 3.31Å; I166-K177 PolarHBondContact O-N 3.24Å; E168-K177 HydrophobicContact CB-CB 4.46Å; K177-R179 PolarHBondContact O-N 2.96Å
178N63.1Low62.4Low112 Ų112103.4 Ų103.460%0.59957%0.565SS**  trans-61102.8-177-75.3-23.1000112.3L176 T180L176-N178 PolarHBondContact O-N 3.31Å; N178-T180 PolarHBondContact O-N 3.12Å
179R51.3Low59.6Low226 Ų226109.7 Ų109.785%0.85359%0.594SS**  trans-70.990.8167.5-80.9-170.5171.2-161.6-2.4110.1K177 K181K177-R179 PolarHBondContact O-N 2.96Å; R179-K181 PolarHBondContact O-N 2.74Å; R179-K181 VanDerWaalsContact O-N 3.16Å
180T32.2Very low56.8Low121 Ų121112.6 Ų112.674%0.74262%0.617SS**  trans-67.1107.3175.4530000111.6N178N178-T180 PolarHBondContact O-N 3.12Å
181K29.7Very low54.5Low198 Ų198115.6 Ų115.686%0.86163%0.634SS**  trans159.989.6138.3-87.3164.3-179.2-178.90112.7R179R179-K181 PolarHBondContact O-N 2.74Å; R179-K181 VanDerWaalsContact O-N 3.16Å
182T31Very low51.8Low138 Ų138119.3 Ų119.385%0.84764%0.64SS**SBendtrans-148.9113.2152.8-210000110.6
183V30.6Very low49.4Very low126 Ų126122.5 Ų122.576%0.76465%0.648SS**  trans27.3121.4163.1-170.30000119.9
184P30.8Very low46.6Very low125 Ų125128.3 Ų128.381%0.81267%0.67SS**  trans-91.3122.2172.134.6-31.2000114.3
185C30.6Very low43.7Very low113 Ų113138 Ų13876%0.76471%0.713SS**  trans-154.5141.4160.3-88.30000107.3
186T38.4Very low41Very low127 Ų127141.4 Ų141.478%0.77975%0.747SS**  cis-154.3154.8-7.61.20000107.7
187P33.5Very low38.5Very low121 Ų121146.2 Ų146.279%0.78678%0.778SS**  trans-94.6115.2-170.534-31.8000114.5
188Q35.1Very low35.9Very low180 Ų180151.5 Ų151.584%0.84180%0.795SS**  trans-156.7100.2165.1-101.6155.911.600108.2
189Q34.2Very low34.6Very low179 Ų179151.9 Ų151.984%0.83680%0.803SS**  96.113981.3-91.4-163.9-1.300113.1
190P31.6Very low33.7Very low117 Ų117148.5 Ų148.576%0.7680%0.802SS**  trans-91.3136.1-16634.6-34.8000113.9
191I40Very low33.9Very low162 Ų162148.1 Ų148.183%0.83180%0.804SS**  trans-115.8103.3172.7-61-178000110.9
192N31Very low34.3Very low140 Ų140143.8 Ų143.875%0.74980%0.799SS**  trans-69.6132.9163.3-71.1-66.5000110.6
193K40.1Very low34.3Very low186 Ų186144.5 Ų144.581%0.80979%0.792SS**  trans-175.2110140.6-97.4142.1-163.9173.60115.6
194K33.3Very low34.3Very low185 Ų185146.7 Ų146.780%0.80479%0.792SS**  trans58.5116.8130-64-178.7176.8179.70122.5
195K32Very low34.5Very low205 Ų205146.1 Ų146.189%0.89179%0.788SS**  trans74.5131130.9-70.7-168.1171.3-1690121
196G35.4Very low34.5Very low72 Ų72147.7 Ų147.774%0.74279%0.789SS**  trans173.644.9171.500000110.8
197V38.5Very low34.3Very low135 Ų135148.5 Ų148.582%0.81879%0.788SS**  65.7107.1111.7-1780000113.6
198R30.7Very low34.4Very low213 Ų213148.4 Ų148.480%0.80478%0.78SS**  trans-116.7132.3168.7180-161.6-73.2-178-4.2108
199P37.4Very low34.4Very low120 Ų120146.9 Ų146.978%0.77977%0.773SS**  trans-68.2142.3170.8-18.632.5000112.1
200L30.9Very low34.2Very low156 Ų156147.6 Ų147.682%0.81777%0.768SS**  trans-150.4119.7174.9-101.4171.8000110.7
201S36.3Very low34.3Very low113 Ų113148 Ų14879%0.7976%0.762SS**  trans-173.6146.1172.149.40000107.4
202S38Very low33.9Very low107 Ų107145.1 Ų145.175%0.74876%0.757SS**  cis-164.1123.1-11.139.90000104.9
203H31Very low34.1Very low152 Ų152144.8 Ų144.870%0.70476%0.76SS**  71.4127.766.2-135.8-65000114.8
204F30.5Very low33.7Very low173 Ų173141.4 Ų141.476%0.75976%0.757SS**  trans78.9154.4175.3-51.8-71.1000118.1
205P36.3Very low33.5Very low112 Ų112137.9 Ų137.973%0.72775%0.754SS**  -136.5-170.7-5340.3-24.6000113.3
206D31.1Very low33.5Very low147 Ų147133.2 Ų133.279%0.78675%0.747SS**  trans-61.2158175.4-48.9-101000115.1
207D34.3Very low33.2Very low144 Ų144140.4 Ų140.477%0.7775%0.752SS**  -165.4140.5116.7-112.6-16000116.6
208L35.2Very low33Very low119 Ų119141.3 Ų141.362%0.62375%0.75SS**  trans59.4118.5145.8-54.5171000124.5
209H35.6Very low32.9Very low148 Ų148137 Ų13769%0.68574%0.743SS**  trans79.7147.5131.9-65.9-5.1000119.7
210R30Very low32.5Very low193 Ų193137.6 Ų137.673%0.72874%0.74SS**  cis-164.1151.7-7-117173.3169.5-144.4-1.1111.7
211I33Very low32.4Very low126 Ų126136.2 Ų136.265%0.64673%0.733SS**  trans61.7103.4143.9-67166.8000118.1
212S32.4Very low32Very low101 Ų101140.6 Ų140.671%0.70673%0.734SS**  87.4131.896.3-54.90000114.5
213V33.2Very low31.6Very low134 Ų134144 Ų14481%0.81274%0.743SS**  cis7113145.6179.40000111.9
214P32.2Very low31.4Very low115 Ų115141 Ų14175%0.74774%0.739SS**  cis-139.5159.814.536.2-15000120.2
215C28.6Very low31.4Very low110 Ų110140.8 Ų140.874%0.74375%0.745SS**  28.6126.2129.3-1640000124.6
216S32.1Very low31.1Very low107 Ų107141.9 Ų141.975%0.74874%0.74SS**  trans-163132.2131.132.70000108.5
217R29.4Very low31Very low223 Ų223145.1 Ų145.184%0.84274%0.741SS**  56.8127.573.7-59.3-173.7-175.9-175.31.5111.7
218I33.9Very low30.8Very low154 Ų154144.9 Ų144.979%0.7975%0.745SS**  -154.5151.763.9-84.4170.1000112.9
219D30.7Very low30.4Very low123 Ų123142.7 Ų142.766%0.65875%0.751SS**  trans0.3134.4156.9-58.1-60.4000120.9
220N28.8Very low30.4Very low132 Ų132141.2 Ų141.271%0.70675%0.754SS**  55.6103.671.9-64.3-47.5000114.6
221N28.1Very low30.5Very low127 Ų127140.8 Ų140.868%0.67976%0.761SS**  158.1143.2100.3-92.2-30.5000114.9
222Y27.2Very low30.4Very low205 Ų205144 Ų14480%0.80477%0.773SS**  trans59.3125.3143.3-70.4-145.9000118.8
223L31.2Very low30.4Very low180 Ų180144.1 Ų144.194%0.94277%0.774SS**  -156.2161.3102.8-103.9168.7000110.4
224S25.5Very low30.2Very low87 Ų87139.7 Ų139.761%0.60875%0.751SS**  trans-131.9137.3-174.1177.10000110.6
225L30.1Very low30.4Very low170 Ų170139.3 Ų139.389%0.8975%0.749SS**  trans-153.498166.4-135.668.5000107.7
226H31Very low30.3Very low134 Ų134140.4 Ų140.462%0.6274%0.741SS**  56.8109.283.2-87.1-112.8000115.9
227R28.9Very low30.4Very low216 Ų216142.8 Ų142.882%0.81574%0.744SS**  56.4143.9129-61.6-166.2-173-161.50.7119
228T28.8Very low30.8Very low139 Ų139138.1 Ų138.185%0.85373%0.732SS**  cis-165153.72.48.90000109.4
229G27.9Very low31.5Very low72 Ų72134 Ų13474%0.74272%0.717SS**  trans-172.5117.4169.700000110.5
230P34.7Very low32.8Very low117 Ų117135.3 Ų135.376%0.7672%0.719SS**  trans-116.8168.1-160.942.2-35.3000117.1
231E32Very low35.1Very low184 Ų184131.1 Ų131.186%0.8670%0.697SS**  trans60.8112.9151.1-74.2179.4154.800121.6
232E32.3Very low37.6Very low195 Ų195127 Ų12791%0.91168%0.675SS**  -136.6162124.8-165.1159.3-162.900109.3
233S32.4Very low40.2Very low103 Ų103117.8 Ų117.872%0.7264%0.639SS**  trans-82.8151.8-153.361.70000117.7
234A29Very low42.5Very low41 Ų41110.2 Ų110.234%0.33960%0.599SS.*  trans-114150.9175.600000114.2D426 N427 N428A234-D426 WeakPolarHBondContact CB-O 3.46Å; A234-N427 WeakPolarHBondContact CB-OD1 3.1Å; A234-N427 PolarHBondContact O-OD1 3.35Å; A234-N427 VanDerWaalsContact O-OD1 3.05Å; A234-N428 PolarHBondContact O-ND2 2.84Å
235P34.7Very low45.1Very low107 Ų107106.1 Ų106.170%0.69557%0.571SS**  trans-99.7127.5-178.836.7-32.2000115.7L237 N427P235-L237 PolarHBondContact O-N 3.33Å; P235-N427 VanDerWaalsContact C-CG 3.42Å; P235-N427 VanDerWaalsContact CA-OD1 3.26Å; P235-N427 WeakPolarHBondContact CA-OD1 3.31Å; P235-N427 VanDerWaalsContact O-CG 3.29Å; P235-N427 PolarHBondContact O-ND2 3.17Å; P235-N427 PolarHBondContact O-OD1 3.18Å
236K27.2Very low47.4Very low133 Ų13398.2 Ų98.258%0.57853%0.53SS*.  trans-53135.3174.2-93.2159.7177.6150.30111.3N427 N428K236-N427 PolarHBondContact N-OD1 2.93Å; K236-N427 VanDerWaalsContact N-OD1 3.13Å; K236-N428 HydrophobicContact CD-CB 3.88Å; K236-N428 HydrophobicContact CG-CB 4.04Å; K236-N428 PolarHBondContact N-ND2 3.03Å
237L34.9Very low50Low156 Ų15692.7 Ų92.782%0.81751%0.505SS*.  trans-127139.9166.4-145.974.3000110.7P235P235-L237 PolarHBondContact O-N 3.33Å
238Q37Very low52.6Low126 Ų12684.7 Ų84.759%0.58948%0.478SS*.  trans-94.2133.9-168.3-66158.6-88.100110.7E240Q238-E240 VanDerWaalsContact C-N 3.27Å; Q238-E240 PolarHBondContact O-N 2.7Å
239S49.8Very low55.5Low68 Ų6878.8 Ų78.848%0.47644%0.441SS..G310 helixtrans-72.2-20.6177.651.40000113.6D241S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 3.42Å
240E57.1Low58.5Low150 Ų15075.3 Ų75.370%0.70141%0.406SS*.G310 helixtrans-70.6-15.9-172.9-62.3-174.3134.300114.5Q238 R304Q238-E240 VanDerWaalsContact C-N 3.27Å; Q238-E240 PolarHBondContact O-N 2.7Å; E240-R304 PolarHBondContact O-NE 3.02Å; E240-R304 PolarHBondContact O-NH2 2.9Å
241D77.4Confident61.1Low43 Ų4370.2 Ų70.223%0.2337%0.371CS..G310 helixtrans-95.3-0.4-177.4-83.6-43.9000114S239 R304 K322 L323 N324S239-D241 VanDerWaalsContact C-N 3.27Å; S239-D241 PolarHBondContact O-N 3.42Å; D241-R304 PolarHBondContact O-NH2 3.46Å; D241-K322 WeakPolarHBondContact OD1-CB 3.5Å; D241-L323 CarbonylContact O-C 3.55Å; D241-L323 VanDerWaalsContact O-CA 3.25Å; D241-L323 WeakPolarHBondContact O-CA 3.21Å; D241-N324 PolarHBondContact O-N 3.12Å
242N79.9Confident64Low41 Ų4161.4 Ų61.422%0.21933%0.331CS..EExtended strand (participates in β ladder)trans-97.7139.2-175.8-66.9-14.9000112.8R304 N324 F326 F518N242-R304 PolarHBondContact O-NH1 2.92Å; N242-R304 PolarHBondContact O-NH2 2.83Å; N242-N324 WeakPolarHBondContact OD1-CB 3.46Å; N242-N324 PolarHBondContact OD1-ND2 3.25Å; N242-F326 HydrophobicContact CB-CD2 4.45Å; N242-F326 HydrophobicContact CB-CE2 3.7Å; N242-F518 HydrophobicContact CB-CE2 4.21Å; N242-F518 VanDerWaalsContact O-CE2 3.24Å; N242-F518 WeakPolarHBondContact O-CE2 3.35Å; N242-F518 WeakPolarHBondContact O-CZ 3.43Å
243I82.8Confident66.9Low11 Ų1152.1 Ų52.16%0.05629%0.287CS..EExtended strand (participates in β ladder)trans-133.6129.5173.5-55.3-178.8000109.4V245 Y302 R304 I305 L323 N324 L325 F326I243-V245 HydrophobicContact CG2-CG1 3.93Å; I243-Y302 HydrophobicContact CG2-CE1 4.48Å; I243-R304 HydrophobicContact CD1-CB 3.93Å; I243-I305 HydrophobicContact CD1-CD1 4.07Å; I243-I305 HydrophobicContact CD1-CG1 3.97Å; I243-L323 HydrophobicContact CD1-CD1 3.94Å; I243-L323 HydrophobicContact CD1-CD2 4.45Å; I243-N324 PolarHBondContact N-O 3.06Å; I243-L325 HydrophobicContact CB-CD1 4.05Å; I243-L325 HydrophobicContact CG2-CD1 4.03Å; I243-L325 WeakPolarHBondContact O-CA 3.45Å; I243-F326 WeakPolarHBondContact O-CD2 3.5Å; I243-F326 PolarHBondContact O-N 3.21Å
244I78.4Confident69.9Low21 Ų2147.2 Ų47.211%0.10825%0.253CS..EExtended strand (participates in β ladder)trans-108.5133.9172.9-49.4-157.3000110.2F326 A328 A510 E514 I515 F518I244-F326 WeakPolarHBondContact CA-O 3.43Å; I244-F326 HydrophobicContact CD1-CB 4.3Å; I244-F326 HydrophobicContact CG1-CB 4.01Å; I244-F326 HydrophobicContact CG1-CD2 4.16Å; I244-F326 HydrophobicContact CG1-CG 4.45Å; I244-F326 HydrophobicContact CG2-CB 4.49Å; I244-F326 WeakPolarHBondContact CG2-O 3.44Å; I244-A328 HydrophobicContact CG2-CB 4.47Å; I244-A510 HydrophobicContact CG2-CB 4.38Å; I244-E514 VanDerWaalsContact CD1-C 3.48Å; I244-E514 HydrophobicContact CD1-CB 4.11Å; I244-E514 VanDerWaalsContact CD1-O 3.26Å; I244-E514 WeakPolarHBondContact CD1-O 3.42Å; I244-I515 HydrophobicContact CG2-CG1 4.41Å; I244-F518 HydrophobicContact CB-CD1 4.1Å; I244-F518 HydrophobicContact CB-CG 4.21Å; I244-F518 HydrophobicContact CD1-CB 3.56Å; I244-F518 HydrophobicContact CD1-CD2 4.17Å; I244-F518 HydrophobicContact CD1-CG 3.9Å; I244-F518 HydrophobicContact CG1-CB 3.9Å; I244-F518 HydrophobicContact CG1-CD1 4.04Å; I244-F518 HydrophobicContact CG1-CD2 3.82Å; I244-F518 HydrophobicContact CG1-CE2 4.33Å; I244-F518 HydrophobicContact CG1-CG 3.65Å
245V79.6Confident73Confident2 Ų246.1 Ų46.11%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-136157.6-176.4-60.90000110.1I243 D249 C250 L253 Y302 L325 F326 V327 A328I243-V245 HydrophobicContact CG2-CG1 3.93Å; V245-D249 HydrophobicContact CB-CB 4.15Å; V245-C250 HydrophobicContact CG2-CB 3.73Å; V245-L253 HydrophobicContact CG1-CD1 3.76Å; V245-Y302 HydrophobicContact CG1-CE1 3.62Å; V245-L325 HydrophobicContact CB-CD1 4.43Å; V245-L325 HydrophobicContact CG1-CD1 3.73Å; V245-L325 HydrophobicContact CG2-CD1 3.77Å; V245-L325 HydrophobicContact CG2-CD2 4.48Å; V245-L325 HydrophobicContact CG2-CG 4.07Å; V245-F326 PolarHBondContact N-O 3.23Å; V245-V327 HydrophobicContact CG2-CG2 4.34Å; V245-A328 WeakPolarHBondContact O-CB 3.37Å; V245-A328 PolarHBondContact O-N 3.06Å
246C79.5Confident75.9Confident3 Ų341 Ų412%0.0221%0.207CC..EExtended strand (participates in β ladder)trans-78.6168.6163.168.30000111.2D248 D249 C250 A328 R330 H331C246-D248 VanDerWaalsContact C-N 3.31Å; C246-D248 PolarHBondContact O-N 3.39Å; C246-D249 PolarHBondContact O-N 3.32Å; C246-D249 VanDerWaalsContact SG-CB 3.51Å; C246-D249 PolarHBondContact SG-N 3.09Å; C246-D249 PolarHBondContact SG-OD2 2.9Å; C246-C250 WeakPolarHBondContact O-CB 3.34Å; C246-C250 PolarHBondContact O-N 3.35Å; C246-A328 CarbonylContact C-O 3.21Å; C246-A328 WeakPolarHBondContact CA-O 3.42Å; C246-R330 VanDerWaalsContact CB-C 3.45Å; C246-R330 WeakPolarHBondContact CB-O 3.47Å; C246-H331 PolarHBondContact SG-CE1 3.03Å; C246-H331 PolarHBondContact SG-ND1 3.21Å; C246-H331 VanDerWaalsContact SG-ND1 3.38Å
247L84.9Confident79.1Confident19 Ų1934.7 Ų34.710%0.09918%0.179CC..Hα-helixtrans-56-44.4176.4-179.162.1000112.5C250 K251 V327 A328 L487 F488L247-C250 WeakPolarHBondContact O-CB 3.43Å; L247-C250 PolarHBondContact O-N 2.99Å; L247-K251 HydrophobicContact CG-CD 4.5Å; L247-K251 WeakPolarHBondContact O-CG 3.41Å; L247-K251 PolarHBondContact O-N 3.45Å; L247-V327 HydrophobicContact CB-CG1 4.23Å; L247-V327 HydrophobicContact CD1-CG1 4.04Å; L247-A328 PolarHBondContact N-O 2.97Å; L247-L487 HydrophobicContact CD1-CB 3.96Å; L247-L487 HydrophobicContact CD1-CD1 4.02Å; L247-L487 HydrophobicContact CD2-CB 4.16Å; L247-L487 HydrophobicContact CD2-CD1 4.1Å; L247-L487 HydrophobicContact CD2-CD2 4.32Å; L247-L487 HydrophobicContact CD2-CG 4.43Å; L247-F488 HydrophobicContact CD1-CE2 4.48Å
248D84.5Confident81.9Confident48 Ų4830.2 Ų30.226%0.25715%0.152SC..Hα-helixtrans-69-44.6-177.6-46-78.5000111.4C246 C250 K251 A252 C287 H331C246-D248 VanDerWaalsContact C-N 3.31Å; C246-D248 PolarHBondContact O-N 3.39Å; D248-C250 VanDerWaalsContact C-N 3.25Å; D248-C250 PolarHBondContact O-N 3.43Å; D248-K251 PolarHBondContact O-N 2.96Å; D248-A252 PolarHBondContact O-N 3.44Å; D248-C287 VanDerWaalsContact C-SG 3.54Å; D248-C287 HydrophobicContact CB-CB 4.43Å; D248-C287 PolarHBondContact O-SG 3.39Å; D248-H331 IonicContact OD2-CD2 3.09Å; D248-H331 PolarHBondContact OD2-CD2 3.01Å; D248-H331 IonicContact OD2-NE2 2.72Å
249D88.4Confident84.6Confident14 Ų1425.3 Ų25.38%0.07513%0.13CC..Hα-helixtrans-57.1-39.7169.6-75-29.5000110.8V245 C246 A252 L253 F298 K301 Y302V245-D249 HydrophobicContact CB-CB 4.15Å; C246-D249 PolarHBondContact O-N 3.32Å; C246-D249 VanDerWaalsContact SG-CB 3.51Å; C246-D249 PolarHBondContact SG-N 3.09Å; C246-D249 PolarHBondContact SG-OD2 2.9Å; D249-A252 PolarHBondContact O-N 3.07Å; D249-L253 VanDerWaalsContact O-CB 3.3Å; D249-L253 WeakPolarHBondContact O-CB 3.44Å; D249-L253 WeakPolarHBondContact O-CG 3.5Å; D249-L253 PolarHBondContact O-N 3.39Å; D249-F298 WeakPolarHBondContact OD1-CE2 3.34Å; D249-K301 IonicContact OD1-NZ 3.27Å; D249-K301 PolarHBondContact OD1-NZ 2.83Å; D249-K301 IonicContact OD2-NZ 3.73Å; D249-K301 PolarHBondContact OD2-NZ 3.27Å; D249-Y302 HydrophobicContact CB-CE2 4.39Å; D249-Y302 WeakPolarHBondContact CB-OH 3.22Å; D249-Y302 VanDerWaalsContact CG-OH 3.26Å; D249-Y302 PolarHBondContact OD2-OH 2.99Å
250C91Very high86.7Confident0 Ų022 Ų220%011%0.108CC..Hα-helixtrans-67-39.8178.5-164.40000112.7V245 C246 L247 D248 L253 F254 V327 F488V245-C250 HydrophobicContact CG2-CB 3.73Å; C246-C250 WeakPolarHBondContact O-CB 3.34Å; C246-C250 PolarHBondContact O-N 3.35Å; L247-C250 WeakPolarHBondContact O-CB 3.43Å; L247-C250 PolarHBondContact O-N 2.99Å; D248-C250 VanDerWaalsContact C-N 3.25Å; D248-C250 PolarHBondContact O-N 3.43Å; C250-L253 PolarHBondContact O-N 2.9Å; C250-F254 WeakPolarHBondContact O-CB 3.44Å; C250-F254 WeakPolarHBondContact O-CD1 3.34Å; C250-F254 WeakPolarHBondContact O-CG 3.47Å; C250-F254 PolarHBondContact O-N 3.47Å; C250-V327 HydrophobicContact CB-CG1 4.16Å; C250-V327 HydrophobicContact CB-CG2 4.22Å; C250-F488 HydrophobicContact CB-CZ 4.5Å
251K91.3Very high88.2Confident9 Ų916.7 Ų16.74%0.0398%0.082CC..Hα-helixtrans-62.7-49.9173.9-73.5172.6172-169.90110.6L247 D248 L253 F254 W255 L487 F488 D491 M493L247-K251 HydrophobicContact CG-CD 4.5Å; L247-K251 WeakPolarHBondContact O-CG 3.41Å; L247-K251 PolarHBondContact O-N 3.45Å; D248-K251 PolarHBondContact O-N 2.96Å; K251-L253 PolarHBondContact O-N 2.96Å; K251-F254 PolarHBondContact O-N 3.43Å; K251-W255 PolarHBondContact O-N 2.94Å; K251-L487 WeakPolarHBondContact CE-O 3.36Å; K251-L487 PolarHBondContact NZ-O 3.26Å; K251-F488 HydrophobicContact CB-CE1 4.44Å; K251-F488 HydrophobicContact CG-CD1 4.17Å; K251-F488 HydrophobicContact CG-CE1 3.9Å; K251-F488 HydrophobicContact CG-CZ 4.17Å; K251-D491 VanDerWaalsContact CD-OD2 3.28Å; K251-D491 WeakPolarHBondContact CD-OD2 3.43Å; K251-D491 WeakPolarHBondContact CE-OD2 3.32Å; K251-D491 IonicContact NZ-OD1 2.67Å; K251-D491 IonicContact NZ-OD2 3.93Å; K251-D491 PolarHBondContact NZ-OD2 3.42Å; K251-M493 HydrophobicContact CB-CE 3.99Å; K251-M493 HydrophobicContact CB-SD 3.98Å; K251-M493 HydrophobicContact CD-SD 4.41Å; K251-M493 HydrophobicContact CG-SD 4.19Å; K251-M493 VanDerWaalsContact O-CE 3.3Å; K251-M493 WeakPolarHBondContact O-CE 3.47Å
252A92.4Very high88.7Confident0 Ų020 Ų200%010%0.096CC..Hα-helixtrans-58.7-43.9175.600000112.7D248 D249 W255 L256 V284 C287 I288 F298D248-A252 PolarHBondContact O-N 3.44Å; D249-A252 PolarHBondContact O-N 3.07Å; A252-W255 PolarHBondContact O-N 3.24Å; A252-L256 WeakPolarHBondContact O-CB 3.44Å; A252-L256 VanDerWaalsContact O-CG 3.26Å; A252-L256 WeakPolarHBondContact O-CG 3.45Å; A252-L256 PolarHBondContact O-N 3.2Å; A252-V284 HydrophobicContact CB-CG1 4.39Å; A252-C287 HydrophobicContact CB-CB 4.11Å; A252-I288 HydrophobicContact CB-CD1 3.97Å; A252-I288 HydrophobicContact CB-CG1 3.77Å; A252-F298 HydrophobicContact CB-CE1 4.08Å; A252-F298 HydrophobicContact CB-CE2 4.24Å; A252-F298 HydrophobicContact CB-CZ 3.58Å
253L93.5Very high89Confident0 Ų021.1 Ų21.10%010%0.102CC..Hα-helixtrans-58.7-48.2174.4-80.1173000112.7V245 D249 C250 K251 L256 M257 F298 Y302 I305 F306V245-L253 HydrophobicContact CG1-CD1 3.76Å; D249-L253 VanDerWaalsContact O-CB 3.3Å; D249-L253 WeakPolarHBondContact O-CB 3.44Å; D249-L253 WeakPolarHBondContact O-CG 3.5Å; D249-L253 PolarHBondContact O-N 3.39Å; C250-L253 PolarHBondContact O-N 2.9Å; K251-L253 PolarHBondContact O-N 2.96Å; L253-L256 PolarHBondContact O-N 3.02Å; L253-M257 WeakPolarHBondContact O-CB 3.35Å; L253-M257 VanDerWaalsContact O-CG 3.28Å; L253-M257 WeakPolarHBondContact O-CG 3.47Å; L253-M257 PolarHBondContact O-N 3.4Å; L253-F298 HydrophobicContact CD2-CE1 4.28Å; L253-F298 HydrophobicContact CG-CE1 4.4Å; L253-Y302 HydrophobicContact CD1-CD1 4.21Å; L253-Y302 HydrophobicContact CD1-CD2 4.29Å; L253-Y302 HydrophobicContact CD1-CE1 4.2Å; L253-Y302 HydrophobicContact CD1-CE2 4.23Å; L253-Y302 HydrophobicContact CD1-CG 4.27Å; L253-Y302 HydrophobicContact CD2-CD1 4.45Å; L253-Y302 HydrophobicContact CD2-CD2 3.7Å; L253-Y302 HydrophobicContact CD2-CE2 4.34Å; L253-Y302 HydrophobicContact CD2-CG 3.76Å; L253-Y302 HydrophobicContact CG-CD2 4.16Å; L253-Y302 HydrophobicContact CG-CE2 4.31Å; L253-Y302 HydrophobicContact CG-CG 4.44Å; L253-I305 HydrophobicContact CD1-CD1 3.94Å; L253-I305 HydrophobicContact CD2-CD1 3.87Å; L253-I305 HydrophobicContact CD2-CG2 4.46Å; L253-F306 HydrophobicContact CD2-CE2 3.43Å; L253-F306 VanDerWaalsContact CD2-CE2 3.43Å; L253-F306 HydrophobicContact CD2-CZ 3.8Å
254F94.6Very high88.6Confident0 Ų028.7 Ų28.70%014%0.142CC..Hα-helixtrans-65.8-41.4-178.7-82.124.8000111.4C250 K251 Y258 L325 F488 Y497 I500 I501 F504 V507C250-F254 WeakPolarHBondContact O-CB 3.44Å; C250-F254 WeakPolarHBondContact O-CD1 3.34Å; C250-F254 WeakPolarHBondContact O-CG 3.47Å; C250-F254 PolarHBondContact O-N 3.47Å; K251-F254 PolarHBondContact O-N 3.43Å; F254-Y258 VanDerWaalsContact O-CB 3.23Å; F254-Y258 WeakPolarHBondContact O-CB 3.41Å; F254-Y258 PolarHBondContact O-N 3.45Å; F254-L325 HydrophobicContact CE1-CD2 3.63Å; F254-L325 HydrophobicContact CZ-CD2 4.28Å; F254-F488 HydrophobicContact CB-CE1 3.98Å; F254-F488 HydrophobicContact CD2-CD1 4.27Å; F254-F488 AromaticContact CD2-CE1 3.39Å; F254-F488 HydrophobicContact CD2-CE1 3.39Å; F254-F488 AromaticContact CD2-CZ 3.62Å; F254-F488 HydrophobicContact CD2-CZ 3.62Å; F254-F488 HydrophobicContact CE2-CE1 4.12Å; F254-F488 AromaticContact CE2-CZ 3.91Å; F254-F488 HydrophobicContact CE2-CZ 3.91Å; F254-F488 AromaticContact CG-CE1 3.88Å; F254-F488 HydrophobicContact CG-CE1 3.88Å; F254-F488 HydrophobicContact CG-CZ 4.17Å; F254-Y497 HydrophobicContact CD2-CD2 4.31Å; F254-Y497 AromaticContact CE2-CD2 3.89Å; F254-Y497 HydrophobicContact CE2-CD2 3.89Å; F254-Y497 HydrophobicContact CE2-CE2 4.46Å; F254-I500 HydrophobicContact CB-CB 4.41Å; F254-I500 HydrophobicContact CB-CG2 4.36Å; F254-I500 HydrophobicContact CD1-CB 4.33Å; F254-I500 HydrophobicContact CD1-CG2 3.54Å; F254-I500 HydrophobicContact CD2-CB 4.16Å; F254-I500 HydrophobicContact CD2-CG2 4.21Å; F254-I500 HydrophobicContact CE1-CG2 3.73Å; F254-I500 HydrophobicContact CE2-CB 4.49Å; F254-I500 HydrophobicContact CE2-CG2 4.37Å; F254-I500 HydrophobicContact CG-CB 4.06Å; F254-I500 HydrophobicContact CG-CG2 3.78Å; F254-I500 HydrophobicContact CZ-CG2 4.15Å; F254-I501 HydrophobicContact CE2-CB 4.48Å; F254-F504 HydrophobicContact CD1-CE2 4.47Å; F254-F504 HydrophobicContact CE1-CD2 4.28Å; F254-F504 AromaticContact CE1-CE2 3.78Å; F254-F504 HydrophobicContact CE1-CE2 3.78Å; F254-V507 HydrophobicContact CZ-CG1 4.18Å; F254-V507 HydrophobicContact CZ-CG2 4.27Å
255W95.1Very high88.5Confident17 Ų1734.2 Ų34.26%0.06417%0.165CC..Hα-helixtrans-63.6-46.1175.3-173.387.3000112.3K251 A252 Y258 V259 E276 L277 A280 V284 M493K251-W255 PolarHBondContact O-N 2.94Å; A252-W255 PolarHBondContact O-N 3.24Å; W255-Y258 PolarHBondContact O-N 2.86Å; W255-V259 HydrophobicContact CD2-CG2 4.04Å; W255-V259 HydrophobicContact CE3-CG2 4.27Å; W255-V259 HydrophobicContact CH2-CG2 3.79Å; W255-V259 HydrophobicContact CZ2-CG2 3.56Å; W255-V259 HydrophobicContact CZ3-CG2 4.16Å; W255-V259 WeakPolarHBondContact O-CG2 3.37Å; W255-V259 PolarHBondContact O-N 3.38Å; W255-E276 HydrophobicContact CH2-CB 3.87Å; W255-E276 HydrophobicContact CZ2-CB 4.38Å; W255-L277 HydrophobicContact CH2-CB 4.34Å; W255-L277 HydrophobicContact CH2-CD1 4.48Å; W255-L277 HydrophobicContact CZ3-CB 4.41Å; W255-L277 HydrophobicContact CZ3-CD1 4.02Å; W255-A280 HydrophobicContact CD2-CB 3.97Å; W255-A280 HydrophobicContact CE3-CB 4.28Å; W255-A280 HydrophobicContact CH2-CB 3.84Å; W255-A280 HydrophobicContact CZ2-CB 3.44Å; W255-A280 VanDerWaalsContact CZ2-CB 3.44Å; W255-A280 HydrophobicContact CZ3-CB 4.22Å; W255-V284 HydrophobicContact CB-CG1 4.17Å; W255-V284 HydrophobicContact CB-CG2 3.85Å; W255-V284 HydrophobicContact CD2-CG1 3.91Å; W255-V284 HydrophobicContact CE3-CG1 3.75Å; W255-V284 HydrophobicContact CG-CG1 4.08Å; W255-V284 HydrophobicContact CG-CG2 4.05Å; W255-M493 HydrophobicContact CB-CE 3.78Å; W255-M493 HydrophobicContact CG-CE 4.47Å
256L95Very high88.5Confident0 Ų037.6 Ų37.60%018%0.183CC..Hα-helixtrans-60-48.8176-74.7170.4000111.7A252 L253 Y258 V259 I260 L273 I288 L295 F298 L299 F306A252-L256 WeakPolarHBondContact O-CB 3.44Å; A252-L256 VanDerWaalsContact O-CG 3.26Å; A252-L256 WeakPolarHBondContact O-CG 3.45Å; A252-L256 PolarHBondContact O-N 3.2Å; L253-L256 PolarHBondContact O-N 3.02Å; L256-Y258 VanDerWaalsContact C-N 3.31Å; L256-Y258 PolarHBondContact O-N 2.99Å; L256-V259 PolarHBondContact O-N 2.53Å; L256-I260 WeakPolarHBondContact O-CD1 3.44Å; L256-I260 WeakPolarHBondContact O-CG1 3.39Å; L256-I260 PolarHBondContact O-N 3.24Å; L256-L273 HydrophobicContact CD2-CD1 3.97Å; L256-L273 HydrophobicContact CD2-CD2 4.1Å; L256-L273 HydrophobicContact CD2-CG 4.2Å; L256-I288 HydrophobicContact CD1-CD1 3.74Å; L256-I288 HydrophobicContact CD2-CD1 4.03Å; L256-I288 HydrophobicContact CG-CD1 3.84Å; L256-L295 HydrophobicContact CD2-CD1 4Å; L256-F298 HydrophobicContact CD1-CD1 3.73Å; L256-F298 HydrophobicContact CD1-CE1 3.71Å; L256-L299 HydrophobicContact CD1-CD2 4.08Å; L256-F306 HydrophobicContact CB-CE1 4.12Å; L256-F306 HydrophobicContact CB-CZ 3.79Å; L256-F306 HydrophobicContact CD1-CE2 4.37Å; L256-F306 HydrophobicContact CD1-CZ 4.09Å
257M94.2Very high88.9Confident0 Ų040.6 Ų40.60%020%0.197CC..Hα-helixtrans-62.8-37.6178.1-70.3176.472.200112.1L253 K261 I305 F306 V317 T320 I500 F504L253-M257 WeakPolarHBondContact O-CB 3.35Å; L253-M257 VanDerWaalsContact O-CG 3.28Å; L253-M257 WeakPolarHBondContact O-CG 3.47Å; L253-M257 PolarHBondContact O-N 3.4Å; M257-K261 VanDerWaalsContact O-CB 3.27Å; M257-K261 WeakPolarHBondContact O-CB 3.36Å; M257-K261 WeakPolarHBondContact O-CG 3.48Å; M257-K261 PolarHBondContact O-N 3.4Å; M257-I305 HydrophobicContact CE-CG2 4.23Å; M257-I305 HydrophobicContact CG-CG2 3.85Å; M257-I305 HydrophobicContact SD-CG2 3.54Å; M257-I305 VanDerWaalsContact SD-CG2 3.54Å; M257-F306 HydrophobicContact CG-CE1 3.88Å; M257-F306 HydrophobicContact CG-CZ 4.07Å; M257-V317 HydrophobicContact CE-CG1 3.98Å; M257-V317 HydrophobicContact CG-CG1 4.26Å; M257-V317 HydrophobicContact CG-CG2 4.46Å; M257-T320 HydrophobicContact CE-CG2 3.6Å; M257-I500 HydrophobicContact CB-CD1 3.61Å; M257-I500 HydrophobicContact CB-CG1 4.06Å; M257-I500 HydrophobicContact CB-CG2 4.32Å; M257-I500 HydrophobicContact CE-CG2 4.05Å; M257-I500 HydrophobicContact SD-CG2 3.89Å; M257-F504 HydrophobicContact CE-CE2 3.86Å; M257-F504 HydrophobicContact CE-CZ 4Å; M257-F504 HydrophobicContact SD-CE2 3.79Å; M257-F504 HydrophobicContact SD-CZ 3.72Å
258Y93.9Very high89.2Confident62 Ų6240 Ų4024%0.24319%0.194CC..Hα-helixtrans-63.2-51.5175.8178.5-95.6000111.1F254 W255 L256 I260 K261 H262 E496 F499F254-Y258 VanDerWaalsContact O-CB 3.23Å; F254-Y258 WeakPolarHBondContact O-CB 3.41Å; F254-Y258 PolarHBondContact O-N 3.45Å; W255-Y258 PolarHBondContact O-N 2.86Å; L256-Y258 VanDerWaalsContact C-N 3.31Å; L256-Y258 PolarHBondContact O-N 2.99Å; Y258-I260 PolarHBondContact O-N 3.44Å; Y258-K261 PolarHBondContact O-N 3.29Å; Y258-H262 AromaticContact CD2-CD2 3.69Å; Y258-H262 AromaticContact CD2-NE2 3.88Å; Y258-H262 AromaticContact CE1-CD2 3.89Å; Y258-H262 AromaticContact CE2-CD2 3.49Å; Y258-H262 VanDerWaalsContact CE2-CD2 3.49Å; Y258-H262 WeakPolarHBondContact CE2-CD2 3.41Å; Y258-H262 AromaticContact CE2-NE2 3.29Å; Y258-H262 VanDerWaalsContact CE2-NE2 3.29Å; Y258-H262 WeakPolarHBondContact CE2-NE2 3.45Å; Y258-H262 AromaticContact CG-CD2 3.98Å; Y258-H262 AromaticContact CZ-CD2 3.6Å; Y258-H262 AromaticContact CZ-NE2 3.54Å; Y258-H262 WeakPolarHBondContact O-CB 3.44Å; Y258-H262 PolarHBondContact O-CD2 3.05Å; Y258-H262 PolarHBondContact O-N 3.17Å; Y258-E496 HydrophobicContact CD1-CG 3.91Å; Y258-E496 HydrophobicContact CD2-CG 4.26Å; Y258-E496 HydrophobicContact CE1-CG 4.46Å; Y258-E496 HydrophobicContact CG-CB 4.37Å; Y258-E496 HydrophobicContact CG-CG 3.79Å; Y258-F499 HydrophobicContact CD2-CB 3.88Å; Y258-F499 AromaticContact CD2-CD1 3.64Å; Y258-F499 HydrophobicContact CD2-CD1 3.64Å; Y258-F499 HydrophobicContact CD2-CE1 4.42Å; Y258-F499 AromaticContact CD2-CG 3.93Å; Y258-F499 HydrophobicContact CD2-CG 3.93Å; Y258-F499 HydrophobicContact CE2-CB 4.13Å; Y258-F499 HydrophobicContact CE2-CD1 4.32Å; Y258-F499 HydrophobicContact CE2-CG 4.23Å
259V93.2Very high89.6Confident23 Ų2343.1 Ų43.114%0.13921%0.208CC..Hα-helixtrans-61.4-42.6179.8169.30000112.3W255 L256 H262 N263 I268 L273 E276W255-V259 HydrophobicContact CD2-CG2 4.04Å; W255-V259 HydrophobicContact CE3-CG2 4.27Å; W255-V259 HydrophobicContact CH2-CG2 3.79Å; W255-V259 HydrophobicContact CZ2-CG2 3.56Å; W255-V259 HydrophobicContact CZ3-CG2 4.16Å; W255-V259 WeakPolarHBondContact O-CG2 3.37Å; W255-V259 PolarHBondContact O-N 3.38Å; L256-V259 PolarHBondContact O-N 2.53Å; V259-H262 PolarHBondContact O-N 3.27Å; V259-N263 PolarHBondContact O-N 2.83Å; V259-I268 HydrophobicContact CG1-CD1 4.4Å; V259-L273 HydrophobicContact CG1-CD1 3.91Å; V259-E276 HydrophobicContact CG1-CB 3.96Å; V259-E276 HydrophobicContact CG1-CG 3.84Å
260I93.1Very high89.8Confident0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-68.3-44.2-180-60.2161.4000110.9L256 Y258 H262 N263 D266 I268 L273 F306 V315 V317L256-I260 WeakPolarHBondContact O-CD1 3.44Å; L256-I260 WeakPolarHBondContact O-CG1 3.39Å; L256-I260 PolarHBondContact O-N 3.24Å; Y258-I260 PolarHBondContact O-N 3.44Å; I260-H262 VanDerWaalsContact C-N 3.27Å; I260-H262 PolarHBondContact O-N 3.45Å; I260-N263 WeakPolarHBondContact O-CB 3.25Å; I260-N263 PolarHBondContact O-N 3.14Å; I260-D266 WeakPolarHBondContact CG2-O 3.34Å; I260-I268 HydrophobicContact CG1-CG2 3.77Å; I260-I268 HydrophobicContact CG2-CG2 4.4Å; I260-L273 HydrophobicContact CD1-CD2 4.36Å; I260-L273 HydrophobicContact CG1-CD1 4.31Å; I260-F306 HydrophobicContact CD1-CD1 3.97Å; I260-F306 HydrophobicContact CD1-CE1 3.84Å; I260-V315 HydrophobicContact CD1-CG1 3.93Å; I260-V317 HydrophobicContact CB-CG2 3.75Å; I260-V317 HydrophobicContact CD1-CG2 3.7Å; I260-V317 HydrophobicContact CG1-CG2 4.34Å; I260-V317 HydrophobicContact CG2-CG2 3.68Å
261K89.9Confident89.8Confident38 Ų3846.1 Ų46.117%0.16523%0.23CC..Hα-helixtrans-73.1-14.9178.3-71.1-172.2161.51750114.5M257 Y258 N263 D266 F499 I500M257-K261 VanDerWaalsContact O-CB 3.27Å; M257-K261 WeakPolarHBondContact O-CB 3.36Å; M257-K261 WeakPolarHBondContact O-CG 3.48Å; M257-K261 PolarHBondContact O-N 3.4Å; Y258-K261 PolarHBondContact O-N 3.29Å; K261-N263 VanDerWaalsContact C-N 3.34Å; K261-D266 WeakPolarHBondContact CA-OD1 3.35Å; K261-D266 WeakPolarHBondContact CG-OD1 3.28Å; K261-F499 HydrophobicContact CB-CE1 3.85Å; K261-F499 HydrophobicContact CB-CZ 4.29Å; K261-F499 HydrophobicContact CD-CE1 4.35Å; K261-I500 HydrophobicContact CD-CD1 4.39Å
262H87.9Confident89.8Confident111 Ų11152.4 Ų52.451%0.51425%0.253SS..THydrogen-bonded Turntrans-84.3-7.1167.9-90.7-80.1000113.3Y258 V259 I260Y258-H262 AromaticContact CD2-CD2 3.69Å; Y258-H262 AromaticContact CD2-NE2 3.88Å; Y258-H262 AromaticContact CE1-CD2 3.89Å; Y258-H262 AromaticContact CE2-CD2 3.49Å; Y258-H262 VanDerWaalsContact CE2-CD2 3.49Å; Y258-H262 WeakPolarHBondContact CE2-CD2 3.41Å; Y258-H262 AromaticContact CE2-NE2 3.29Å; Y258-H262 VanDerWaalsContact CE2-NE2 3.29Å; Y258-H262 WeakPolarHBondContact CE2-NE2 3.45Å; Y258-H262 AromaticContact CG-CD2 3.98Å; Y258-H262 AromaticContact CZ-CD2 3.6Å; Y258-H262 AromaticContact CZ-NE2 3.54Å; Y258-H262 WeakPolarHBondContact O-CB 3.44Å; Y258-H262 PolarHBondContact O-CD2 3.05Å; Y258-H262 PolarHBondContact O-N 3.17Å; V259-H262 PolarHBondContact O-N 3.27Å; I260-H262 VanDerWaalsContact C-N 3.27Å; I260-H262 PolarHBondContact O-N 3.45Å
263N85.3Confident89.8Confident66 Ų6652.4 Ų52.435%0.35325%0.253SS..SBendtrans-81.6151.2166-16319.4000110.9V259 I260 K261 K265 D266 E267V259-N263 PolarHBondContact O-N 2.83Å; I260-N263 WeakPolarHBondContact O-CB 3.25Å; I260-N263 PolarHBondContact O-N 3.14Å; K261-N263 VanDerWaalsContact C-N 3.34Å; N263-K265 PolarHBondContact O-N 2.89Å; N263-D266 PolarHBondContact O-N 2.64Å; N263-E267 PolarHBondContact ND2-O 3.06Å
264L75.5Confident89.8Confident170 Ų17054.1 Ų54.189%0.8926%0.262SS*.THydrogen-bonded Turntrans-64.38.2-165.8-67.7172.6000117
265K76.1Confident89.6Confident136 Ų13656.1 Ų56.159%0.59128%0.279SS*.THydrogen-bonded Turntrans-152.7-2.9-165.8-80.5-167.4174.9-167.10115.6N263 E267N263-K265 PolarHBondContact O-N 2.89Å; K265-E267 HydrophobicContact CB-CB 4.46Å; K265-E267 HydrophobicContact CB-CG 3.82Å; K265-E267 HydrophobicContact CD-CG 3.8Å; K265-E267 WeakPolarHBondContact CD-OE1 3.23Å; K265-E267 WeakPolarHBondContact CD-OE2 3.45Å; K265-E267 WeakPolarHBondContact CE-OE1 2.9Å; K265-E267 VanDerWaalsContact NZ-CD 3.26Å; K265-E267 IonicContact NZ-OE1 3.02Å; K265-E267 PolarHBondContact NZ-OE1 3.39Å; K265-E267 IonicContact NZ-OE2 2.68Å; K265-E267 PolarHBondContact NZ-OE2 2.75Å; K265-E267 PolarHBondContact O-N 2.7Å; K265-E267 VanDerWaalsContact O-N 3.13Å
266D79.6Confident89.5Confident74 Ų7457.8 Ų57.840%0.39629%0.287SS..SBendtrans59.59.5-166-55.9-45.4000115.5I260 K261 N263I260-D266 WeakPolarHBondContact CG2-O 3.34Å; K261-D266 WeakPolarHBondContact CA-OD1 3.35Å; K261-D266 WeakPolarHBondContact CG-OD1 3.28Å; N263-D266 PolarHBondContact O-N 2.64Å
267E86.9Confident89.4Confident65 Ų6558.1 Ų58.130%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-111.9147.9171.885.5-172-157.800109.8N263 K265 V314 V315 E316N263-E267 PolarHBondContact ND2-O 3.06Å; K265-E267 HydrophobicContact CB-CB 4.46Å; K265-E267 HydrophobicContact CB-CG 3.82Å; K265-E267 HydrophobicContact CD-CG 3.8Å; K265-E267 WeakPolarHBondContact CD-OE1 3.23Å; K265-E267 WeakPolarHBondContact CD-OE2 3.45Å; K265-E267 WeakPolarHBondContact CE-OE1 2.9Å; K265-E267 VanDerWaalsContact NZ-CD 3.26Å; K265-E267 IonicContact NZ-OE1 3.02Å; K265-E267 PolarHBondContact NZ-OE1 3.39Å; K265-E267 IonicContact NZ-OE2 2.68Å; K265-E267 PolarHBondContact NZ-OE2 2.75Å; K265-E267 PolarHBondContact O-N 2.7Å; K265-E267 VanDerWaalsContact O-N 3.13Å; E267-V314 HydrophobicContact CB-CG1 3.96Å; E267-V314 HydrophobicContact CG-CG1 4.44Å; E267-V315 CarbonylContact C-O 3.54Å; E267-V315 WeakPolarHBondContact CA-O 3.19Å; E267-E316 HydrophobicContact CB-CG 4.16Å
268I92.2Very high89.1Confident8 Ų860.7 Ų60.74%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-145.9145.5169.6-159.2169.9000112.1V259 I260 R272 L273 V314 V315V259-I268 HydrophobicContact CG1-CD1 4.4Å; I260-I268 HydrophobicContact CG1-CG2 3.77Å; I260-I268 HydrophobicContact CG2-CG2 4.4Å; I268-R272 HydrophobicContact CD1-CB 4.36Å; I268-R272 HydrophobicContact CD1-CG 4Å; I268-R272 HydrophobicContact CG1-CB 4.15Å; I268-R272 HydrophobicContact CG1-CG 4.2Å; I268-L273 HydrophobicContact CD1-CB 4.49Å; I268-L273 HydrophobicContact CG2-CB 4.02Å; I268-L273 HydrophobicContact CG2-CD1 4.32Å; I268-L273 HydrophobicContact CG2-CD2 4.04Å; I268-L273 HydrophobicContact CG2-CG 4.36Å; I268-V314 CarbonylContact O-C 3.48Å; I268-V314 WeakPolarHBondContact O-CA 3.35Å; I268-V315 HydrophobicContact CG2-CB 4.18Å; I268-V315 PolarHBondContact N-O 2.54Å; I268-V315 PolarHBondContact O-N 2.76Å
269M92.7Very high88.9Confident113 Ų11365 Ų6556%0.55733%0.329SS*.EExtended strand (participates in β ladder)trans-70.4136.4169.4-71.3-175.1-69.600110.7S271 R272 L273 S313 V314M269-S271 PolarHBondContact O-N 3.17Å; M269-R272 WeakPolarHBondContact O-CA 3.43Å; M269-R272 WeakPolarHBondContact O-CB 3.1Å; M269-R272 PolarHBondContact O-N 3Å; M269-L273 PolarHBondContact O-N 3.4Å; M269-S313 CarbonylContact C-O 3.6Å; M269-S313 WeakPolarHBondContact CA-O 3.18Å; M269-V314 HydrophobicContact CG-CG2 4.32Å
270I91.9Very high88.7Confident5 Ų564 Ų643%0.02632%0.324CS..Hα-helixtrans-59.2-32.5-178.5-162.3170.1000112.6R272 L273 L274 Q292 L295 S296 S313 V315I270-R272 VanDerWaalsContact C-N 3.34Å; I270-R272 PolarHBondContact O-N 2.97Å; I270-L273 PolarHBondContact O-N 3.38Å; I270-L274 WeakPolarHBondContact O-CG 3.17Å; I270-L274 PolarHBondContact O-N 3.46Å; I270-Q292 HydrophobicContact CD1-CG 4.02Å; I270-Q292 HydrophobicContact CG1-CG 4.43Å; I270-L295 HydrophobicContact CD1-CD2 4.42Å; I270-L295 HydrophobicContact CG1-CD2 3.79Å; I270-L295 HydrophobicContact CG1-CG 4.43Å; I270-S296 VanDerWaalsContact CD1-OG 3.27Å; I270-S296 WeakPolarHBondContact CD1-OG 3.38Å; I270-S313 PolarHBondContact N-O 3.27Å; I270-V315 HydrophobicContact CB-CG2 4.24Å; I270-V315 HydrophobicContact CG1-CG2 4.39Å
271S90.8Very high88.7Confident72 Ų7265.8 Ų65.850%0.50334%0.335SS..Hα-helixtrans-65.6-33.4174.255.10000113.1M269 A275M269-S271 PolarHBondContact O-N 3.17Å; S271-A275 PolarHBondContact O-N 3.04Å
272R92.3Very high88.3Confident140 Ų14068.5 Ų68.553%0.52835%0.352SS..Hα-helixtrans-75.6-41.3171.5-177.865.2-168.7-164.68.4110.8I268 M269 I270 L274 A275 E276I268-R272 HydrophobicContact CD1-CB 4.36Å; I268-R272 HydrophobicContact CD1-CG 4Å; I268-R272 HydrophobicContact CG1-CB 4.15Å; I268-R272 HydrophobicContact CG1-CG 4.2Å; M269-R272 WeakPolarHBondContact O-CA 3.43Å; M269-R272 WeakPolarHBondContact O-CB 3.1Å; M269-R272 PolarHBondContact O-N 3Å; I270-R272 VanDerWaalsContact C-N 3.34Å; I270-R272 PolarHBondContact O-N 2.97Å; R272-L274 VanDerWaalsContact C-N 3.27Å; R272-L274 PolarHBondContact O-N 3.37Å; R272-A275 WeakPolarHBondContact O-CA 3.2Å; R272-A275 WeakPolarHBondContact O-CB 3.39Å; R272-A275 PolarHBondContact O-N 3.34Å; R272-E276 IonicContact CZ-OE1 3.7Å; R272-E276 IonicContact NE-OE1 3.68Å; R272-E276 PolarHBondContact NE-OE1 3.42Å; R272-E276 IonicContact NH2-OE1 2.72Å; R272-E276 PolarHBondContact NH2-OE1 3.25Å; R272-E276 IonicContact NH2-OE2 3.63Å; R272-E276 PolarHBondContact O-N 3.27Å
273L93.3Very high88.1Confident0 Ų064.3 Ų64.30%034%0.335CS..Hα-helixtrans-60.3-35.8177.7-170.456.3000112.2L256 V259 I260 I268 M269 I270 E276 L277 L295 L299 V315L256-L273 HydrophobicContact CD2-CD1 3.97Å; L256-L273 HydrophobicContact CD2-CD2 4.1Å; L256-L273 HydrophobicContact CD2-CG 4.2Å; V259-L273 HydrophobicContact CG1-CD1 3.91Å; I260-L273 HydrophobicContact CD1-CD2 4.36Å; I260-L273 HydrophobicContact CG1-CD1 4.31Å; I268-L273 HydrophobicContact CD1-CB 4.49Å; I268-L273 HydrophobicContact CG2-CB 4.02Å; I268-L273 HydrophobicContact CG2-CD1 4.32Å; I268-L273 HydrophobicContact CG2-CD2 4.04Å; I268-L273 HydrophobicContact CG2-CG 4.36Å; M269-L273 PolarHBondContact O-N 3.4Å; I270-L273 PolarHBondContact O-N 3.38Å; L273-E276 PolarHBondContact O-N 2.9Å; L273-L277 VanDerWaalsContact O-CB 3.3Å; L273-L277 WeakPolarHBondContact O-CB 3.22Å; L273-L277 PolarHBondContact O-N 3.27Å; L273-L295 HydrophobicContact CB-CD2 4.28Å; L273-L295 HydrophobicContact CD2-CD1 4.33Å; L273-L295 HydrophobicContact CD2-CD2 4.14Å; L273-L295 HydrophobicContact CG-CD2 4.05Å; L273-L299 HydrophobicContact CD2-CD1 4.24Å; L273-V315 HydrophobicContact CD2-CB 4.38Å; L273-V315 HydrophobicContact CD2-CG1 4.42Å; L273-V315 HydrophobicContact CD2-CG2 4.17Å
274L92Very high88.3Confident36 Ų3661.2 Ų61.219%0.18832%0.318CS..Hα-helixtrans-65.3-37.2170.2-72.7162.9000113.2I270 R272 L277 S278 Q292 L295I270-L274 WeakPolarHBondContact O-CG 3.17Å; I270-L274 PolarHBondContact O-N 3.46Å; R272-L274 VanDerWaalsContact C-N 3.27Å; R272-L274 PolarHBondContact O-N 3.37Å; L274-L277 HydrophobicContact CD2-CD2 4.37Å; L274-L277 PolarHBondContact O-N 3.41Å; L274-S278 PolarHBondContact O-N 2.98Å; L274-S278 VanDerWaalsContact O-N 3.12Å; L274-Q292 HydrophobicContact CD1-CB 3.63Å; L274-Q292 HydrophobicContact CD1-CG 3.92Å; L274-L295 HydrophobicContact CD2-CB 4.08Å; L274-L295 HydrophobicContact CD2-CD2 3.63Å; L274-L295 HydrophobicContact CG-CD2 3.68Å
275A91.8Very high88.8Confident43 Ų4355.6 Ų55.636%0.35529%0.285SS..Hα-helixtrans-67.4-39.7175.500000111.6S271 R272 S278 H279S271-A275 PolarHBondContact O-N 3.04Å; R272-A275 WeakPolarHBondContact O-CA 3.2Å; R272-A275 WeakPolarHBondContact O-CB 3.39Å; R272-A275 PolarHBondContact O-N 3.34Å; A275-S278 PolarHBondContact O-OG 3.02Å; A275-H279 PolarHBondContact O-ND1 3.08Å
276E92.8Very high89Confident52 Ų5254.8 Ų54.824%0.24329%0.287CS..Hα-helixtrans-65.6-41.1170.5-54.3-56.6169.700111.4W255 V259 R272 L273 S278 H279 A280W255-E276 HydrophobicContact CH2-CB 3.87Å; W255-E276 HydrophobicContact CZ2-CB 4.38Å; V259-E276 HydrophobicContact CG1-CB 3.96Å; V259-E276 HydrophobicContact CG1-CG 3.84Å; R272-E276 IonicContact CZ-OE1 3.7Å; R272-E276 IonicContact NE-OE1 3.68Å; R272-E276 PolarHBondContact NE-OE1 3.42Å; R272-E276 IonicContact NH2-OE1 2.72Å; R272-E276 PolarHBondContact NH2-OE1 3.25Å; R272-E276 IonicContact NH2-OE2 3.63Å; R272-E276 PolarHBondContact O-N 3.27Å; L273-E276 PolarHBondContact O-N 2.9Å; E276-S278 PolarHBondContact O-N 2.88Å; E276-H279 WeakPolarHBondContact O-CA 3.37Å; E276-H279 WeakPolarHBondContact O-CB 3.46Å; E276-H279 PolarHBondContact O-N 2.77Å; E276-A280 PolarHBondContact O-N 3.21Å
277L92Very high89.2Confident6 Ų652.5 Ų52.53%0.03128%0.277CS..Hα-helixtrans-59.6-32.2-179.5-177.262.3000111.9W255 L273 L274 H279 A280 V284 R285 I288W255-L277 HydrophobicContact CH2-CB 4.34Å; W255-L277 HydrophobicContact CH2-CD1 4.48Å; W255-L277 HydrophobicContact CZ3-CB 4.41Å; W255-L277 HydrophobicContact CZ3-CD1 4.02Å; L273-L277 VanDerWaalsContact O-CB 3.3Å; L273-L277 WeakPolarHBondContact O-CB 3.22Å; L273-L277 PolarHBondContact O-N 3.27Å; L274-L277 HydrophobicContact CD2-CD2 4.37Å; L274-L277 PolarHBondContact O-N 3.41Å; L277-H279 PolarHBondContact O-N 2.78Å; L277-H279 VanDerWaalsContact O-N 3.14Å; L277-A280 HydrophobicContact CD1-CB 4.02Å; L277-A280 VanDerWaalsContact O-CB 3.32Å; L277-A280 WeakPolarHBondContact O-CB 3.47Å; L277-A280 PolarHBondContact O-N 2.95Å; L277-V284 HydrophobicContact CD1-CG1 4.06Å; L277-R285 HydrophobicContact CD1-CG 4.4Å; L277-R285 VanDerWaalsContact O-CD 3.22Å; L277-R285 WeakPolarHBondContact O-CD 3.35Å; L277-R285 WeakPolarHBondContact O-CG 3.42Å; L277-I288 HydrophobicContact CD1-CB 4.46Å; L277-I288 HydrophobicContact CD1-CD1 3.81Å; L277-I288 HydrophobicContact CD2-CB 4.45Å; L277-I288 HydrophobicContact CD2-CG2 3.86Å
278S88.5Confident89Confident55 Ų5549.8 Ų49.839%0.38526%0.264SS..THydrogen-bonded Turntrans-60.7-20.417376.90000114.1L274 A275 E276 R285L274-S278 PolarHBondContact O-N 2.98Å; L274-S278 VanDerWaalsContact O-N 3.12Å; A275-S278 PolarHBondContact O-OG 3.02Å; E276-S278 PolarHBondContact O-N 2.88Å; S278-R285 PolarHBondContact O-NH1 3.44Å
279H88.8Confident88.3Confident151 Ų15149.9 Ų49.970%0.69927%0.267SS*.THydrogen-bonded Turntrans-102.5-0.7176.5-57.988.9000113.7A275 E276 L277A275-H279 PolarHBondContact O-ND1 3.08Å; E276-H279 WeakPolarHBondContact O-CA 3.37Å; E276-H279 WeakPolarHBondContact O-CB 3.46Å; E276-H279 PolarHBondContact O-N 2.77Å; L277-H279 PolarHBondContact O-N 2.78Å; L277-H279 VanDerWaalsContact O-N 3.14Å
280A90.6Very high87.6Confident4 Ų451.8 Ų51.83%0.03327%0.268CS..SBendtrans-69.8159.9-178.400000113W255 E276 L277 V284 R285W255-A280 HydrophobicContact CD2-CB 3.97Å; W255-A280 HydrophobicContact CE3-CB 4.28Å; W255-A280 HydrophobicContact CH2-CB 3.84Å; W255-A280 HydrophobicContact CZ2-CB 3.44Å; W255-A280 VanDerWaalsContact CZ2-CB 3.44Å; W255-A280 HydrophobicContact CZ3-CB 4.22Å; E276-A280 PolarHBondContact O-N 3.21Å; L277-A280 HydrophobicContact CD1-CB 4.02Å; L277-A280 VanDerWaalsContact O-CB 3.32Å; L277-A280 WeakPolarHBondContact O-CB 3.47Å; L277-A280 PolarHBondContact O-N 2.95Å; A280-V284 HydrophobicContact CB-CB 4.08Å; A280-V284 HydrophobicContact CB-CG1 3.89Å; A280-R285 HydrophobicContact CB-CG 3.88Å; A280-R285 WeakPolarHBondContact O-CD 3.37Å; A280-R285 PolarHBondContact O-NE 2.61Å
281P91.1Very high87Confident37 Ų3753.6 Ų53.624%0.2428%0.28CS..  trans-55.2151.5171-24.834.4000112.8S283 V284 R285 M493P281-S283 VanDerWaalsContact C-N 3.29Å; P281-S283 PolarHBondContact O-N 2.82Å; P281-V284 HydrophobicContact CB-CG2 4.31Å; P281-V284 HydrophobicContact CG-CG2 4.34Å; P281-V284 WeakPolarHBondContact O-CB 3.21Å; P281-V284 PolarHBondContact O-N 2.69Å; P281-R285 PolarHBondContact O-N 3.34Å; P281-M493 HydrophobicContact CB-SD 4.39Å; P281-M493 HydrophobicContact CG-CG 4.06Å; P281-M493 HydrophobicContact CG-SD 4.19Å
282D82.4Confident86.6Confident95 Ų9554.1 Ų54.151%0.50827%0.274SS..Hα-helixtrans-61.3-34.1-177.5-79.7-41.4000113.4V284 R285 N286D282-V284 VanDerWaalsContact C-N 3.33Å; D282-V284 PolarHBondContact O-N 3.3Å; D282-R285 PolarHBondContact O-N 2.97Å; D282-R285 IonicContact OD1-CZ 3.69Å; D282-R285 IonicContact OD1-NE 2.71Å; D282-R285 PolarHBondContact OD1-NE 3.22Å; D282-R285 IonicContact OD1-NH2 2.68Å; D282-R285 PolarHBondContact OD1-NH2 2.58Å; D282-R285 IonicContact OD2-NH2 3.66Å; D282-N286 WeakPolarHBondContact O-CB 3.3Å; D282-N286 PolarHBondContact O-N 3.3Å; D282-N286 PolarHBondContact O-ND2 3.49Å
283S84.2Confident85.6Confident23 Ų2350.8 Ų50.816%0.16127%0.266CS..Hα-helixtrans-60.6-41.8173.351.70000112P281 C287 D491P281-S283 VanDerWaalsContact C-N 3.29Å; P281-S283 PolarHBondContact O-N 2.82Å; S283-C287 WeakPolarHBondContact O-CB 3.37Å; S283-C287 PolarHBondContact O-N 2.91Å; S283-D491 WeakPolarHBondContact CB-OD2 3.49Å; S283-D491 VanDerWaalsContact OG-CG 3.3Å; S283-D491 PolarHBondContact OG-OD2 3.29Å
284V89Confident85Confident0 Ų054.9 Ų54.90%029%0.285CS..Hα-helixtrans-66.8-47.8175.9178.20000111.5A252 W255 L277 A280 P281 D282 N286 C287 I288 M493A252-V284 HydrophobicContact CB-CG1 4.39Å; W255-V284 HydrophobicContact CB-CG1 4.17Å; W255-V284 HydrophobicContact CB-CG2 3.85Å; W255-V284 HydrophobicContact CD2-CG1 3.91Å; W255-V284 HydrophobicContact CE3-CG1 3.75Å; W255-V284 HydrophobicContact CG-CG1 4.08Å; W255-V284 HydrophobicContact CG-CG2 4.05Å; L277-V284 HydrophobicContact CD1-CG1 4.06Å; A280-V284 HydrophobicContact CB-CB 4.08Å; A280-V284 HydrophobicContact CB-CG1 3.89Å; P281-V284 HydrophobicContact CB-CG2 4.31Å; P281-V284 HydrophobicContact CG-CG2 4.34Å; P281-V284 WeakPolarHBondContact O-CB 3.21Å; P281-V284 PolarHBondContact O-N 2.69Å; D282-V284 VanDerWaalsContact C-N 3.33Å; D282-V284 PolarHBondContact O-N 3.3Å; V284-N286 PolarHBondContact O-N 3.12Å; V284-C287 PolarHBondContact O-N 3.31Å; V284-I288 HydrophobicContact CG1-CD1 3.68Å; V284-I288 HydrophobicContact CG1-CG1 4.5Å; V284-I288 WeakPolarHBondContact O-CG1 3.17Å; V284-I288 PolarHBondContact O-N 2.95Å; V284-M493 HydrophobicContact CG2-CE 3.6Å; V284-M493 HydrophobicContact CG2-SD 3.93Å
285R87Confident84.7Confident53 Ų5353.1 Ų53.120%0.228%0.276CS..Hα-helixtrans-64.7-40.3-179.8-62-168.6-62.8-156.4-3.2112.5L277 S278 A280 P281 D282 G289 W290L277-R285 HydrophobicContact CD1-CG 4.4Å; L277-R285 VanDerWaalsContact O-CD 3.22Å; L277-R285 WeakPolarHBondContact O-CD 3.35Å; L277-R285 WeakPolarHBondContact O-CG 3.42Å; S278-R285 PolarHBondContact O-NH1 3.44Å; A280-R285 HydrophobicContact CB-CG 3.88Å; A280-R285 WeakPolarHBondContact O-CD 3.37Å; A280-R285 PolarHBondContact O-NE 2.61Å; P281-R285 PolarHBondContact O-N 3.34Å; D282-R285 PolarHBondContact O-N 2.97Å; D282-R285 IonicContact OD1-CZ 3.69Å; D282-R285 IonicContact OD1-NE 2.71Å; D282-R285 PolarHBondContact OD1-NE 3.22Å; D282-R285 IonicContact OD1-NH2 2.68Å; D282-R285 PolarHBondContact OD1-NH2 2.58Å; D282-R285 IonicContact OD2-NH2 3.66Å; R285-G289 WeakPolarHBondContact O-CA 3.38Å; R285-G289 PolarHBondContact O-N 3.24Å; R285-W290 HydrophobicContact CB-CZ2 4.04Å
286N80Confident84.3Confident118 Ų11852 Ų5263%0.63127%0.266SS*.Hα-helixtrans-73.6-26.6177.7-67.5-38.3000113D282 V284D282-N286 WeakPolarHBondContact O-CB 3.3Å; D282-N286 PolarHBondContact O-N 3.3Å; D282-N286 PolarHBondContact O-ND2 3.49Å; V284-N286 PolarHBondContact O-N 3.12Å
287C82.8Confident83.7Confident26 Ų2654.9 Ų54.918%0.17628%0.279CS..Hα-helixtrans-76.8-45175.5176.80000112.5D248 A252 S283 V284D248-C287 VanDerWaalsContact C-SG 3.54Å; D248-C287 HydrophobicContact CB-CB 4.43Å; D248-C287 PolarHBondContact O-SG 3.39Å; A252-C287 HydrophobicContact CB-CB 4.11Å; S283-C287 WeakPolarHBondContact O-CB 3.37Å; S283-C287 PolarHBondContact O-N 2.91Å; V284-C287 PolarHBondContact O-N 3.31Å
288I83.9Confident83.3Confident8 Ų855.1 Ų55.14%0.04128%0.28CS..Hα-helixtrans-81.1-42.6-176.9-64172.1000111.9A252 L256 L277 V284 E294 L295 F298A252-I288 HydrophobicContact CB-CD1 3.97Å; A252-I288 HydrophobicContact CB-CG1 3.77Å; L256-I288 HydrophobicContact CD1-CD1 3.74Å; L256-I288 HydrophobicContact CD2-CD1 4.03Å; L256-I288 HydrophobicContact CG-CD1 3.84Å; L277-I288 HydrophobicContact CD1-CB 4.46Å; L277-I288 HydrophobicContact CD1-CD1 3.81Å; L277-I288 HydrophobicContact CD2-CB 4.45Å; L277-I288 HydrophobicContact CD2-CG2 3.86Å; V284-I288 HydrophobicContact CG1-CD1 3.68Å; V284-I288 HydrophobicContact CG1-CG1 4.5Å; V284-I288 WeakPolarHBondContact O-CG1 3.17Å; V284-I288 PolarHBondContact O-N 2.95Å; I288-E294 WeakPolarHBondContact O-CB 3.18Å; I288-L295 HydrophobicContact CG2-CB 4.16Å; I288-L295 HydrophobicContact CG2-CD1 3.85Å; I288-F298 HydrophobicContact CG1-CD1 4.15Å; I288-F298 HydrophobicContact CG1-CD2 4.16Å; I288-F298 HydrophobicContact CG1-CE1 4.29Å; I288-F298 HydrophobicContact CG1-CE2 4.29Å; I288-F298 HydrophobicContact CG1-CG 4.1Å; I288-F298 HydrophobicContact CG1-CZ 4.37Å; I288-F298 HydrophobicContact CG2-CB 4.28Å; I288-F298 HydrophobicContact CG2-CG 4.45Å
289G75.9Confident83.3Confident10 Ų1052.5 Ų52.510%0.10326%0.262CS..  trans104.3-173.8-165.800000112.8R285R285-G289 WeakPolarHBondContact O-CA 3.38Å; R285-G289 PolarHBondContact O-N 3.24Å
290W77.7Confident83.1Confident153 Ų15349.2 Ų49.258%0.5825%0.245SC*.SBendtrans-119.5-12.5-171.6-69.385.4000114R285 E294R285-W290 HydrophobicContact CB-CZ2 4.04Å; W290-E294 PolarHBondContact N-OE2 3.45Å
291T79.4Confident82.8Confident43 Ų4354.1 Ų54.126%0.26427%0.266SS..SBendtrans-101.2161.1-176.9650000112.8I293 E294 L295T291-I293 PolarHBondContact O-N 3.48Å; T291-E294 WeakPolarHBondContact CB-OE2 3.29Å; T291-E294 WeakPolarHBondContact CG2-OE2 3.27Å; T291-E294 PolarHBondContact N-OE2 3.09Å; T291-E294 PolarHBondContact O-N 2.89Å; T291-E294 WeakPolarHBondContact OG1-CG 3.28Å; T291-E294 PolarHBondContact OG1-N 3.48Å; T291-E294 PolarHBondContact OG1-OE2 3.1Å; T291-L295 PolarHBondContact O-N 2.97Å; T291-L295 VanDerWaalsContact O-N 3.12Å
292Q83.1Confident82.6Confident83 Ų8353.2 Ų53.239%0.38826%0.258SS..Hα-helixtrans-60.9-31.7172.1-173.7169.2-17.200112.3I270 L274 S296I270-Q292 HydrophobicContact CD1-CG 4.02Å; I270-Q292 HydrophobicContact CG1-CG 4.43Å; L274-Q292 HydrophobicContact CD1-CB 3.63Å; L274-Q292 HydrophobicContact CD1-CG 3.92Å; Q292-S296 VanDerWaalsContact O-CB 3.29Å; Q292-S296 WeakPolarHBondContact O-CB 3.48Å; Q292-S296 PolarHBondContact O-N 3.43Å; Q292-S296 PolarHBondContact O-OG 3.32Å
293I72.5Confident82.9Confident70 Ų7053.8 Ų53.836%0.35926%0.261SS..Hα-helixtrans-65.6-52.2177.7-49.4176.7000109.7E11 Q15 T291 L295 S296 E297E11-I293 HydrophobicContact CG-CD1 4.37Å; Q15-I293 HydrophobicContact CG-CD1 3.81Å; Q15-I293 HydrophobicContact CG-CG1 4.45Å; T291-I293 PolarHBondContact O-N 3.48Å; I293-L295 PolarHBondContact O-N 3.39Å; I293-S296 WeakPolarHBondContact O-CB 3.2Å; I293-S296 PolarHBondContact O-N 2.92Å; I293-S296 VanDerWaalsContact O-N 3.13Å; I293-E297 HydrophobicContact CG2-CG 4.44Å; I293-E297 WeakPolarHBondContact O-CG 3.39Å; I293-E297 PolarHBondContact O-N 3.2Å
294E80.1Confident83Confident86 Ų8656.6 Ų56.640%0.40227%0.268SS..Hα-helixtrans-61.8-44.4-177.6-67.416113800111.6I288 W290 T291 S296 E297 F298I288-E294 WeakPolarHBondContact O-CB 3.18Å; W290-E294 PolarHBondContact N-OE2 3.45Å; T291-E294 WeakPolarHBondContact CB-OE2 3.29Å; T291-E294 WeakPolarHBondContact CG2-OE2 3.27Å; T291-E294 PolarHBondContact N-OE2 3.09Å; T291-E294 PolarHBondContact O-N 2.89Å; T291-E294 WeakPolarHBondContact OG1-CG 3.28Å; T291-E294 PolarHBondContact OG1-N 3.48Å; T291-E294 PolarHBondContact OG1-OE2 3.1Å; E294-S296 PolarHBondContact O-N 2.73Å; E294-E297 PolarHBondContact O-N 3.1Å; E294-F298 WeakPolarHBondContact O-CB 3.39Å; E294-F298 PolarHBondContact O-N 3.05Å
295L85.7Confident83.2Confident0 Ų056.6 Ų56.60%027%0.268CS..Hα-helixtrans-60.5-43172.5176.863.9000112.2L256 I270 L273 L274 I288 T291 I293 F298 L299L256-L295 HydrophobicContact CD2-CD1 4Å; I270-L295 HydrophobicContact CD1-CD2 4.42Å; I270-L295 HydrophobicContact CG1-CD2 3.79Å; I270-L295 HydrophobicContact CG1-CG 4.43Å; L273-L295 HydrophobicContact CB-CD2 4.28Å; L273-L295 HydrophobicContact CD2-CD1 4.33Å; L273-L295 HydrophobicContact CD2-CD2 4.14Å; L273-L295 HydrophobicContact CG-CD2 4.05Å; L274-L295 HydrophobicContact CD2-CB 4.08Å; L274-L295 HydrophobicContact CD2-CD2 3.63Å; L274-L295 HydrophobicContact CG-CD2 3.68Å; I288-L295 HydrophobicContact CG2-CB 4.16Å; I288-L295 HydrophobicContact CG2-CD1 3.85Å; T291-L295 PolarHBondContact O-N 2.97Å; T291-L295 VanDerWaalsContact O-N 3.12Å; I293-L295 PolarHBondContact O-N 3.39Å; L295-F298 PolarHBondContact O-N 3.26Å; L295-L299 HydrophobicContact CD1-CD1 3.98Å; L295-L299 HydrophobicContact CD1-CG 4.11Å; L295-L299 HydrophobicContact CG-CD1 3.93Å; L295-L299 HydrophobicContact CG-CG 4.49Å; L295-L299 VanDerWaalsContact O-CG 3.25Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.48Å
296S83Confident83.5Confident20 Ų2054.3 Ų54.314%0.1426%0.259CS..Hα-helixtrans-62.8-44.7178.8-59.70000111.6I270 Q292 I293 E294 L299 K300I270-S296 VanDerWaalsContact CD1-OG 3.27Å; I270-S296 WeakPolarHBondContact CD1-OG 3.38Å; Q292-S296 VanDerWaalsContact O-CB 3.29Å; Q292-S296 WeakPolarHBondContact O-CB 3.48Å; Q292-S296 PolarHBondContact O-N 3.43Å; Q292-S296 PolarHBondContact O-OG 3.32Å; I293-S296 WeakPolarHBondContact O-CB 3.2Å; I293-S296 PolarHBondContact O-N 2.92Å; I293-S296 VanDerWaalsContact O-N 3.13Å; E294-S296 PolarHBondContact O-N 2.73Å; S296-L299 PolarHBondContact O-N 2.96Å; S296-K300 WeakPolarHBondContact O-CB 3.13Å; S296-K300 WeakPolarHBondContact O-CD 3.19Å; S296-K300 WeakPolarHBondContact O-CG 3.42Å; S296-K300 PolarHBondContact O-N 3.23Å
297E79.7Confident84Confident111 Ų11151.2 Ų51.252%0.51925%0.245SC..Hα-helixtrans-67.5-37.3177.7-68.3-62.811000111.8I293 E294 K300 K301I293-E297 HydrophobicContact CG2-CG 4.44Å; I293-E297 WeakPolarHBondContact O-CG 3.39Å; I293-E297 PolarHBondContact O-N 3.2Å; E294-E297 PolarHBondContact O-N 3.1Å; E297-K300 PolarHBondContact O-N 2.92Å; E297-K300 IonicContact OE1-NZ 2.8Å; E297-K301 VanDerWaalsContact O-CB 3.27Å; E297-K301 WeakPolarHBondContact O-CB 3.47Å; E297-K301 PolarHBondContact O-N 3.22Å
298F84.1Confident84.4Confident11 Ų1151.6 Ų51.65%0.04825%0.247CC..Hα-helixtrans-64.2-42.5174.2-169.5-82.3000112.3D249 A252 L253 L256 I288 E294 L295 K301 Y302D249-F298 WeakPolarHBondContact OD1-CE2 3.34Å; A252-F298 HydrophobicContact CB-CE1 4.08Å; A252-F298 HydrophobicContact CB-CE2 4.24Å; A252-F298 HydrophobicContact CB-CZ 3.58Å; L253-F298 HydrophobicContact CD2-CE1 4.28Å; L253-F298 HydrophobicContact CG-CE1 4.4Å; L256-F298 HydrophobicContact CD1-CD1 3.73Å; L256-F298 HydrophobicContact CD1-CE1 3.71Å; I288-F298 HydrophobicContact CG1-CD1 4.15Å; I288-F298 HydrophobicContact CG1-CD2 4.16Å; I288-F298 HydrophobicContact CG1-CE1 4.29Å; I288-F298 HydrophobicContact CG1-CE2 4.29Å; I288-F298 HydrophobicContact CG1-CG 4.1Å; I288-F298 HydrophobicContact CG1-CZ 4.37Å; I288-F298 HydrophobicContact CG2-CB 4.28Å; I288-F298 HydrophobicContact CG2-CG 4.45Å; E294-F298 WeakPolarHBondContact O-CB 3.39Å; E294-F298 PolarHBondContact O-N 3.05Å; L295-F298 PolarHBondContact O-N 3.26Å; F298-K301 WeakPolarHBondContact O-CB 3.39Å; F298-Y302 HydrophobicContact CD1-CD2 4.28Å; F298-Y302 AromaticContact CE1-CD2 3.86Å; F298-Y302 HydrophobicContact CE1-CD2 3.86Å; F298-Y302 HydrophobicContact CE1-CE2 4.03Å; F298-Y302 HydrophobicContact CE2-CE2 4.16Å; F298-Y302 HydrophobicContact CZ-CD2 4.08Å; F298-Y302 AromaticContact CZ-CE2 3.75Å; F298-Y302 HydrophobicContact CZ-CE2 3.75Å; F298-Y302 WeakPolarHBondContact O-CD2 3.47Å
299L88.7Confident84.7Confident1 Ų154.7 Ų54.71%0.00526%0.263CS..Hα-helixtrans-65.8-44.3175.6-68.1166.4000111.2L256 L273 L295 S296 K301 Y302 N303 F306 V308 V315L256-L299 HydrophobicContact CD1-CD2 4.08Å; L273-L299 HydrophobicContact CD2-CD1 4.24Å; L295-L299 HydrophobicContact CD1-CD1 3.98Å; L295-L299 HydrophobicContact CD1-CG 4.11Å; L295-L299 HydrophobicContact CG-CD1 3.93Å; L295-L299 HydrophobicContact CG-CG 4.49Å; L295-L299 VanDerWaalsContact O-CG 3.25Å; L295-L299 WeakPolarHBondContact O-CG 3.45Å; L295-L299 PolarHBondContact O-N 3.48Å; S296-L299 PolarHBondContact O-N 2.96Å; L299-K301 PolarHBondContact O-N 3.19Å; L299-Y302 CarbonylContact O-C 3.22Å; L299-Y302 WeakPolarHBondContact O-CA 3.37Å; L299-Y302 PolarHBondContact O-N 2.72Å; L299-N303 PolarHBondContact O-N 2.96Å; L299-F306 HydrophobicContact CB-CD2 4.45Å; L299-F306 HydrophobicContact CD2-CB 4.17Å; L299-F306 HydrophobicContact CD2-CD1 3.93Å; L299-F306 HydrophobicContact CD2-CD2 3.54Å; L299-F306 HydrophobicContact CD2-CE1 4.16Å; L299-F306 HydrophobicContact CD2-CE2 3.76Å; L299-F306 HydrophobicContact CD2-CG 3.61Å; L299-F306 HydrophobicContact CD2-CZ 4.08Å; L299-V308 HydrophobicContact CB-CG2 3.65Å; L299-V308 HydrophobicContact CD1-CG2 4.05Å; L299-V308 HydrophobicContact CG-CG2 4.46Å; L299-V315 HydrophobicContact CD1-CB 4.42Å; L299-V315 HydrophobicContact CD1-CG1 3.83Å; L299-V315 HydrophobicContact CD1-CG2 3.67Å; L299-V315 HydrophobicContact CD2-CG1 3.9Å; L299-V315 HydrophobicContact CG-CG1 4.45Å
300K85Confident85.1Confident81 Ų8160.7 Ų60.735%0.35229%0.288SS..Hα-helixtrans-62.6-38.2176.7-74.3168.4177.9-177.30113.3S296 E297 Y302 N303 E310S296-K300 WeakPolarHBondContact O-CB 3.13Å; S296-K300 WeakPolarHBondContact O-CD 3.19Å; S296-K300 WeakPolarHBondContact O-CG 3.42Å; S296-K300 PolarHBondContact O-N 3.23Å; E297-K300 PolarHBondContact O-N 2.92Å; E297-K300 IonicContact OE1-NZ 2.8Å; K300-Y302 PolarHBondContact O-N 2.97Å; K300-Y302 VanDerWaalsContact O-N 3.15Å; K300-N303 WeakPolarHBondContact O-CB 3.26Å; K300-N303 PolarHBondContact O-N 2.88Å; K300-E310 WeakPolarHBondContact CE-OE1 3.4Å; K300-E310 IonicContact NZ-OE1 2.71Å; K300-E310 PolarHBondContact NZ-OE1 2.98Å
301K83.3Confident85.5Confident108 Ų10860.1 Ų60.147%0.4730%0.302SS..Hα-helixtrans-55.1-27171.7175.4-170.5173.4-161.50112D249 E297 F298 L299D249-K301 IonicContact OD1-NZ 3.27Å; D249-K301 PolarHBondContact OD1-NZ 2.83Å; D249-K301 IonicContact OD2-NZ 3.73Å; D249-K301 PolarHBondContact OD2-NZ 3.27Å; E297-K301 VanDerWaalsContact O-CB 3.27Å; E297-K301 WeakPolarHBondContact O-CB 3.47Å; E297-K301 PolarHBondContact O-N 3.22Å; F298-K301 WeakPolarHBondContact O-CB 3.39Å; L299-K301 PolarHBondContact O-N 3.19Å
302Y87.6Confident85.9Confident17 Ų1760.6 Ų60.67%0.06731%0.31CS..THydrogen-bonded Turntrans-117.944178.9-64.9-63000113.3I243 V245 D249 L253 F298 L299 K300 R304 I305 F306I243-Y302 HydrophobicContact CG2-CE1 4.48Å; V245-Y302 HydrophobicContact CG1-CE1 3.62Å; D249-Y302 HydrophobicContact CB-CE2 4.39Å; D249-Y302 WeakPolarHBondContact CB-OH 3.22Å; D249-Y302 VanDerWaalsContact CG-OH 3.26Å; D249-Y302 PolarHBondContact OD2-OH 2.99Å; L253-Y302 HydrophobicContact CD1-CD1 4.21Å; L253-Y302 HydrophobicContact CD1-CD2 4.29Å; L253-Y302 HydrophobicContact CD1-CE1 4.2Å; L253-Y302 HydrophobicContact CD1-CE2 4.23Å; L253-Y302 HydrophobicContact CD1-CG 4.27Å; L253-Y302 HydrophobicContact CD2-CD1 4.45Å; L253-Y302 HydrophobicContact CD2-CD2 3.7Å; L253-Y302 HydrophobicContact CD2-CE2 4.34Å; L253-Y302 HydrophobicContact CD2-CG 3.76Å; L253-Y302 HydrophobicContact CG-CD2 4.16Å; L253-Y302 HydrophobicContact CG-CE2 4.31Å; L253-Y302 HydrophobicContact CG-CG 4.44Å; F298-Y302 HydrophobicContact CD1-CD2 4.28Å; F298-Y302 AromaticContact CE1-CD2 3.86Å; F298-Y302 HydrophobicContact CE1-CD2 3.86Å; F298-Y302 HydrophobicContact CE1-CE2 4.03Å; F298-Y302 HydrophobicContact CE2-CE2 4.16Å; F298-Y302 HydrophobicContact CZ-CD2 4.08Å; F298-Y302 AromaticContact CZ-CE2 3.75Å; F298-Y302 HydrophobicContact CZ-CE2 3.75Å; F298-Y302 WeakPolarHBondContact O-CD2 3.47Å; L299-Y302 CarbonylContact O-C 3.22Å; L299-Y302 WeakPolarHBondContact O-CA 3.37Å; L299-Y302 PolarHBondContact O-N 2.72Å; K300-Y302 PolarHBondContact O-N 2.97Å; K300-Y302 VanDerWaalsContact O-N 3.15Å; Y302-R304 PolarHBondContact O-N 2.85Å; Y302-I305 WeakPolarHBondContact O-CA 3.31Å; Y302-I305 PolarHBondContact O-N 3.31Å; Y302-F306 PolarHBondContact O-N 3.46Å
303N88.7Confident86.2Confident108 Ų10858.9 Ų58.958%0.57831%0.307SS*.THydrogen-bonded Turntrans-55.5-13.2177.369.5-10.3000116.5L299 K300 F306L299-N303 PolarHBondContact O-N 2.96Å; K300-N303 WeakPolarHBondContact O-CB 3.26Å; K300-N303 PolarHBondContact O-N 2.88Å; N303-F306 CarbonylContact C-O 3.58Å; N303-F306 WeakPolarHBondContact CA-O 3.36Å
304R86.3Confident87.2Confident82 Ų8256.6 Ų56.631%0.30930%0.296SS..THydrogen-bonded Turntrans-86.8-10172.3-74.9171.856.8-152.4-10.2113.6E240 D241 N242 I243 Y302 L323E240-R304 PolarHBondContact O-NE 3.02Å; E240-R304 PolarHBondContact O-NH2 2.9Å; D241-R304 PolarHBondContact O-NH2 3.46Å; N242-R304 PolarHBondContact O-NH1 2.92Å; N242-R304 PolarHBondContact O-NH2 2.83Å; I243-R304 HydrophobicContact CD1-CB 3.93Å; Y302-R304 PolarHBondContact O-N 2.85Å; R304-L323 WeakPolarHBondContact O-CD1 3.38Å
305I91.8Very high87.8Confident0 Ų052.5 Ų52.50%028%0.277CS..THydrogen-bonded Turntrans-111.4-34.5176.4-61.7172.6000110.3I243 L253 M257 Y302 V317 H318 T320 L323 F504I243-I305 HydrophobicContact CD1-CD1 4.07Å; I243-I305 HydrophobicContact CD1-CG1 3.97Å; L253-I305 HydrophobicContact CD1-CD1 3.94Å; L253-I305 HydrophobicContact CD2-CD1 3.87Å; L253-I305 HydrophobicContact CD2-CG2 4.46Å; M257-I305 HydrophobicContact CE-CG2 4.23Å; M257-I305 HydrophobicContact CG-CG2 3.85Å; M257-I305 HydrophobicContact SD-CG2 3.54Å; M257-I305 VanDerWaalsContact SD-CG2 3.54Å; Y302-I305 WeakPolarHBondContact O-CA 3.31Å; Y302-I305 PolarHBondContact O-N 3.31Å; I305-V317 WeakPolarHBondContact O-CA 3.48Å; I305-H318 PolarHBondContact O-N 2.9Å; I305-T320 HydrophobicContact CG1-CG2 4.27Å; I305-T320 HydrophobicContact CG2-CG2 4.18Å; I305-L323 HydrophobicContact CG1-CD1 4.27Å; I305-F504 HydrophobicContact CD1-CE1 4.23Å; I305-F504 HydrophobicContact CD1-CZ 4.13Å
306F93.4Very high88.1Confident4 Ų456.9 Ų56.92%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-126.2145.8179.2-44.8-78.1000113.4L253 L256 M257 I260 L299 Y302 N303 V315 E316 V317L253-F306 HydrophobicContact CD2-CE2 3.43Å; L253-F306 VanDerWaalsContact CD2-CE2 3.43Å; L253-F306 HydrophobicContact CD2-CZ 3.8Å; L256-F306 HydrophobicContact CB-CE1 4.12Å; L256-F306 HydrophobicContact CB-CZ 3.79Å; L256-F306 HydrophobicContact CD1-CE2 4.37Å; L256-F306 HydrophobicContact CD1-CZ 4.09Å; M257-F306 HydrophobicContact CG-CE1 3.88Å; M257-F306 HydrophobicContact CG-CZ 4.07Å; I260-F306 HydrophobicContact CD1-CD1 3.97Å; I260-F306 HydrophobicContact CD1-CE1 3.84Å; L299-F306 HydrophobicContact CB-CD2 4.45Å; L299-F306 HydrophobicContact CD2-CB 4.17Å; L299-F306 HydrophobicContact CD2-CD1 3.93Å; L299-F306 HydrophobicContact CD2-CD2 3.54Å; L299-F306 HydrophobicContact CD2-CE1 4.16Å; L299-F306 HydrophobicContact CD2-CE2 3.76Å; L299-F306 HydrophobicContact CD2-CG 3.61Å; L299-F306 HydrophobicContact CD2-CZ 4.08Å; Y302-F306 PolarHBondContact O-N 3.46Å; N303-F306 CarbonylContact C-O 3.58Å; N303-F306 WeakPolarHBondContact CA-O 3.36Å; F306-V315 HydrophobicContact CB-CG1 4.37Å; F306-V315 HydrophobicContact CD1-CG1 4.43Å; F306-E316 CarbonylContact C-O 3.6Å; F306-E316 VanDerWaalsContact CA-O 3.23Å; F306-E316 WeakPolarHBondContact CA-O 3.07Å; F306-V317 HydrophobicContact CD1-CG2 3.86Å; F306-V317 HydrophobicContact CE1-CG2 3.95Å
307T91.8Very high88.5Confident54 Ų5456.7 Ų56.733%0.33130%0.296SS..EExtended strand (participates in β ladder)trans-102.9143.6156.4-86.20000109.2V315 E316 H318T307-V315 WeakPolarHBondContact O-CA 3.3Å; T307-E316 PolarHBondContact N-O 2.88Å; T307-E316 PolarHBondContact O-N 2.68Å; T307-H318 PolarHBondContact OG1-CE1 2.94Å; T307-H318 PolarHBondContact OG1-NE2 2.68Å
308V90.7Very high88.9Confident34 Ų3454.6 Ų54.621%0.20629%0.286CS..EExtended strand (participates in β ladder)trans-123.5113172.8-176.90000108L299 E310 V314 V315L299-V308 HydrophobicContact CB-CG2 3.65Å; L299-V308 HydrophobicContact CD1-CG2 4.05Å; L299-V308 HydrophobicContact CG-CG2 4.46Å; V308-E310 PolarHBondContact O-N 3.03Å; V308-V314 WeakPolarHBondContact CA-O 3.37Å; V308-V315 HydrophobicContact CG2-CG1 4.44Å; V308-V315 HydrophobicContact CG2-CG2 4.39Å
309D90.3Very high88.8Confident73 Ų7363.7 Ų63.739%0.3932%0.321SS..EExtended strand (participates in β ladder)trans-81.8106166.6-176.7-17.8000108.2V311 A312 S313 V314D309-V311 PolarHBondContact O-N 3.23Å; D309-V311 WeakPolarHBondContact OD1-CA 3.2Å; D309-V311 WeakPolarHBondContact OD1-CB 3.22Å; D309-V311 PolarHBondContact OD1-N 3.22Å; D309-A312 HydrophobicContact CB-CB 4.06Å; D309-A312 PolarHBondContact OD1-N 3.5Å; D309-A312 VanDerWaalsContact OD2-CB 3.27Å; D309-A312 WeakPolarHBondContact OD2-CB 3.49Å; D309-S313 WeakPolarHBondContact O-CA 3.17Å; D309-S313 PolarHBondContact O-N 3.32Å; D309-V314 PolarHBondContact N-O 3.2Å; D309-V314 PolarHBondContact O-N 2.89Å
310E85.3Confident88.6Confident135 Ų13563.8 Ų63.863%0.63132%0.322SS*.THydrogen-bonded Turntrans-65.8-26.1178.2-58.8-169.4146.100112.9K300 V308K300-E310 WeakPolarHBondContact CE-OE1 3.4Å; K300-E310 IonicContact NZ-OE1 2.71Å; K300-E310 PolarHBondContact NZ-OE1 2.98Å; V308-E310 PolarHBondContact O-N 3.03Å
311V85.4Confident88.7Confident142 Ų14265.1 Ų65.186%0.86133%0.333SS*.THydrogen-bonded Turntrans-84-45.8-176.8-1750000110.7D309 S313D309-V311 PolarHBondContact O-N 3.23Å; D309-V311 WeakPolarHBondContact OD1-CA 3.2Å; D309-V311 WeakPolarHBondContact OD1-CB 3.22Å; D309-V311 PolarHBondContact OD1-N 3.22Å; V311-S313 VanDerWaalsContact C-N 3.29Å
312A88.4Confident88.9Confident53 Ų5366.7 Ų66.744%0.43834%0.34SS..THydrogen-bonded Turntrans-76.8-17.3172.400000112.8D309 V314D309-A312 HydrophobicContact CB-CB 4.06Å; D309-A312 PolarHBondContact OD1-N 3.5Å; D309-A312 VanDerWaalsContact OD2-CB 3.27Å; D309-A312 WeakPolarHBondContact OD2-CB 3.49Å; A312-V314 VanDerWaalsContact C-N 3.27Å; A312-V314 HydrophobicContact CB-CB 4.21Å; A312-V314 HydrophobicContact CB-CG2 3.85Å; A312-V314 PolarHBondContact O-N 2.94Å
313S89.4Confident88.9Confident47 Ų4766.5 Ų66.533%0.32934%0.34SS..THydrogen-bonded Turntrans56.639.7-169.3-690000112.7M269 I270 D309 V311M269-S313 CarbonylContact C-O 3.6Å; M269-S313 WeakPolarHBondContact CA-O 3.18Å; I270-S313 PolarHBondContact N-O 3.27Å; D309-S313 WeakPolarHBondContact O-CA 3.17Å; D309-S313 PolarHBondContact O-N 3.32Å; V311-S313 VanDerWaalsContact C-N 3.29Å
314V92.1Very high88.7Confident22 Ų2263.1 Ų63.113%0.13332%0.321CS..EExtended strand (participates in β ladder)trans-112145.2-178.3174.90000110.6E267 I268 M269 V308 D309 A312 E316E267-V314 HydrophobicContact CB-CG1 3.96Å; E267-V314 HydrophobicContact CG-CG1 4.44Å; I268-V314 CarbonylContact O-C 3.48Å; I268-V314 WeakPolarHBondContact O-CA 3.35Å; M269-V314 HydrophobicContact CG-CG2 4.32Å; V308-V314 WeakPolarHBondContact CA-O 3.37Å; D309-V314 PolarHBondContact N-O 3.2Å; D309-V314 PolarHBondContact O-N 2.89Å; A312-V314 VanDerWaalsContact C-N 3.27Å; A312-V314 HydrophobicContact CB-CB 4.21Å; A312-V314 HydrophobicContact CB-CG2 3.85Å; A312-V314 PolarHBondContact O-N 2.94Å; V314-E316 HydrophobicContact CG1-CG 4.4Å
315V92.9Very high88.7Confident0 Ų059.2 Ų59.20%031%0.307CS..EExtended strand (participates in β ladder)trans-119.6129.6177-173.20000108.7I260 E267 I268 I270 L273 L299 F306 T307 V308I260-V315 HydrophobicContact CD1-CG1 3.93Å; E267-V315 CarbonylContact C-O 3.54Å; E267-V315 WeakPolarHBondContact CA-O 3.19Å; I268-V315 HydrophobicContact CG2-CB 4.18Å; I268-V315 PolarHBondContact N-O 2.54Å; I268-V315 PolarHBondContact O-N 2.76Å; I270-V315 HydrophobicContact CB-CG2 4.24Å; I270-V315 HydrophobicContact CG1-CG2 4.39Å; L273-V315 HydrophobicContact CD2-CB 4.38Å; L273-V315 HydrophobicContact CD2-CG1 4.42Å; L273-V315 HydrophobicContact CD2-CG2 4.17Å; L299-V315 HydrophobicContact CD1-CB 4.42Å; L299-V315 HydrophobicContact CD1-CG1 3.83Å; L299-V315 HydrophobicContact CD1-CG2 3.67Å; L299-V315 HydrophobicContact CD2-CG1 3.9Å; L299-V315 HydrophobicContact CG-CG1 4.45Å; F306-V315 HydrophobicContact CB-CG1 4.37Å; F306-V315 HydrophobicContact CD1-CG1 4.43Å; T307-V315 WeakPolarHBondContact O-CA 3.3Å; V308-V315 HydrophobicContact CG2-CG1 4.44Å; V308-V315 HydrophobicContact CG2-CG2 4.39Å
316E92Very high88.2Confident91 Ų9159.6 Ų59.643%0.42531%0.308SS..EExtended strand (participates in β ladder)trans-121.3148.4178.9-66.6178.6-167.600110.6E267 F306 T307 V314E267-E316 HydrophobicContact CB-CG 4.16Å; F306-E316 CarbonylContact C-O 3.6Å; F306-E316 VanDerWaalsContact CA-O 3.23Å; F306-E316 WeakPolarHBondContact CA-O 3.07Å; T307-E316 PolarHBondContact N-O 2.88Å; T307-E316 PolarHBondContact O-N 2.68Å; V314-E316 HydrophobicContact CG1-CG 4.4Å
317V91.5Very high87.8Confident16 Ų1659.4 Ų59.410%0.09731%0.308CS..EExtended strand (participates in β ladder)trans-99.4126.4174.9176.40000111.1M257 I260 I305 F306M257-V317 HydrophobicContact CE-CG1 3.98Å; M257-V317 HydrophobicContact CG-CG1 4.26Å; M257-V317 HydrophobicContact CG-CG2 4.46Å; I260-V317 HydrophobicContact CB-CG2 3.75Å; I260-V317 HydrophobicContact CD1-CG2 3.7Å; I260-V317 HydrophobicContact CG1-CG2 4.34Å; I260-V317 HydrophobicContact CG2-CG2 3.68Å; I305-V317 WeakPolarHBondContact O-CA 3.48Å; F306-V317 HydrophobicContact CD1-CG2 3.86Å; F306-V317 HydrophobicContact CE1-CG2 3.95Å
318H88Confident86.6Confident67 Ų6757.1 Ų57.131%0.3129%0.294SS..  trans-72.9160.5175.4-71.7-44.4000113.4I305 T307 T320I305-H318 PolarHBondContact O-N 2.9Å; T307-H318 PolarHBondContact OG1-CE1 2.94Å; T307-H318 PolarHBondContact OG1-NE2 2.68Å; H318-T320 PolarHBondContact O-N 2.7Å
319Y82Confident85Confident203 Ų20358.9 Ų58.980%0.79631%0.308SS*.  trans-7194.7173.3-72.2-88.5000110.8N321Y319-N321 PolarHBondContact O-N 3.02Å
320T85.6Confident83.1Confident2 Ų258.9 Ų58.91%0.01230%0.302CS..  trans-76.63.1-176.152.90000114.9M257 I305 H318 K322 L323 Q503 F504M257-T320 HydrophobicContact CE-CG2 3.6Å; I305-T320 HydrophobicContact CG1-CG2 4.27Å; I305-T320 HydrophobicContact CG2-CG2 4.18Å; H318-T320 PolarHBondContact O-N 2.7Å; T320-K322 PolarHBondContact O-N 2.95Å; T320-L323 HydrophobicContact CG2-CD1 3.81Å; T320-L323 WeakPolarHBondContact O-CB 3.5Å; T320-L323 PolarHBondContact O-N 2.95Å; T320-Q503 CarbonylContact C-O 3.08Å; T320-Q503 WeakPolarHBondContact CB-O 3.37Å; T320-Q503 PolarHBondContact OG1-O 3.34Å; T320-F504 HydrophobicContact CG2-CE1 4.02Å; T320-F504 HydrophobicContact CG2-CZ 4.05Å
321N86.5Confident81.1Confident109 Ų10956 Ų5658%0.58329%0.289SS*.THydrogen-bonded Turntrans-70.1-6.9-166.672.2-17.7000116.1Y319 Q503Y319-N321 PolarHBondContact O-N 3.02Å; N321-Q503 VanDerWaalsContact CA-O 3.3Å; N321-Q503 WeakPolarHBondContact CA-O 3.36Å; N321-Q503 PolarHBondContact N-O 2.99Å
322K86.8Confident79.3Confident142 Ų14253.8 Ų53.862%0.61727%0.271SS*.THydrogen-bonded Turntrans-101.7-15.3168.5-63.8-176.6-179.1-179.90113.2D241 T320 A505D241-K322 WeakPolarHBondContact OD1-CB 3.5Å; T320-K322 PolarHBondContact O-N 2.95Å; K322-A505 VanDerWaalsContact C-CB 3.49Å; K322-A505 WeakPolarHBondContact O-CB 3.48Å
323L87.9Confident77.1Confident13 Ų1358 Ų587%0.06829%0.286CS..PPolyproline II helixtrans-78129.5-171.3-56.6177.1000110.7D241 I243 R304 I305 T320 F504 A505D241-L323 CarbonylContact O-C 3.55Å; D241-L323 VanDerWaalsContact O-CA 3.25Å; D241-L323 WeakPolarHBondContact O-CA 3.21Å; I243-L323 HydrophobicContact CD1-CD1 3.94Å; I243-L323 HydrophobicContact CD1-CD2 4.45Å; R304-L323 WeakPolarHBondContact O-CD1 3.38Å; I305-L323 HydrophobicContact CG1-CD1 4.27Å; T320-L323 HydrophobicContact CG2-CD1 3.81Å; T320-L323 WeakPolarHBondContact O-CB 3.5Å; T320-L323 PolarHBondContact O-N 2.95Å; L323-F504 HydrophobicContact CB-CD1 3.94Å; L323-F504 HydrophobicContact CB-CE1 4.26Å; L323-A505 PolarHBondContact O-N 3.27Å
324N84.8Confident74.7Confident36 Ų3659.9 Ų59.919%0.19329%0.293CS..EExtended strand (participates in β ladder)trans-93.8120.8169.1-55.8-69.3000108.7D241 N242 I243 F326 N506D241-N324 PolarHBondContact O-N 3.12Å; N242-N324 WeakPolarHBondContact OD1-CB 3.46Å; N242-N324 PolarHBondContact OD1-ND2 3.25Å; I243-N324 PolarHBondContact N-O 3.06Å; N324-F326 HydrophobicContact CB-CD2 4.44Å; N324-F326 HydrophobicContact CB-CE1 4.45Å; N324-F326 HydrophobicContact CB-CE2 3.45Å; N324-F326 VanDerWaalsContact CB-CE2 3.45Å; N324-F326 HydrophobicContact CB-CZ 3.46Å; N324-F326 VanDerWaalsContact CB-CZ 3.46Å; N324-F326 WeakPolarHBondContact O-CE2 3.48Å; N324-N506 WeakPolarHBondContact CA-O 3.45Å; N324-N506 WeakPolarHBondContact OD1-CB 3.29Å
325L86.8Confident72.3Confident0 Ų061.1 Ų61.10%030%0.302CS..EExtended strand (participates in β ladder)trans-102.4119.4179-168.566.4000110.3I243 V245 F254 F504 N506 V507 R508I243-L325 HydrophobicContact CB-CD1 4.05Å; I243-L325 HydrophobicContact CG2-CD1 4.03Å; I243-L325 WeakPolarHBondContact O-CA 3.45Å; V245-L325 HydrophobicContact CB-CD1 4.43Å; V245-L325 HydrophobicContact CG1-CD1 3.73Å; V245-L325 HydrophobicContact CG2-CD1 3.77Å; V245-L325 HydrophobicContact CG2-CD2 4.48Å; V245-L325 HydrophobicContact CG2-CG 4.07Å; F254-L325 HydrophobicContact CE1-CD2 3.63Å; F254-L325 HydrophobicContact CZ-CD2 4.28Å; L325-F504 HydrophobicContact CB-CD1 3.96Å; L325-F504 HydrophobicContact CB-CE1 4.17Å; L325-F504 HydrophobicContact CB-CG 4.42Å; L325-F504 HydrophobicContact CD2-CE1 4.21Å; L325-F504 HydrophobicContact CD2-CE2 4.29Å; L325-F504 HydrophobicContact CD2-CZ 4.06Å; L325-N506 PolarHBondContact N-O 3.15Å; L325-V507 HydrophobicContact CB-CG1 4.38Å; L325-V507 HydrophobicContact CB-CG2 4.25Å; L325-V507 HydrophobicContact CD2-CG1 4.34Å; L325-V507 WeakPolarHBondContact O-CA 3.43Å; L325-R508 PolarHBondContact O-N 3.05Å
326F81.5Confident69.9Low9 Ų965.3 Ų65.34%0.03933%0.332CS..EExtended strand (participates in β ladder)trans-109.6113.1180-51.1-89.8000109.5N242 I243 I244 V245 N324 A328 R508 A510 E514N242-F326 HydrophobicContact CB-CD2 4.45Å; N242-F326 HydrophobicContact CB-CE2 3.7Å; I243-F326 WeakPolarHBondContact O-CD2 3.5Å; I243-F326 PolarHBondContact O-N 3.21Å; I244-F326 WeakPolarHBondContact CA-O 3.43Å; I244-F326 HydrophobicContact CD1-CB 4.3Å; I244-F326 HydrophobicContact CG1-CB 4.01Å; I244-F326 HydrophobicContact CG1-CD2 4.16Å; I244-F326 HydrophobicContact CG1-CG 4.45Å; I244-F326 HydrophobicContact CG2-CB 4.49Å; I244-F326 WeakPolarHBondContact CG2-O 3.44Å; V245-F326 PolarHBondContact N-O 3.23Å; N324-F326 HydrophobicContact CB-CD2 4.44Å; N324-F326 HydrophobicContact CB-CE1 4.45Å; N324-F326 HydrophobicContact CB-CE2 3.45Å; N324-F326 VanDerWaalsContact CB-CE2 3.45Å; N324-F326 HydrophobicContact CB-CZ 3.46Å; N324-F326 VanDerWaalsContact CB-CZ 3.46Å; N324-F326 WeakPolarHBondContact O-CE2 3.48Å; F326-A328 PolarHBondContact O-N 3.43Å; F326-R508 CarbonylContact C-O 3.5Å; F326-R508 WeakPolarHBondContact CA-O 3.32Å; F326-R508 HydrophobicContact CD1-CG 3.87Å; F326-R508 HydrophobicContact CE1-CG 4.24Å; F326-A510 HydrophobicContact CB-CB 3.71Å; F326-E514 VanDerWaalsContact CD1-OE2 3.3Å; F326-E514 WeakPolarHBondContact CD1-OE2 3.35Å; F326-E514 VanDerWaalsContact CE1-OE1 3.23Å; F326-E514 WeakPolarHBondContact CE1-OE1 3.45Å
327V83.2Confident67.6Low0 Ų063.6 Ų63.60%033%0.329CS..EExtended strand (participates in β ladder)trans-90.3103.7-175.1-172.40000109.3V245 L247 C250 V507 R508 M509 A510V245-V327 HydrophobicContact CG2-CG2 4.34Å; L247-V327 HydrophobicContact CB-CG1 4.23Å; L247-V327 HydrophobicContact CD1-CG1 4.04Å; C250-V327 HydrophobicContact CB-CG1 4.16Å; C250-V327 HydrophobicContact CB-CG2 4.22Å; V327-V507 HydrophobicContact CG2-CG1 4.16Å; V327-R508 PolarHBondContact N-O 3.15Å; V327-M509 HydrophobicContact CB-SD 4.02Å; V327-M509 HydrophobicContact CG1-CE 4.43Å; V327-M509 HydrophobicContact CG1-SD 4.16Å; V327-M509 CarbonylContact O-C 3.47Å; V327-M509 WeakPolarHBondContact O-CA 3.33Å; V327-M509 VanDerWaalsContact O-CE 3.25Å; V327-M509 WeakPolarHBondContact O-CE 3.33Å; V327-A510 PolarHBondContact O-N 3.21Å
328A68Low65.9Low6 Ų664.1 Ų64.15%0.0534%0.337CS..EExtended strand (participates in β ladder)trans-70.2130167.300000109.3I244 V245 C246 L247 F326 R330 A510 I515I244-A328 HydrophobicContact CG2-CB 4.47Å; V245-A328 WeakPolarHBondContact O-CB 3.37Å; V245-A328 PolarHBondContact O-N 3.06Å; C246-A328 CarbonylContact C-O 3.21Å; C246-A328 WeakPolarHBondContact CA-O 3.42Å; L247-A328 PolarHBondContact N-O 2.97Å; F326-A328 PolarHBondContact O-N 3.43Å; A328-R330 PolarHBondContact O-N 3.39Å; A328-A510 HydrophobicContact CB-CB 4.49Å; A328-I515 HydrophobicContact CB-CD1 3.96Å
329S56.6Low64.1Low70 Ų7063.8 Ų63.849%0.4934%0.338SS..SBendtrans-58.9-8.6-177.6155.80000115.3
330R49.8Very low63.3Low73 Ų7355.3 Ų55.328%0.27531%0.306SS..SBendtrans-144.1152.3-173.3-67.7145.6-150.8-105.8-9.6110C246 A328 I332 C337 L339C246-R330 VanDerWaalsContact CB-C 3.45Å; C246-R330 WeakPolarHBondContact CB-O 3.47Å; A328-R330 PolarHBondContact O-N 3.39Å; R330-I332 PolarHBondContact O-N 2.92Å; R330-C337 HydrophobicContact CG-CB 4.03Å; R330-C337 VanDerWaalsContact NH1-CB 3.35Å; R330-C337 PolarHBondContact NH1-O 2.9Å; R330-C337 PolarHBondContact NH1-SG 3.37Å; R330-C337 PolarHBondContact NH2-SG 3.46Å; R330-L339 VanDerWaalsContact NH1-CB 3.28Å; R330-L339 PolarHBondContact NH1-O 3.2Å
331H44.6Very low62.2Low74 Ų7457.1 Ų57.134%0.34332%0.317SS..  trans-52132154.7-83.7-80.2000109.7C246 D248 N333 D334C246-H331 PolarHBondContact SG-CE1 3.03Å; C246-H331 PolarHBondContact SG-ND1 3.21Å; C246-H331 VanDerWaalsContact SG-ND1 3.38Å; D248-H331 IonicContact OD2-CD2 3.09Å; D248-H331 PolarHBondContact OD2-CD2 3.01Å; D248-H331 IonicContact OD2-NE2 2.72Å; H331-N333 PolarHBondContact O-N 3.09Å; H331-D334 HydrophobicContact CB-CB 3.77Å; H331-D334 PolarHBondContact O-N 3.4Å
332I47.9Very low61.2Low97 Ų9752.9 Ų52.950%0.49730%0.296SS..THydrogen-bonded Turntrans-57.9-18.8-180-64.9171.2000112.1R330R330-I332 PolarHBondContact O-N 2.92Å
333N41.9Very low60.3Low141 Ų14149.2 Ų49.275%0.75428%0.281SS*.THydrogen-bonded Turntrans-118.7-3.3-176.4-63.8-32.4000115.6H331H331-N333 PolarHBondContact O-N 3.09Å
334D39Very low59.9Low86 Ų8654.8 Ų54.846%0.4630%0.304SS..  trans-92.4137.3-173.5-170.837.5000114.2H331 S336H331-D334 HydrophobicContact CB-CB 3.77Å; H331-D334 PolarHBondContact O-N 3.4Å; D334-S336 WeakPolarHBondContact OD2-CB 3.35Å; D334-S336 PolarHBondContact OD2-OG 2.85Å
335S40.9Very low59.4Low48 Ų4853.4 Ų53.434%0.33630%0.299SS..  trans-102.217.3-165.9-600000113.7K402S335-K402 PolarHBondContact O-NZ 3.04Å
336S42.9Very low59.3Low89 Ų8956 Ų5662%0.62232%0.317SS*.SBendtrans-85.4-40.1-177.559.40000113.4D334D334-S336 WeakPolarHBondContact OD2-CB 3.35Å; D334-S336 PolarHBondContact OD2-OG 2.85Å
337C43.2Very low59.6Low55 Ų5555.7 Ų55.737%0.37232%0.315SS..SBendtrans-98.3138.8-174.1-156.10000111.1R330 L339R330-C337 HydrophobicContact CG-CB 4.03Å; R330-C337 VanDerWaalsContact NH1-CB 3.35Å; R330-C337 PolarHBondContact NH1-O 2.9Å; R330-C337 PolarHBondContact NH1-SG 3.37Å; R330-C337 PolarHBondContact NH2-SG 3.46Å; C337-L339 VanDerWaalsContact C-N 3.25Å; C337-L339 PolarHBondContact O-N 2.86Å
338G55.8Low59.8Low26 Ų2658.6 Ų58.627%0.26833%0.328SS..SBendtrans-71.634.4-160.400000119.9I393 L394G338-I393 CarbonylContact O-C 3.52Å; G338-I393 WeakPolarHBondContact O-CA 3.45Å; G338-L394 PolarHBondContact O-N 2.96Å
339L51.4Low60.8Low60 Ų6059.6 Ų59.631%0.31434%0.335SS..EExtended strand (participates in β ladder)trans-151.9128.5177.2-176.980.5000109.3R330 C337 V341 A392 I393R330-L339 VanDerWaalsContact NH1-CB 3.28Å; R330-L339 PolarHBondContact NH1-O 3.2Å; C337-L339 VanDerWaalsContact C-N 3.25Å; C337-L339 PolarHBondContact O-N 2.86Å; L339-V341 HydrophobicContact CD2-CG2 3.63Å; L339-V341 HydrophobicContact CG-CG2 3.84Å; L339-A392 CarbonylContact C-O 3.57Å; L339-A392 VanDerWaalsContact CA-O 3.26Å; L339-A392 WeakPolarHBondContact CA-O 3.36Å; L339-A392 WeakPolarHBondContact CD1-O 3.44Å; L339-I393 HydrophobicContact CD1-CG2 3.59Å
340I65Low62.5Low25 Ų2557.6 Ų57.613%0.12832%0.319CS..EExtended strand (participates in β ladder)trans-105139164.7-63174000107.9Q343 L359 F390 N391 A392 W403I340-Q343 HydrophobicContact CG2-CB 3.39Å; I340-Q343 HydrophobicContact CG2-CG 4.08Å; I340-L359 HydrophobicContact CD1-CD1 4.11Å; I340-F390 HydrophobicContact CB-CE2 4.24Å; I340-F390 HydrophobicContact CD1-CE2 4.38Å; I340-F390 HydrophobicContact CG2-CE2 3.67Å; I340-F390 HydrophobicContact CG2-CZ 4.11Å; I340-N391 WeakPolarHBondContact O-CA 3.26Å; I340-A392 HydrophobicContact CB-CB 4.44Å; I340-A392 PolarHBondContact N-O 2.8Å; I340-A392 PolarHBondContact O-N 3.21Å; I340-W403 HydrophobicContact CD1-CD2 3.54Å; I340-W403 VanDerWaalsContact CD1-CE2 3.46Å; I340-W403 HydrophobicContact CD1-CE3 3.98Å; I340-W403 HydrophobicContact CD1-CG 3.86Å; I340-W403 HydrophobicContact CD1-CH2 4.28Å; I340-W403 HydrophobicContact CD1-CZ2 3.86Å; I340-W403 HydrophobicContact CD1-CZ3 4.33Å; I340-W403 HydrophobicContact CG1-CD2 4.11Å; I340-W403 HydrophobicContact CG1-CE3 4.03Å; I340-W403 HydrophobicContact CG1-CH2 4.01Å; I340-W403 HydrophobicContact CG1-CZ2 4.07Å; I340-W403 HydrophobicContact CG1-CZ3 3.99Å
341V61.3Low64.5Low40 Ų4057.9 Ų57.924%0.24233%0.326CS..EExtended strand (participates in β ladder)trans-128.1133.1-179.5-177.90000110.5L339 Q343 N391 V512L339-V341 HydrophobicContact CD2-CG2 3.63Å; L339-V341 HydrophobicContact CG-CG2 3.84Å; V341-Q343 PolarHBondContact O-N 3.1Å; V341-N391 WeakPolarHBondContact CA-OD1 3.47Å; V341-V512 HydrophobicContact CG1-CG1 3.92Å
342S66.7Low66.8Low21 Ų2161.4 Ų61.415%0.14734%0.336CS..EExtended strand (participates in β ladder)trans50.328.6171.1-600000115.7F390 N391 E516S342-F390 PolarHBondContact N-O 3.14Å; S342-N391 PolarHBondContact N-OD1 3.48Å; S342-N391 PolarHBondContact OG-OD1 2.94Å; S342-E516 WeakPolarHBondContact OG-CG 3.42Å; S342-E516 PolarHBondContact OG-OE1 2.87Å; S342-E516 VanDerWaalsContact OG-OE1 3.06Å
343Q67.9Low68.9Low64 Ų6460.6 Ų60.630%0.29933%0.333SS..EExtended strand (participates in β ladder)trans-77.7148178.9179.255.719.100110.4I340 V341 Y389 F390I340-Q343 HydrophobicContact CG2-CB 3.39Å; I340-Q343 HydrophobicContact CG2-CG 4.08Å; V341-Q343 PolarHBondContact O-N 3.1Å; Q343-Y389 CarbonylContact O-C 3.57Å; Q343-Y389 WeakPolarHBondContact O-CA 3.39Å; Q343-F390 HydrophobicContact CB-CE1 3.95Å; Q343-F390 HydrophobicContact CB-CE2 4.13Å; Q343-F390 HydrophobicContact CB-CZ 3.62Å; Q343-F390 HydrophobicContact CG-CE1 3.88Å; Q343-F390 HydrophobicContact CG-CE2 4.5Å; Q343-F390 HydrophobicContact CG-CZ 3.58Å; Q343-F390 PolarHBondContact N-O 3.01Å; Q343-F390 WeakPolarHBondContact O-CD1 3.5Å; Q343-F390 WeakPolarHBondContact O-CE1 3.26Å; Q343-F390 PolarHBondContact O-N 2.94Å
344K79Confident71.3Confident130 Ų13058.3 Ų58.357%0.56531%0.314SS*.EExtended strand (participates in β ladder)trans-95.7148.2170.869-178.7-179.8-178.20111.7V387 V388 Y389K344-V387 HydrophobicContact CB-CG1 4.5Å; K344-V388 WeakPolarHBondContact CA-O 3.23Å; K344-Y389 HydrophobicContact CB-CD1 3.86Å; K344-Y389 HydrophobicContact CB-CE1 3.8Å
345G74.8Confident73.9Confident7 Ų754.2 Ų54.27%0.07229%0.292CS..EExtended strand (participates in β ladder)trans-157.2176.5170.400000111.8V387 V388G345-V387 WeakPolarHBondContact O-CA 3.49Å; G345-V388 PolarHBondContact N-O 2.62Å; G345-V388 PolarHBondContact O-N 2.91Å
346C84.3Confident76.3Confident56 Ų5652.8 Ų52.838%0.37828%0.28SS..EExtended strand (participates in β ladder)trans-107.4137.2-177.9-69.10000110.8F348 I357 D358 E386C346-F348 PolarHBondContact O-N 2.88Å; C346-I357 CarbonylContact O-C 3.48Å; C346-I357 WeakPolarHBondContact O-CA 3.36Å; C346-D358 PolarHBondContact N-O 3.08Å; C346-D358 PolarHBondContact O-N 3.34Å; C346-E386 WeakPolarHBondContact CA-O 3.21Å
347I88.6Confident78.4Confident1 Ų148.6 Ų48.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-63.7106.5172.7-59.7-68.5000109.2V350 I357 F367 F382 K383 K385 E386 V388I347-V350 HydrophobicContact CG2-CB 4.08Å; I347-V350 HydrophobicContact CG2-CG1 4.19Å; I347-I357 HydrophobicContact CD1-CG1 4.24Å; I347-F367 HydrophobicContact CD1-CE1 3.63Å; I347-F367 HydrophobicContact CD1-CZ 3.58Å; I347-F382 HydrophobicContact CD1-CB 4.31Å; I347-F382 HydrophobicContact CD1-CD1 4.14Å; I347-F382 HydrophobicContact CD1-CG 4.34Å; I347-F382 HydrophobicContact CG1-CB 4.31Å; I347-F382 HydrophobicContact CG1-CD1 4.38Å; I347-K383 VanDerWaalsContact CB-O 3.26Å; I347-K383 WeakPolarHBondContact CB-O 3.31Å; I347-K383 WeakPolarHBondContact CG2-O 3.43Å; I347-K385 PolarHBondContact O-N 3.03Å; I347-E386 HydrophobicContact CG1-CB 4.28Å; I347-E386 WeakPolarHBondContact CG1-O 3.49Å; I347-E386 PolarHBondContact N-O 2.96Å; I347-V388 HydrophobicContact CD1-CG1 3.93Å; I347-V388 HydrophobicContact CD1-CG2 3.75Å; I347-V388 HydrophobicContact CG1-CG1 3.97Å; I347-V388 HydrophobicContact CG1-CG2 4.19Å
348F86.4Confident80.3Confident61 Ų6147.1 Ų47.127%0.26824%0.239SC..EExtended strand (participates in β ladder)trans-78.4-45.8178.7176.9-99.8000111.2C346 I356 D358 I384 F658C346-F348 PolarHBondContact O-N 2.88Å; F348-I356 HydrophobicContact CB-CB 4.48Å; F348-I356 HydrophobicContact CB-CG2 4.28Å; F348-I356 HydrophobicContact CD1-CG2 4.43Å; F348-I356 PolarHBondContact N-O 3.02Å; F348-D358 HydrophobicContact CB-CB 3.84Å; F348-D358 HydrophobicContact CD2-CB 4.34Å; F348-D358 HydrophobicContact CG-CB 4.4Å; F348-I384 WeakPolarHBondContact O-CG2 3.14Å; F348-F658 HydrophobicContact CD1-CZ 4.48Å; F348-F658 AromaticContact CE1-CE2 3.9Å; F348-F658 HydrophobicContact CE1-CE2 3.9Å; F348-F658 AromaticContact CE1-CZ 3.85Å; F348-F658 HydrophobicContact CE1-CZ 3.85Å
349C89.7Confident81.2Confident28 Ų2848.2 Ų48.219%0.18924%0.239CC..EExtended strand (participates in β ladder)trans-149.7153170.165.90000110.6G355 I356C349-G355 CarbonylContact O-C 3.43Å; C349-G355 VanDerWaalsContact O-CA 3.27Å; C349-G355 WeakPolarHBondContact O-CA 3.37Å; C349-I356 PolarHBondContact O-N 3.26Å
350V92.2Very high81.8Confident27 Ų2746.1 Ų46.116%0.16423%0.232CC..EExtended strand (participates in β ladder)trans-141.2141175.559.30000109.2I347 L378 T379 F382 I384I347-V350 HydrophobicContact CG2-CB 4.08Å; I347-V350 HydrophobicContact CG2-CG1 4.19Å; V350-L378 HydrophobicContact CG2-CB 3.58Å; V350-T379 HydrophobicContact CG2-CG2 4.39Å; V350-F382 HydrophobicContact CG2-CB 4.34Å; V350-I384 HydrophobicContact CG1-CG1 4.44Å
351N91.9Very high81.6Confident80 Ų8050.4 Ų50.443%0.42825%0.25SC..  trans-130170.9177.7-161-29.1000107.8L353 W354N351-L353 PolarHBondContact O-N 3.2Å; N351-W354 CarbonylContact C-O 3.58Å; N351-W354 HydrophobicContact CB-CD2 4.09Å; N351-W354 HydrophobicContact CB-CH2 4.43Å; N351-W354 HydrophobicContact CB-CZ2 3.93Å; N351-W354 PolarHBondContact N-O 2.9Å; N351-W354 PolarHBondContact O-N 3.41Å; N351-W354 VanDerWaalsContact O-O 3.04Å
352R91.8Very high81.5Confident147 Ų14749.2 Ų49.256%0.55524%0.241SC*.SBendtrans-53.4-34.7-172-168.317579.4151.45.4113.8D377 L378R352-D377 HydrophobicContact CG-CB 3.88Å; R352-D377 WeakPolarHBondContact O-CA 3.07Å; R352-L378 PolarHBondContact O-N 2.85Å
353L91.9Very high81.8Confident81 Ų8150.3 Ų50.342%0.42424%0.244SC..SBendtrans-115.7-12.6-170.9-58.4179.1000115N351 R369N351-L353 PolarHBondContact O-N 3.2Å; L353-R369 VanDerWaalsContact O-CB 3.26Å; L353-R369 WeakPolarHBondContact O-CB 3.47Å; L353-R369 PolarHBondContact O-N 2.92Å
354W93.3Very high82.4Confident92 Ų9247.9 Ų47.935%0.34823%0.233SC..EExtended strand (participates in β ladder)trans-154.6165-177.858.3-94.2000111.7N351 I356 F366 F367N351-W354 CarbonylContact C-O 3.58Å; N351-W354 HydrophobicContact CB-CD2 4.09Å; N351-W354 HydrophobicContact CB-CH2 4.43Å; N351-W354 HydrophobicContact CB-CZ2 3.93Å; N351-W354 PolarHBondContact N-O 2.9Å; N351-W354 PolarHBondContact O-N 3.41Å; N351-W354 VanDerWaalsContact O-O 3.04Å; W354-I356 HydrophobicContact CE3-CG1 4.49Å; W354-I356 HydrophobicContact CZ3-CG1 4.13Å; W354-F366 HydrophobicContact CB-CE2 3.55Å; W354-F366 HydrophobicContact CB-CZ 3.85Å; W354-F366 HydrophobicContact CD2-CE2 4.42Å; W354-F366 HydrophobicContact CE3-CE2 4.49Å; W354-F366 HydrophobicContact CG-CE2 4.05Å; W354-F367 CarbonylContact C-O 3.47Å; W354-F367 VanDerWaalsContact CA-O 3.26Å; W354-F367 WeakPolarHBondContact CA-O 3.27Å
355G92.2Very high82.9Confident0 Ų041.7 Ų41.70%021%0.206CC..EExtended strand (participates in β ladder)trans-150.5176.616900000113.1C349 F367C349-G355 CarbonylContact O-C 3.43Å; C349-G355 VanDerWaalsContact O-CA 3.27Å; C349-G355 WeakPolarHBondContact O-CA 3.37Å; G355-F367 VanDerWaalsContact CA-CE1 3.41Å; G355-F367 PolarHBondContact N-O 2.83Å; G355-F367 VanDerWaalsContact O-CD1 3.3Å; G355-F367 WeakPolarHBondContact O-CD1 3.37Å; G355-F367 PolarHBondContact O-N 2.79Å
356I91.1Very high83.6Confident19 Ų1944.1 Ų44.110%0.09721%0.214CC..EExtended strand (participates in β ladder)trans-125130.7176-57.9-65.7000109.1F348 C349 W354 H364 V365 F366F348-I356 HydrophobicContact CB-CB 4.48Å; F348-I356 HydrophobicContact CB-CG2 4.28Å; F348-I356 HydrophobicContact CD1-CG2 4.43Å; F348-I356 PolarHBondContact N-O 3.02Å; C349-I356 PolarHBondContact O-N 3.26Å; W354-I356 HydrophobicContact CE3-CG1 4.49Å; W354-I356 HydrophobicContact CZ3-CG1 4.13Å; I356-H364 HydrophobicContact CG2-CB 3.96Å; I356-V365 CarbonylContact C-O 3.56Å; I356-V365 WeakPolarHBondContact CA-O 3.28Å; I356-F366 HydrophobicContact CD1-CB 4.14Å; I356-F366 HydrophobicContact CD1-CD2 4.12Å
357I88.8Confident84Confident0 Ų041.4 Ų41.40%020%0.196CC..EExtended strand (participates in β ladder)trans-98.1129.2166.6-49.5167.7000107.4C346 I347 L359 H364 V365 F367 V388 F390 V408C346-I357 CarbonylContact O-C 3.48Å; C346-I357 WeakPolarHBondContact O-CA 3.36Å; I347-I357 HydrophobicContact CD1-CG1 4.24Å; I357-L359 HydrophobicContact CG2-CD2 4.09Å; I357-H364 WeakPolarHBondContact O-CA 3.37Å; I357-V365 HydrophobicContact CB-CB 4.19Å; I357-V365 PolarHBondContact N-O 2.86Å; I357-V365 PolarHBondContact O-N 3.25Å; I357-F367 HydrophobicContact CD1-CD1 4.13Å; I357-F367 HydrophobicContact CG1-CD1 3.74Å; I357-F367 HydrophobicContact CG1-CE1 3.86Å; I357-V388 HydrophobicContact CD1-CG2 3.7Å; I357-V388 HydrophobicContact CG1-CG2 3.85Å; I357-V388 HydrophobicContact CG2-CG2 4.09Å; I357-F390 HydrophobicContact CD1-CB 3.91Å; I357-F390 HydrophobicContact CD1-CD1 3.69Å; I357-F390 HydrophobicContact CD1-CE1 4.48Å; I357-F390 HydrophobicContact CD1-CG 3.83Å; I357-F390 HydrophobicContact CG2-CD1 4.26Å; I357-F390 HydrophobicContact CG2-CE1 4.16Å; I357-V408 HydrophobicContact CD1-CG1 4.29Å; I357-V408 HydrophobicContact CD1-CG2 4.14Å
358D82.8Confident84.2Confident25 Ų2543.7 Ų43.713%0.13421%0.208CC..EExtended strand (participates in β ladder)trans-95.7134171.5173.225.1000109.6C346 F348 G360C346-D358 PolarHBondContact N-O 3.08Å; C346-D358 PolarHBondContact O-N 3.34Å; F348-D358 HydrophobicContact CB-CB 3.84Å; F348-D358 HydrophobicContact CD2-CB 4.34Å; F348-D358 HydrophobicContact CG-CB 4.4Å; D358-G360 WeakPolarHBondContact OD1-CA 3.4Å; D358-G360 PolarHBondContact OD1-N 2.89Å
359L74.8Confident84.4Confident49 Ų4944.7 Ų44.726%0.25721%0.21SC..  trans-105-1179.7-48.5-173.9000112.4I340 I357 E363 V365 F390I340-L359 HydrophobicContact CD1-CD1 4.11Å; I357-L359 HydrophobicContact CG2-CD2 4.09Å; L359-E363 HydrophobicContact CB-CB 4.2Å; L359-E363 HydrophobicContact CD1-CB 4.31Å; L359-E363 PolarHBondContact N-O 2.87Å; L359-E363 VanDerWaalsContact N-O 3.12Å; L359-V365 HydrophobicContact CD1-CG2 3.83Å; L359-V365 HydrophobicContact CD2-CG2 4.06Å; L359-V365 HydrophobicContact CG-CG2 4.09Å; L359-F390 HydrophobicContact CD1-CZ 4.05Å; L359-F390 HydrophobicContact CD2-CE1 3.47Å; L359-F390 VanDerWaalsContact CD2-CE1 3.47Å; L359-F390 HydrophobicContact CD2-CZ 3.4Å; L359-F390 VanDerWaalsContact CD2-CZ 3.4Å; L359-F390 HydrophobicContact CG-CZ 4.37Å
360G62.9Low84.3Confident16 Ų1646.5 Ų46.517%0.16522%0.223CC..SBendtrans87.8168.5-163.900000112.2D358 H362 E363D358-G360 WeakPolarHBondContact OD1-CA 3.4Å; D358-G360 PolarHBondContact OD1-N 2.89Å; G360-H362 PolarHBondContact O-N 2.93Å; G360-E363 PolarHBondContact O-N 2.77Å; G360-E363 VanDerWaalsContact O-N 3.07Å
361F60.7Low83.9Confident115 Ų11547.8 Ų47.850%0.50423%0.229SC..THydrogen-bonded Turntrans52.618.1175.7-52.4-73.1000116.4R147 L148 E363R147-F361 PolarHBondContact NE-O 2.72Å; L148-F361 HydrophobicContact CD2-CD1 3.84Å; L148-F361 HydrophobicContact CD2-CE1 3.8Å; F361-E363 VanDerWaalsContact C-N 3.32Å
362H60.7Low83.6Confident14 Ų1445.5 Ų45.57%0.06522%0.215CC..THydrogen-bonded Turntrans72.916.4-179.5-49.5-89.7000114.6L139 G151 Q153 G360 H364L139-H362 WeakPolarHBondContact CD2-CE1 3.22Å; L139-H362 WeakPolarHBondContact CD2-NE2 3.2Å; L139-H362 WeakPolarHBondContact CG-NE2 3.38Å; G151-H362 VanDerWaalsContact C-NE2 3.29Å; G151-H362 PolarHBondContact O-NE2 3.24Å; Q153-H362 WeakPolarHBondContact CA-CE1 3.39Å; Q153-H362 WeakPolarHBondContact CB-CE1 3.46Å; Q153-H362 WeakPolarHBondContact CG-CE1 3.38Å; Q153-H362 PolarHBondContact N-CE1 3.12Å; G360-H362 PolarHBondContact O-N 2.93Å; H362-H364 PolarHBondContact O-ND1 3.08Å
363E71.5Confident83.1Confident45 Ų4547.9 Ų47.921%0.2123%0.23CC..  trans-77.8121.5164.5-70.1-90.3134.500109.2L359 G360 F361 K402 W403L359-E363 HydrophobicContact CB-CB 4.2Å; L359-E363 HydrophobicContact CD1-CB 4.31Å; L359-E363 PolarHBondContact N-O 2.87Å; L359-E363 VanDerWaalsContact N-O 3.12Å; G360-E363 PolarHBondContact O-N 2.77Å; G360-E363 VanDerWaalsContact O-N 3.07Å; F361-E363 VanDerWaalsContact C-N 3.32Å; E363-K402 WeakPolarHBondContact OE1-CD 3.44Å; E363-K402 IonicContact OE1-NZ 3.34Å; E363-K402 PolarHBondContact OE1-NZ 2.84Å; E363-K402 WeakPolarHBondContact OE2-CD 3.42Å; E363-K402 IonicContact OE2-NZ 3.97Å; E363-K402 PolarHBondContact OE2-NZ 2.58Å; E363-W403 PolarHBondContact OE2-NE1 2.85Å
364H82.1Confident82.5Confident12 Ų1251.9 Ų51.96%0.05625%0.251CS..EExtended strand (participates in β ladder)trans-126.4142.2-173.8-65.797.7000111.6I356 I357 H362 W403I356-H364 HydrophobicContact CG2-CB 3.96Å; I357-H364 WeakPolarHBondContact O-CA 3.37Å; H362-H364 PolarHBondContact O-ND1 3.08Å; H364-W403 PolarHBondContact O-N 2.8Å
365V87.5Confident82.1Confident0 Ų048 Ų480%024%0.238CC..EExtended strand (participates in β ladder)trans-115.8121.2176.3-170.90000109.9I356 I357 L359 F390 A392 W403 A405I356-V365 CarbonylContact C-O 3.56Å; I356-V365 WeakPolarHBondContact CA-O 3.28Å; I357-V365 HydrophobicContact CB-CB 4.19Å; I357-V365 PolarHBondContact N-O 2.86Å; I357-V365 PolarHBondContact O-N 3.25Å; L359-V365 HydrophobicContact CD1-CG2 3.83Å; L359-V365 HydrophobicContact CD2-CG2 4.06Å; L359-V365 HydrophobicContact CG-CG2 4.09Å; V365-F390 HydrophobicContact CB-CE2 4.48Å; V365-F390 HydrophobicContact CG1-CD2 4.17Å; V365-F390 HydrophobicContact CG1-CE2 4.27Å; V365-F390 HydrophobicContact CG2-CD2 4.31Å; V365-F390 HydrophobicContact CG2-CE1 4.48Å; V365-F390 HydrophobicContact CG2-CE2 3.65Å; V365-F390 HydrophobicContact CG2-CZ 3.76Å; V365-A392 HydrophobicContact CG1-CB 3.71Å; V365-W403 WeakPolarHBondContact CA-O 3.46Å; V365-W403 HydrophobicContact CB-CB 4.15Å; V365-W403 HydrophobicContact CG1-CB 4Å; V365-W403 HydrophobicContact CG2-CB 3.85Å; V365-W403 HydrophobicContact CG2-CG 4.37Å; V365-A405 HydrophobicContact CG1-CB 3.94Å
366F91.3Very high81.9Confident58 Ų5853 Ų5325%0.25427%0.268SS..EExtended strand (participates in β ladder)trans-83133.3172170.8-92.4000110.8W354 I356 D368 A401 W403 R404 A405W354-F366 HydrophobicContact CB-CE2 3.55Å; W354-F366 HydrophobicContact CB-CZ 3.85Å; W354-F366 HydrophobicContact CD2-CE2 4.42Å; W354-F366 HydrophobicContact CE3-CE2 4.49Å; W354-F366 HydrophobicContact CG-CE2 4.05Å; I356-F366 HydrophobicContact CD1-CB 4.14Å; I356-F366 HydrophobicContact CD1-CD2 4.12Å; F366-D368 HydrophobicContact CE1-CB 3.96Å; F366-D368 HydrophobicContact CZ-CB 4.23Å; F366-A401 HydrophobicContact CB-CB 3.67Å; F366-W403 PolarHBondContact N-O 2.92Å; F366-R404 HydrophobicContact CD1-CG 4.48Å; F366-R404 CarbonylContact O-C 3.58Å; F366-R404 WeakPolarHBondContact O-CA 3.34Å; F366-A405 PolarHBondContact O-N 3.48Å
367F92.2Very high81.8Confident0 Ų053.1 Ų53.10%027%0.27CS..EExtended strand (participates in β ladder)trans-130146.217372.6-85.6000111.6I347 W354 G355 I357 L371 F372 L378 F382 A405 V408I347-F367 HydrophobicContact CD1-CE1 3.63Å; I347-F367 HydrophobicContact CD1-CZ 3.58Å; W354-F367 CarbonylContact C-O 3.47Å; W354-F367 VanDerWaalsContact CA-O 3.26Å; W354-F367 WeakPolarHBondContact CA-O 3.27Å; G355-F367 VanDerWaalsContact CA-CE1 3.41Å; G355-F367 PolarHBondContact N-O 2.83Å; G355-F367 VanDerWaalsContact O-CD1 3.3Å; G355-F367 WeakPolarHBondContact O-CD1 3.37Å; G355-F367 PolarHBondContact O-N 2.79Å; I357-F367 HydrophobicContact CD1-CD1 4.13Å; I357-F367 HydrophobicContact CG1-CD1 3.74Å; I357-F367 HydrophobicContact CG1-CE1 3.86Å; F367-L371 HydrophobicContact CB-CD1 4.05Å; F367-F372 HydrophobicContact CD2-CE2 4.07Å; F367-F372 HydrophobicContact CD2-CZ 4.47Å; F367-F372 HydrophobicContact CE2-CE2 4.38Å; F367-L378 HydrophobicContact CD2-CD1 4.21Å; F367-L378 HydrophobicContact CE2-CD1 3.86Å; F367-L378 HydrophobicContact CE2-CD2 4.47Å; F367-F382 HydrophobicContact CE2-CD2 4.14Å; F367-F382 HydrophobicContact CE2-CE2 4.28Å; F367-F382 HydrophobicContact CZ-CD2 4.48Å; F367-A405 HydrophobicContact CB-CB 3.68Å; F367-V408 HydrophobicContact CB-CG2 3.75Å; F367-V408 HydrophobicContact CD2-CG2 4.38Å; F367-V408 HydrophobicContact CG-CG2 4.12Å
368D91.5Very high82Confident48 Ų4853.1 Ų53.126%0.25727%0.27SS..EExtended strand (participates in β ladder)trans-118.6151.5-171.6-172.1-86.8000111.4F366 S370 L371F366-D368 HydrophobicContact CE1-CB 3.96Å; F366-D368 HydrophobicContact CZ-CB 4.23Å; D368-S370 PolarHBondContact O-N 2.84Å; D368-S370 WeakPolarHBondContact OD1-CB 3.43Å; D368-S370 PolarHBondContact OD1-N 2.77Å; D368-S370 PolarHBondContact OD1-OG 2.8Å; D368-L371 WeakPolarHBondContact O-CB 3.32Å; D368-L371 WeakPolarHBondContact O-CG 3.49Å; D368-L371 PolarHBondContact O-N 3.21Å; D368-L371 VanDerWaalsContact O-N 3.08Å
369R91.3Very high82.4Confident82 Ų8255.2 Ų55.231%0.30928%0.283SS..G310 helixtrans-60.2-23.8178.2-176.7-122.464.489.8-3.4113L353 L371 F372 V375 L378L353-R369 VanDerWaalsContact O-CB 3.26Å; L353-R369 WeakPolarHBondContact O-CB 3.47Å; L353-R369 PolarHBondContact O-N 2.92Å; R369-L371 PolarHBondContact O-N 3.46Å; R369-F372 PolarHBondContact O-N 2.84Å; R369-F372 VanDerWaalsContact O-N 3.12Å; R369-V375 VanDerWaalsContact CD-O 3.27Å; R369-V375 WeakPolarHBondContact CD-O 3.38Å; R369-V375 WeakPolarHBondContact CG-O 3.45Å; R369-V375 PolarHBondContact NH1-O 3.3Å; R369-L378 HydrophobicContact CB-CD1 4.1Å; R369-L378 HydrophobicContact CB-CD2 4.38Å; R369-L378 HydrophobicContact CB-CG 4.06Å; R369-L378 HydrophobicContact CG-CG 4.36Å
370S87.3Confident83.1Confident66 Ų6660.3 Ų60.346%0.46230%0.303SS..G310 helixtrans-59.3-22.3172.453.30000114.7D368 F372D368-S370 PolarHBondContact O-N 2.84Å; D368-S370 WeakPolarHBondContact OD1-CB 3.43Å; D368-S370 PolarHBondContact OD1-N 2.77Å; D368-S370 PolarHBondContact OD1-OG 2.8Å; S370-F372 PolarHBondContact O-N 3.02Å
371L84.4Confident84.3Confident54 Ų5463.8 Ų63.828%0.28332%0.315SS..G310 helixtrans-67.1-15.7174.5-58.7-177000113.2F367 D368 R369 A405 V408F367-L371 HydrophobicContact CB-CD1 4.05Å; D368-L371 WeakPolarHBondContact O-CB 3.32Å; D368-L371 WeakPolarHBondContact O-CG 3.49Å; D368-L371 PolarHBondContact O-N 3.21Å; D368-L371 VanDerWaalsContact O-N 3.08Å; R369-L371 PolarHBondContact O-N 3.46Å; L371-A405 HydrophobicContact CD1-CB 3.81Å; L371-V408 HydrophobicContact CD1-CG2 4.03Å
372F86.3Confident85.8Confident33 Ų3358.6 Ų58.615%0.14529%0.292CS..SBendtrans-118.2116-171.7-56.1-87.1000112F367 R369 S370 V375 L378 F382 V408F367-F372 HydrophobicContact CD2-CE2 4.07Å; F367-F372 HydrophobicContact CD2-CZ 4.47Å; F367-F372 HydrophobicContact CE2-CE2 4.38Å; R369-F372 PolarHBondContact O-N 2.84Å; R369-F372 VanDerWaalsContact O-N 3.12Å; S370-F372 PolarHBondContact O-N 3.02Å; F372-V375 HydrophobicContact CB-CB 3.7Å; F372-V375 HydrophobicContact CB-CG2 3.61Å; F372-V375 HydrophobicContact CG-CG2 4.3Å; F372-L378 HydrophobicContact CD2-CD2 3.56Å; F372-L378 HydrophobicContact CE2-CD2 3.57Å; F372-L378 HydrophobicContact CG-CD2 4.4Å; F372-L378 HydrophobicContact CZ-CD2 4.43Å; F372-F382 AromaticContact CE1-CE2 3.8Å; F372-F382 HydrophobicContact CE1-CE2 3.8Å; F372-F382 AromaticContact CE1-CZ 3.61Å; F372-F382 HydrophobicContact CE1-CZ 3.61Å; F372-F382 AromaticContact CE2-CE2 3.98Å; F372-F382 HydrophobicContact CE2-CE2 3.98Å; F372-F382 HydrophobicContact CE2-CZ 4.43Å; F372-F382 AromaticContact CZ-CE2 3.39Å; F372-F382 HydrophobicContact CZ-CE2 3.39Å; F372-F382 AromaticContact CZ-CZ 3.43Å; F372-F382 HydrophobicContact CZ-CZ 3.43Å; F372-F382 VanDerWaalsContact CZ-CZ 3.43Å; F372-V408 HydrophobicContact CE1-CB 4.48Å; F372-V408 VanDerWaalsContact CE1-O 3.31Å; F372-V408 WeakPolarHBondContact CE1-O 3.49Å; F372-V408 HydrophobicContact CZ-CB 3.84Å; F372-V408 HydrophobicContact CZ-CG1 4.2Å
373K79.7Confident87.2Confident196 Ų19665.4 Ų65.485%0.85232%0.322SS*.THydrogen-bonded Turntrans-63.4140.5166.9-63.5-177.7-178.9179.90109.2V375K373-V375 PolarHBondContact O-N 3.24Å
374N80.5Confident88Confident165 Ų16568.4 Ų68.488%0.88234%0.338SS*.THydrogen-bonded Turntrans62.40.5177.1-54.5-11.4000117.7
375V85.2Confident88.2Confident11 Ų1176.3 Ų76.37%0.06737%0.372CS..  trans-88.9123.4175.5178.10000111.2R369 F372 K373 L378 H381R369-V375 VanDerWaalsContact CD-O 3.27Å; R369-V375 WeakPolarHBondContact CD-O 3.38Å; R369-V375 WeakPolarHBondContact CG-O 3.45Å; R369-V375 PolarHBondContact NH1-O 3.3Å; F372-V375 HydrophobicContact CB-CB 3.7Å; F372-V375 HydrophobicContact CB-CG2 3.61Å; F372-V375 HydrophobicContact CG-CG2 4.3Å; K373-V375 PolarHBondContact O-N 3.24Å; V375-L378 HydrophobicContact CG1-CD2 4.02Å; V375-H381 VanDerWaalsContact CG1-CD2 3.47Å; V375-H381 WeakPolarHBondContact CG1-CD2 3.26Å
376T86.5Confident88.2Confident104 Ų10478.7 Ų78.764%0.63838%0.383SS*.SBendtrans-101.2-16178.4520000114.1
377D90.1Very high87.8Confident23 Ų2379.6 Ų79.612%0.12339%0.393CS..  trans-154.3103.3-172.2-177.8-8.2000110.6R352 T379 K380 H381R352-D377 HydrophobicContact CG-CB 3.88Å; R352-D377 WeakPolarHBondContact O-CA 3.07Å; D377-T379 PolarHBondContact O-N 2.77Å; D377-T379 WeakPolarHBondContact OD1-CB 3.21Å; D377-T379 PolarHBondContact OD1-N 2.88Å; D377-T379 PolarHBondContact OD1-OG1 3Å; D377-K380 HydrophobicContact CB-CD 4.02Å; D377-K380 HydrophobicContact CB-CG 4.24Å; D377-K380 PolarHBondContact O-N 2.86Å; D377-K380 WeakPolarHBondContact OD2-CE 3.45Å; D377-K380 IonicContact OD2-NZ 2.7Å; D377-H381 PolarHBondContact O-CD2 3.44Å
378L91.9Very high87.4Confident0 Ų079.6 Ų79.60%039%0.393CS..Hα-helixtrans-63.2-23.2-178-63.5173.9000113.2V350 R352 F367 R369 F372 V375 K380 H381 F382V350-L378 HydrophobicContact CG2-CB 3.58Å; R352-L378 PolarHBondContact O-N 2.85Å; F367-L378 HydrophobicContact CD2-CD1 4.21Å; F367-L378 HydrophobicContact CE2-CD1 3.86Å; F367-L378 HydrophobicContact CE2-CD2 4.47Å; R369-L378 HydrophobicContact CB-CD1 4.1Å; R369-L378 HydrophobicContact CB-CD2 4.38Å; R369-L378 HydrophobicContact CB-CG 4.06Å; R369-L378 HydrophobicContact CG-CG 4.36Å; F372-L378 HydrophobicContact CD2-CD2 3.56Å; F372-L378 HydrophobicContact CE2-CD2 3.57Å; F372-L378 HydrophobicContact CG-CD2 4.4Å; F372-L378 HydrophobicContact CZ-CD2 4.43Å; V375-L378 HydrophobicContact CG1-CD2 4.02Å; L378-K380 PolarHBondContact O-N 3.12Å; L378-H381 PolarHBondContact O-N 3.06Å; L378-F382 HydrophobicContact CB-CD2 4.39Å; L378-F382 HydrophobicContact CD2-CD2 4.19Å; L378-F382 HydrophobicContact CD2-CE2 4.06Å; L378-F382 PolarHBondContact O-N 2.81Å
379T91.8Very high87.1Confident68 Ų6878.4 Ų78.442%0.41739%0.386SS..Hα-helixtrans-69.3-17.2179.871.20000113.1V350 D377V350-T379 HydrophobicContact CG2-CG2 4.39Å; D377-T379 PolarHBondContact O-N 2.77Å; D377-T379 WeakPolarHBondContact OD1-CB 3.21Å; D377-T379 PolarHBondContact OD1-N 2.88Å; D377-T379 PolarHBondContact OD1-OG1 3Å
380K90.6Very high86.5Confident156 Ų15674.5 Ų74.568%0.67837%0.371SS*.Hα-helixtrans-84.5-23.7171.5-61.7177-175163.40112.7D377 L378D377-K380 HydrophobicContact CB-CD 4.02Å; D377-K380 HydrophobicContact CB-CG 4.24Å; D377-K380 PolarHBondContact O-N 2.86Å; D377-K380 WeakPolarHBondContact OD2-CE 3.45Å; D377-K380 IonicContact OD2-NZ 2.7Å; L378-K380 PolarHBondContact O-N 3.12Å
381H87.5Confident85.8Confident90 Ų9072.5 Ų72.542%0.41736%0.355SS..Hα-helixtrans-98.8-29.2-176.6-71.5-98.1000112.8V375 D377 L378 K410V375-H381 VanDerWaalsContact CG1-CD2 3.47Å; V375-H381 WeakPolarHBondContact CG1-CD2 3.26Å; D377-H381 PolarHBondContact O-CD2 3.44Å; L378-H381 PolarHBondContact O-N 3.06Å; H381-K410 WeakPolarHBondContact O-CE 3.11Å; H381-K410 PolarHBondContact O-NZ 3.2Å
382F91.2Very high85.4Confident6 Ų670 Ų703%0.02634%0.342CS..  trans-127.3141.8-177.6-62.3-77.8000112.2I347 V350 F367 F372 L378 E386 V388 V408 K410I347-F382 HydrophobicContact CD1-CB 4.31Å; I347-F382 HydrophobicContact CD1-CD1 4.14Å; I347-F382 HydrophobicContact CD1-CG 4.34Å; I347-F382 HydrophobicContact CG1-CB 4.31Å; I347-F382 HydrophobicContact CG1-CD1 4.38Å; V350-F382 HydrophobicContact CG2-CB 4.34Å; F367-F382 HydrophobicContact CE2-CD2 4.14Å; F367-F382 HydrophobicContact CE2-CE2 4.28Å; F367-F382 HydrophobicContact CZ-CD2 4.48Å; F372-F382 AromaticContact CE1-CE2 3.8Å; F372-F382 HydrophobicContact CE1-CE2 3.8Å; F372-F382 AromaticContact CE1-CZ 3.61Å; F372-F382 HydrophobicContact CE1-CZ 3.61Å; F372-F382 AromaticContact CE2-CE2 3.98Å; F372-F382 HydrophobicContact CE2-CE2 3.98Å; F372-F382 HydrophobicContact CE2-CZ 4.43Å; F372-F382 AromaticContact CZ-CE2 3.39Å; F372-F382 HydrophobicContact CZ-CE2 3.39Å; F372-F382 AromaticContact CZ-CZ 3.43Å; F372-F382 HydrophobicContact CZ-CZ 3.43Å; F372-F382 VanDerWaalsContact CZ-CZ 3.43Å; L378-F382 HydrophobicContact CB-CD2 4.39Å; L378-F382 HydrophobicContact CD2-CD2 4.19Å; L378-F382 HydrophobicContact CD2-CE2 4.06Å; L378-F382 PolarHBondContact O-N 2.81Å; F382-E386 VanDerWaalsContact CA-OE2 3.32Å; F382-E386 WeakPolarHBondContact CA-OE2 3.45Å; F382-V388 HydrophobicContact CD1-CG1 3.67Å; F382-V388 HydrophobicContact CE1-CG1 3.61Å; F382-V408 HydrophobicContact CE1-CG1 4.34Å; F382-V408 HydrophobicContact CZ-CG1 4.27Å; F382-K410 HydrophobicContact CE1-CG 4.15Å
383K90.9Very high84.7Confident156 Ų15671.6 Ų71.668%0.67835%0.351SS*.  trans-110.9149.7175.1-63.5174.8-177.6173.30110.9I347 E386I347-K383 VanDerWaalsContact CB-O 3.26Å; I347-K383 WeakPolarHBondContact CB-O 3.31Å; I347-K383 WeakPolarHBondContact CG2-O 3.43Å; K383-E386 HydrophobicContact CB-CB 4.22Å; K383-E386 PolarHBondContact N-OE2 2.99Å; K383-E386 WeakPolarHBondContact O-CB 3.41Å; K383-E386 PolarHBondContact O-N 2.83Å
384I88.5Confident84.6Confident109 Ų10966.5 Ų66.556%0.55933%0.333SS*.THydrogen-bonded Turntrans-63.2137.7172.6-58.2175000109.2F348 V350 E386F348-I384 WeakPolarHBondContact O-CG2 3.14Å; V350-I384 HydrophobicContact CG1-CG1 4.44Å; I384-E386 PolarHBondContact O-N 3.39Å
385K85Confident84.4Confident178 Ų17859.4 Ų59.477%0.77430%0.297SS*.THydrogen-bonded Turntrans66.28.9-167.9-50.2-172-179-175.40116I347I347-K385 PolarHBondContact O-N 3.03Å
386E88.1Confident84Confident49 Ų4962.4 Ų62.423%0.22932%0.317CS..  trans-71.4139.2170-169162.4-144.700110.5C346 I347 F382 K383 I384 K410C346-E386 WeakPolarHBondContact CA-O 3.21Å; I347-E386 HydrophobicContact CG1-CB 4.28Å; I347-E386 WeakPolarHBondContact CG1-O 3.49Å; I347-E386 PolarHBondContact N-O 2.96Å; F382-E386 VanDerWaalsContact CA-OE2 3.32Å; F382-E386 WeakPolarHBondContact CA-OE2 3.45Å; K383-E386 HydrophobicContact CB-CB 4.22Å; K383-E386 PolarHBondContact N-OE2 2.99Å; K383-E386 WeakPolarHBondContact O-CB 3.41Å; K383-E386 PolarHBondContact O-N 2.83Å; I384-E386 PolarHBondContact O-N 3.39Å; E386-K410 WeakPolarHBondContact OE1-CE 3.39Å; E386-K410 IonicContact OE1-NZ 2.74Å; E386-K410 PolarHBondContact OE1-NZ 3.02Å; E386-K410 IonicContact OE2-NZ 2.75Å; E386-K410 PolarHBondContact OE2-NZ 2.81Å
387V82.8Confident83.4Confident77 Ų7767.7 Ų67.747%0.46733%0.331SS..EExtended strand (participates in β ladder)trans-82.8131.3175.3178.80000109K344 G345K344-V387 HydrophobicContact CB-CG1 4.5Å; G345-V387 WeakPolarHBondContact O-CA 3.49Å
388V85.2Confident82.8Confident0 Ų073.4 Ų73.40%036%0.361CS..EExtended strand (participates in β ladder)trans-131.9153.5176-66.40000110.7K344 G345 I347 I357 F382 V408K344-V388 WeakPolarHBondContact CA-O 3.23Å; G345-V388 PolarHBondContact N-O 2.62Å; G345-V388 PolarHBondContact O-N 2.91Å; I347-V388 HydrophobicContact CD1-CG1 3.93Å; I347-V388 HydrophobicContact CD1-CG2 3.75Å; I347-V388 HydrophobicContact CG1-CG1 3.97Å; I347-V388 HydrophobicContact CG1-CG2 4.19Å; I357-V388 HydrophobicContact CD1-CG2 3.7Å; I357-V388 HydrophobicContact CG1-CG2 3.85Å; I357-V388 HydrophobicContact CG2-CG2 4.09Å; F382-V388 HydrophobicContact CD1-CG1 3.67Å; F382-V388 HydrophobicContact CE1-CG1 3.61Å; V388-V408 HydrophobicContact CB-CG1 4.12Å; V388-V408 HydrophobicContact CG1-CG1 4.48Å; V388-V408 HydrophobicContact CG2-CG1 4.25Å
389Y83.6Confident81.9Confident23 Ų2375.4 Ų75.49%0.0938%0.376CS..EExtended strand (participates in β ladder)trans-102.1148.3169.8-67-81.5000109.5Q343 K344 V408 W409 E411 K523Q343-Y389 CarbonylContact O-C 3.57Å; Q343-Y389 WeakPolarHBondContact O-CA 3.39Å; K344-Y389 HydrophobicContact CB-CD1 3.86Å; K344-Y389 HydrophobicContact CB-CE1 3.8Å; Y389-V408 CarbonylContact O-C 3.57Å; Y389-V408 WeakPolarHBondContact O-CA 3.48Å; Y389-W409 PolarHBondContact N-O 3.02Å; Y389-W409 PolarHBondContact O-N 2.63Å; Y389-E411 HydrophobicContact CE2-CB 3.95Å; Y389-E411 HydrophobicContact CE2-CG 4.1Å; Y389-E411 VanDerWaalsContact CE2-OE1 3.3Å; Y389-E411 WeakPolarHBondContact CE2-OE1 3.08Å; Y389-E411 PolarHBondContact OH-OE1 2.88Å; Y389-K523 PolarHBondContact OH-NZ 2.88Å
390F78.8Confident80.9Confident0 Ų081.3 Ų81.30%039%0.39CS..EExtended strand (participates in β ladder)trans-154.4156.6-177.168.1-87.1000113.9I340 S342 Q343 I357 L359 V365 A392 C407 V408I340-F390 HydrophobicContact CB-CE2 4.24Å; I340-F390 HydrophobicContact CD1-CE2 4.38Å; I340-F390 HydrophobicContact CG2-CE2 3.67Å; I340-F390 HydrophobicContact CG2-CZ 4.11Å; S342-F390 PolarHBondContact N-O 3.14Å; Q343-F390 HydrophobicContact CB-CE1 3.95Å; Q343-F390 HydrophobicContact CB-CE2 4.13Å; Q343-F390 HydrophobicContact CB-CZ 3.62Å; Q343-F390 HydrophobicContact CG-CE1 3.88Å; Q343-F390 HydrophobicContact CG-CE2 4.5Å; Q343-F390 HydrophobicContact CG-CZ 3.58Å; Q343-F390 PolarHBondContact N-O 3.01Å; Q343-F390 WeakPolarHBondContact O-CD1 3.5Å; Q343-F390 WeakPolarHBondContact O-CE1 3.26Å; Q343-F390 PolarHBondContact O-N 2.94Å; I357-F390 HydrophobicContact CD1-CB 3.91Å; I357-F390 HydrophobicContact CD1-CD1 3.69Å; I357-F390 HydrophobicContact CD1-CE1 4.48Å; I357-F390 HydrophobicContact CD1-CG 3.83Å; I357-F390 HydrophobicContact CG2-CD1 4.26Å; I357-F390 HydrophobicContact CG2-CE1 4.16Å; L359-F390 HydrophobicContact CD1-CZ 4.05Å; L359-F390 HydrophobicContact CD2-CE1 3.47Å; L359-F390 VanDerWaalsContact CD2-CE1 3.47Å; L359-F390 HydrophobicContact CD2-CZ 3.4Å; L359-F390 VanDerWaalsContact CD2-CZ 3.4Å; L359-F390 HydrophobicContact CG-CZ 4.37Å; V365-F390 HydrophobicContact CB-CE2 4.48Å; V365-F390 HydrophobicContact CG1-CD2 4.17Å; V365-F390 HydrophobicContact CG1-CE2 4.27Å; V365-F390 HydrophobicContact CG2-CD2 4.31Å; V365-F390 HydrophobicContact CG2-CE1 4.48Å; V365-F390 HydrophobicContact CG2-CE2 3.65Å; V365-F390 HydrophobicContact CG2-CZ 3.76Å; F390-A392 HydrophobicContact CD2-CB 3.86Å; F390-A392 HydrophobicContact CE2-CB 3.99Å; F390-C407 CarbonylContact C-O 3.55Å; F390-C407 WeakPolarHBondContact CA-O 3.44Å; F390-C407 VanDerWaalsContact CB-O 3.3Å; F390-C407 WeakPolarHBondContact CB-O 3.44Å; F390-V408 HydrophobicContact CB-CG2 3.97Å
391N73.5Confident80.4Confident25 Ų2574.2 Ų74.213%0.13436%0.36CS..EExtended strand (participates in β ladder)trans-108.7142.6160.9-66.9-21.6000107.7I340 V341 S342 A405 T406 C407I340-N391 WeakPolarHBondContact O-CA 3.26Å; V341-N391 WeakPolarHBondContact CA-OD1 3.47Å; S342-N391 PolarHBondContact N-OD1 3.48Å; S342-N391 PolarHBondContact OG-OD1 2.94Å; N391-A405 CarbonylContact O-C 3.58Å; N391-A405 WeakPolarHBondContact O-CA 3.43Å; N391-T406 WeakPolarHBondContact CB-OG1 3.48Å; N391-T406 PolarHBondContact O-N 3Å; N391-T406 PolarHBondContact O-OG1 2.87Å; N391-C407 HydrophobicContact CB-CB 4.16Å; N391-C407 PolarHBondContact N-O 3.46Å; N391-C407 PolarHBondContact O-N 3.32Å
392A75.5Confident80Confident0 Ų072.4 Ų72.40%035%0.351CS..EExtended strand (participates in β ladder)trans-148.8151-179.500000113.1L339 I340 V365 F390 W403 R404L339-A392 CarbonylContact C-O 3.57Å; L339-A392 VanDerWaalsContact CA-O 3.26Å; L339-A392 WeakPolarHBondContact CA-O 3.36Å; L339-A392 WeakPolarHBondContact CD1-O 3.44Å; I340-A392 HydrophobicContact CB-CB 4.44Å; I340-A392 PolarHBondContact N-O 2.8Å; I340-A392 PolarHBondContact O-N 3.21Å; V365-A392 HydrophobicContact CG1-CB 3.71Å; F390-A392 HydrophobicContact CD2-CB 3.86Å; F390-A392 HydrophobicContact CE2-CB 3.99Å; A392-W403 HydrophobicContact CB-CB 4.23Å; A392-R404 CarbonylContact C-O 3.48Å; A392-R404 WeakPolarHBondContact CA-O 3.46Å; A392-R404 WeakPolarHBondContact CB-O 3.28Å
393I72Confident79.7Confident68 Ų6872.1 Ų72.135%0.34935%0.35SS..EExtended strand (participates in β ladder)trans-108.5162.3172.154.7173.3000111.1G338 L339 A395 W403 R404 T406G338-I393 CarbonylContact O-C 3.52Å; G338-I393 WeakPolarHBondContact O-CA 3.45Å; L339-I393 HydrophobicContact CD1-CG2 3.59Å; I393-A395 PolarHBondContact O-N 3.4Å; I393-W403 CarbonylContact O-C 3.58Å; I393-W403 WeakPolarHBondContact O-CA 3.38Å; I393-R404 HydrophobicContact CG1-CB 4.37Å; I393-R404 PolarHBondContact N-O 2.88Å; I393-R404 PolarHBondContact O-N 3.25Å; I393-T406 HydrophobicContact CB-CG2 4.49Å; I393-T406 HydrophobicContact CD1-CG2 4.3Å; I393-T406 HydrophobicContact CG1-CG2 4Å; I393-T406 HydrophobicContact CG2-CG2 3.94Å
394L77Confident79.4Confident88 Ų8870.1 Ų70.146%0.46134%0.338SS..EExtended strand (participates in β ladder)trans-54.4128.8164.4-108.6174.2000108.9G338 K402 W403G338-L394 PolarHBondContact O-N 2.96Å; L394-K402 HydrophobicContact CD2-CG 4.23Å; L394-W403 HydrophobicContact CG-CZ3 4.09Å
395A77.1Confident79.3Confident16 Ų1665 Ų6513%0.13231%0.313CS..PPolyproline II helixtrans-78.7160.6179.200000111.5I393 S399 A401 K402 R404I393-A395 PolarHBondContact O-N 3.4Å; A395-S399 VanDerWaalsContact CB-CB 3.44Å; A395-S399 WeakPolarHBondContact CB-OG 3.19Å; A395-A401 VanDerWaalsContact CB-O 3.23Å; A395-A401 WeakPolarHBondContact CB-O 3.42Å; A395-K402 WeakPolarHBondContact CB-O 3.41Å; A395-K402 PolarHBondContact N-O 3.07Å; A395-R404 HydrophobicContact CB-CB 4.09Å
396P76.7Confident79Confident74 Ų7459.8 Ų59.848%0.48130%0.296SS..PPolyproline II helixtrans-52.2151.6168.8-27.937.3000112.6D398 S399P396-D398 WeakPolarHBondContact CB-OD1 3.27Å; P396-D398 PolarHBondContact O-N 3.13Å; P396-D398 VanDerWaalsContact O-N 3.09Å; P396-S399 WeakPolarHBondContact O-CB 3.3Å; P396-S399 PolarHBondContact O-N 3.18Å
397K73.2Confident78.7Confident215 Ų21559.8 Ų59.894%0.93530%0.3SS*.THydrogen-bonded Turntrans-64.6-17.6-173.1-67.5-174.5178-177.80114.4
398D77.3Confident78.7Confident143 Ų14356.5 Ų56.577%0.76528%0.28SS*.THydrogen-bonded Turntrans-88.7-7.5174.457-63.7000113.7P396P396-D398 WeakPolarHBondContact CB-OD1 3.27Å; P396-D398 PolarHBondContact O-N 3.13Å; P396-D398 VanDerWaalsContact O-N 3.09Å
399S74Confident78.6Confident43 Ų4357.9 Ų57.930%0.30129%0.286SS..  trans-66.2142.4175.3178.50000112.3A395 P396 A401A395-S399 VanDerWaalsContact CB-CB 3.44Å; A395-S399 WeakPolarHBondContact CB-OG 3.19Å; P396-S399 WeakPolarHBondContact O-CB 3.3Å; P396-S399 PolarHBondContact O-N 3.18Å; S399-A401 VanDerWaalsContact C-N 3.33Å; S399-A401 WeakPolarHBondContact CB-O 3.37Å; S399-A401 PolarHBondContact OG-N 3.28Å; S399-A401 PolarHBondContact OG-O 3.47Å
400R70.7Confident78.6Confident192 Ų19258.5 Ų58.573%0.72529%0.289SS*.SBendtrans-76.5-19.8173.3-62.2-176.3-178.1-166.30113.7
401A80.6Confident78.2Confident6 Ų664.3 Ų64.35%0.0532%0.316CS..SBendtrans-110.3139.8174.700000109.3F366 A395 S399 W403F366-A401 HydrophobicContact CB-CB 3.67Å; A395-A401 VanDerWaalsContact CB-O 3.23Å; A395-A401 WeakPolarHBondContact CB-O 3.42Å; S399-A401 VanDerWaalsContact C-N 3.33Å; S399-A401 WeakPolarHBondContact CB-O 3.37Å; S399-A401 PolarHBondContact OG-N 3.28Å; S399-A401 PolarHBondContact OG-O 3.47Å; A401-W403 PolarHBondContact O-N 3.17Å
402K78.1Confident78Confident52 Ų5268.1 Ų68.123%0.22634%0.34CS..SBendtrans-59.3-35.1175.6179.2-178169.6-162.80111.6S335 E363 L394 A395S335-K402 PolarHBondContact O-NZ 3.04Å; E363-K402 WeakPolarHBondContact OE1-CD 3.44Å; E363-K402 IonicContact OE1-NZ 3.34Å; E363-K402 PolarHBondContact OE1-NZ 2.84Å; E363-K402 WeakPolarHBondContact OE2-CD 3.42Å; E363-K402 IonicContact OE2-NZ 3.97Å; E363-K402 PolarHBondContact OE2-NZ 2.58Å; L394-K402 HydrophobicContact CD2-CG 4.23Å; A395-K402 WeakPolarHBondContact CB-O 3.41Å; A395-K402 PolarHBondContact N-O 3.07Å
403W84.6Confident77.5Confident0 Ų071 Ų710%036%0.355CS..EExtended strand (participates in β ladder)trans-117.5142.7-174.8-56.7108.1000111.6I340 E363 H364 V365 F366 A392 I393 L394 A401I340-W403 HydrophobicContact CD1-CD2 3.54Å; I340-W403 VanDerWaalsContact CD1-CE2 3.46Å; I340-W403 HydrophobicContact CD1-CE3 3.98Å; I340-W403 HydrophobicContact CD1-CG 3.86Å; I340-W403 HydrophobicContact CD1-CH2 4.28Å; I340-W403 HydrophobicContact CD1-CZ2 3.86Å; I340-W403 HydrophobicContact CD1-CZ3 4.33Å; I340-W403 HydrophobicContact CG1-CD2 4.11Å; I340-W403 HydrophobicContact CG1-CE3 4.03Å; I340-W403 HydrophobicContact CG1-CH2 4.01Å; I340-W403 HydrophobicContact CG1-CZ2 4.07Å; I340-W403 HydrophobicContact CG1-CZ3 3.99Å; E363-W403 PolarHBondContact OE2-NE1 2.85Å; H364-W403 PolarHBondContact O-N 2.8Å; V365-W403 WeakPolarHBondContact CA-O 3.46Å; V365-W403 HydrophobicContact CB-CB 4.15Å; V365-W403 HydrophobicContact CG1-CB 4Å; V365-W403 HydrophobicContact CG2-CB 3.85Å; V365-W403 HydrophobicContact CG2-CG 4.37Å; F366-W403 PolarHBondContact N-O 2.92Å; A392-W403 HydrophobicContact CB-CB 4.23Å; I393-W403 CarbonylContact O-C 3.58Å; I393-W403 WeakPolarHBondContact O-CA 3.38Å; L394-W403 HydrophobicContact CG-CZ3 4.09Å; A401-W403 PolarHBondContact O-N 3.17Å
404R84.8Confident76.4Confident114 Ų11474.4 Ų74.443%0.4337%0.37SS..EExtended strand (participates in β ladder)trans-116.6121.8170.9174.6-178.9177.4-173.90.9109.2F366 A392 I393 A395F366-R404 HydrophobicContact CD1-CG 4.48Å; F366-R404 CarbonylContact O-C 3.58Å; F366-R404 WeakPolarHBondContact O-CA 3.34Å; A392-R404 CarbonylContact C-O 3.48Å; A392-R404 WeakPolarHBondContact CA-O 3.46Å; A392-R404 WeakPolarHBondContact CB-O 3.28Å; I393-R404 HydrophobicContact CG1-CB 4.37Å; I393-R404 PolarHBondContact N-O 2.88Å; I393-R404 PolarHBondContact O-N 3.25Å; A395-R404 HydrophobicContact CB-CB 4.09Å
405A87.2Confident75.1Confident2 Ų276.3 Ų76.32%0.01738%0.38CS..EExtended strand (participates in β ladder)trans-64.3140.2176.100000112.2V365 F366 F367 L371 N391 V408V365-A405 HydrophobicContact CG1-CB 3.94Å; F366-A405 PolarHBondContact O-N 3.48Å; F367-A405 HydrophobicContact CB-CB 3.68Å; L371-A405 HydrophobicContact CD1-CB 3.81Å; N391-A405 CarbonylContact O-C 3.58Å; N391-A405 WeakPolarHBondContact O-CA 3.43Å; A405-V408 HydrophobicContact CB-CG2 3.59Å
406T79Confident73.9Confident69 Ų6978.7 Ų78.742%0.42339%0.389SS..EExtended strand (participates in β ladder)trans-106.7-21.5171.454.90000111.9N391 I393N391-T406 WeakPolarHBondContact CB-OG1 3.48Å; N391-T406 PolarHBondContact O-N 3Å; N391-T406 PolarHBondContact O-OG1 2.87Å; I393-T406 HydrophobicContact CB-CG2 4.49Å; I393-T406 HydrophobicContact CD1-CG2 4.3Å; I393-T406 HydrophobicContact CG1-CG2 4Å; I393-T406 HydrophobicContact CG2-CG2 3.94Å
407C80Confident72.2Confident48 Ų4878.2 Ų78.232%0.32438%0.383SS..EExtended strand (participates in β ladder)trans-150145.5170-171.30000109F390 N391 W409F390-C407 CarbonylContact C-O 3.55Å; F390-C407 WeakPolarHBondContact CA-O 3.44Å; F390-C407 VanDerWaalsContact CB-O 3.3Å; F390-C407 WeakPolarHBondContact CB-O 3.44Å; N391-C407 HydrophobicContact CB-CB 4.16Å; N391-C407 PolarHBondContact N-O 3.46Å; N391-C407 PolarHBondContact O-N 3.32Å; C407-W409 HydrophobicContact CB-CE3 4.26Å; C407-W409 HydrophobicContact CB-CZ3 4.04Å; C407-W409 VanDerWaalsContact SG-CE3 3.58Å
408V84Confident70.5Confident8 Ų873.2 Ų73.25%0.04836%0.363CS..EExtended strand (participates in β ladder)trans-142.9132.8173.4179.40000108.6I357 F367 L371 F372 F382 V388 Y389 F390 A405I357-V408 HydrophobicContact CD1-CG1 4.29Å; I357-V408 HydrophobicContact CD1-CG2 4.14Å; F367-V408 HydrophobicContact CB-CG2 3.75Å; F367-V408 HydrophobicContact CD2-CG2 4.38Å; F367-V408 HydrophobicContact CG-CG2 4.12Å; L371-V408 HydrophobicContact CD1-CG2 4.03Å; F372-V408 HydrophobicContact CE1-CB 4.48Å; F372-V408 VanDerWaalsContact CE1-O 3.31Å; F372-V408 WeakPolarHBondContact CE1-O 3.49Å; F372-V408 HydrophobicContact CZ-CB 3.84Å; F372-V408 HydrophobicContact CZ-CG1 4.2Å; F382-V408 HydrophobicContact CE1-CG1 4.34Å; F382-V408 HydrophobicContact CZ-CG1 4.27Å; V388-V408 HydrophobicContact CB-CG1 4.12Å; V388-V408 HydrophobicContact CG1-CG1 4.48Å; V388-V408 HydrophobicContact CG2-CG1 4.25Å; Y389-V408 CarbonylContact O-C 3.57Å; Y389-V408 WeakPolarHBondContact O-CA 3.48Å; F390-V408 HydrophobicContact CB-CG2 3.97Å; A405-V408 HydrophobicContact CB-CG2 3.59Å
409W82.7Confident68.8Low29 Ų2971.5 Ų71.511%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-147.7167.9-178.566.6102.7000112.6Y389 C407 I416Y389-W409 PolarHBondContact N-O 3.02Å; Y389-W409 PolarHBondContact O-N 2.63Å; C407-W409 HydrophobicContact CB-CE3 4.26Å; C407-W409 HydrophobicContact CB-CZ3 4.04Å; C407-W409 VanDerWaalsContact SG-CE3 3.58Å; W409-I416 HydrophobicContact CB-CD1 3.57Å; W409-I416 HydrophobicContact CD2-CD1 4.05Å; W409-I416 HydrophobicContact CG-CD1 3.49Å; W409-I416 VanDerWaalsContact CG-CD1 3.49Å
410K83.7Confident67Low37 Ų3771.1 Ų71.116%0.16135%0.352CS..  trans-103.3155.4174.1-60.2-169.1179.7-166.90111.6H381 F382 E386 T412 D413H381-K410 WeakPolarHBondContact O-CE 3.11Å; H381-K410 PolarHBondContact O-NZ 3.2Å; F382-K410 HydrophobicContact CE1-CG 4.15Å; E386-K410 WeakPolarHBondContact OE1-CE 3.39Å; E386-K410 IonicContact OE1-NZ 2.74Å; E386-K410 PolarHBondContact OE1-NZ 3.02Å; E386-K410 IonicContact OE2-NZ 2.75Å; E386-K410 PolarHBondContact OE2-NZ 2.81Å; K410-T412 PolarHBondContact O-N 3.2Å; K410-D413 PolarHBondContact N-OD2 2.9Å; K410-D413 WeakPolarHBondContact O-CB 3.1Å; K410-D413 PolarHBondContact O-N 2.86Å; K410-D413 VanDerWaalsContact O-N 3.08Å
411E69.8Low65.3Low122 Ų12268.4 Ų68.457%0.5735%0.346SS*.THydrogen-bonded Turntrans-57.1-31.1169.6-158.1153.3-103.600112.5Y389 N417Y389-E411 HydrophobicContact CE2-CB 3.95Å; Y389-E411 HydrophobicContact CE2-CG 4.1Å; Y389-E411 VanDerWaalsContact CE2-OE1 3.3Å; Y389-E411 WeakPolarHBondContact CE2-OE1 3.08Å; Y389-E411 PolarHBondContact OH-OE1 2.88Å; E411-N417 PolarHBondContact O-ND2 2.89Å
412T70Confident63.3Low104 Ų10472.8 Ų72.864%0.63837%0.372SS*.THydrogen-bonded Turntrans-82.5-4.217956.40000114.8K410 Q414K410-T412 PolarHBondContact O-N 3.2Å; T412-Q414 PolarHBondContact O-N 2.8Å
413D65.1Low61.3Low60 Ų6076.2 Ų76.232%0.32139%0.392SS..  trans-70.8100.9-174.6-73.6-23.4000110K410 I415 I416 N417K410-D413 PolarHBondContact N-OD2 2.9Å; K410-D413 WeakPolarHBondContact O-CB 3.1Å; K410-D413 PolarHBondContact O-N 2.86Å; K410-D413 VanDerWaalsContact O-N 3.08Å; D413-I415 PolarHBondContact O-N 2.88Å; D413-I415 VanDerWaalsContact O-N 3.13Å; D413-I416 PolarHBondContact O-N 2.86Å; D413-I416 VanDerWaalsContact O-N 3.16Å; D413-N417 PolarHBondContact O-N 3.4Å; D413-N417 VanDerWaalsContact O-N 3.15Å; D413-N417 PolarHBondContact O-ND2 3.08Å
414Q49.4Very low59.1Low141 Ų14181.9 Ų81.966%0.65942%0.419SS*.Hα-helixtrans-62.6-25-170-67.4-169.70.500112.9T412 N417 Q418T412-Q414 PolarHBondContact O-N 2.8Å; Q414-N417 CarbonylContact O-C 3.6Å; Q414-N417 PolarHBondContact O-N 2.72Å; Q414-Q418 WeakPolarHBondContact O-CB 3.48Å; Q414-Q418 WeakPolarHBondContact O-CG 3.28Å; Q414-Q418 PolarHBondContact O-N 2.96Å
415I49.9Very low56.7Low128 Ų12880.9 Ų80.966%0.65643%0.429SS*.Hα-helixtrans-67.5-43.7178-62.1175.1000110.7D413 Q418 L419D413-I415 PolarHBondContact O-N 2.88Å; D413-I415 VanDerWaalsContact O-N 3.13Å; I415-Q418 PolarHBondContact O-N 3.07Å; I415-L419 HydrophobicContact CG2-CD1 4.05Å; I415-L419 WeakPolarHBondContact O-CB 2.86Å; I415-L419 VanDerWaalsContact O-CG 3.31Å; I415-L419 WeakPolarHBondContact O-CG 2.98Å; I415-L419 PolarHBondContact O-N 3.41Å
416I52.1Low54.1Low66 Ų6687.2 Ų87.234%0.33846%0.463SS..Hα-helixtrans-71.7-39.4176.6-66174.8000110.1W409 D413 Q418 L419 A420W409-I416 HydrophobicContact CB-CD1 3.57Å; W409-I416 HydrophobicContact CD2-CD1 4.05Å; W409-I416 HydrophobicContact CG-CD1 3.49Å; W409-I416 VanDerWaalsContact CG-CD1 3.49Å; D413-I416 PolarHBondContact O-N 2.86Å; D413-I416 VanDerWaalsContact O-N 3.16Å; I416-Q418 PolarHBondContact O-N 3.31Å; I416-L419 PolarHBondContact O-N 3.44Å; I416-A420 WeakPolarHBondContact O-CB 3.25Å; I416-A420 PolarHBondContact O-N 3.44Å
417N40.5Very low51.9Low64 Ų6487.7 Ų87.734%0.34246%0.463SS..Hα-helixtrans-63.7-25.2171.9-75.9-82.6000113.7E411 D413 Q414 K421E411-N417 PolarHBondContact O-ND2 2.89Å; D413-N417 PolarHBondContact O-N 3.4Å; D413-N417 VanDerWaalsContact O-N 3.15Å; D413-N417 PolarHBondContact O-ND2 3.08Å; Q414-N417 CarbonylContact O-C 3.6Å; Q414-N417 PolarHBondContact O-N 2.72Å; N417-K421 WeakPolarHBondContact O-CB 3.4Å; N417-K421 VanDerWaalsContact O-CD 3.27Å; N417-K421 WeakPolarHBondContact O-CD 3.05Å; N417-K421 WeakPolarHBondContact O-CG 3.01Å; N417-K421 PolarHBondContact O-N 3.35Å
418Q37.5Very low49.7Very low109 Ų10989 Ų8951%0.50947%0.466SS..Hα-helixtrans-84.6-43.1174.7-79173.848.800111.3Q414 I415 I416 A420 K421 V422Q414-Q418 WeakPolarHBondContact O-CB 3.48Å; Q414-Q418 WeakPolarHBondContact O-CG 3.28Å; Q414-Q418 PolarHBondContact O-N 2.96Å; I415-Q418 PolarHBondContact O-N 3.07Å; I416-Q418 PolarHBondContact O-N 3.31Å; Q418-A420 PolarHBondContact O-N 3.27Å; Q418-K421 CarbonylContact O-C 3.57Å; Q418-K421 PolarHBondContact O-N 3.03Å; Q418-V422 WeakPolarHBondContact O-CB 3.13Å; Q418-V422 VanDerWaalsContact O-CG2 3.3Å; Q418-V422 WeakPolarHBondContact O-CG2 3.4Å; Q418-V422 PolarHBondContact O-N 3.14Å
419L41.6Very low47.4Very low107 Ų10796 Ų9656%0.5650%0.504SS*.Hα-helixtrans-58.2-39.1171.6-70.5166.5000111.2I415 I416 K421 N423I415-L419 HydrophobicContact CG2-CD1 4.05Å; I415-L419 WeakPolarHBondContact O-CB 2.86Å; I415-L419 VanDerWaalsContact O-CG 3.31Å; I415-L419 WeakPolarHBondContact O-CG 2.98Å; I415-L419 PolarHBondContact O-N 3.41Å; I416-L419 PolarHBondContact O-N 3.44Å; L419-K421 VanDerWaalsContact C-N 3.28Å; L419-K421 PolarHBondContact O-N 3.49Å; L419-N423 VanDerWaalsContact O-CG 3.3Å; L419-N423 PolarHBondContact O-OD1 3.09Å
420A35.5Very low45.1Very low35 Ų3599.9 Ų99.929%0.28953%0.531SS..Hα-helixtrans-70.7-14.4173.400000114.7I416 Q418 H424I416-A420 WeakPolarHBondContact O-CB 3.25Å; I416-A420 PolarHBondContact O-N 3.44Å; Q418-A420 PolarHBondContact O-N 3.27Å; A420-H424 PolarHBondContact O-CD2 2.68Å
421K34.7Very low42.7Very low136 Ų136104.8 Ų104.859%0.59156%0.559SS**Hα-helixtrans-107.5-34.8-179.8-76.4174.9-173.2-178.60113.8N417 Q418 L419 N423 H424N417-K421 WeakPolarHBondContact O-CB 3.4Å; N417-K421 VanDerWaalsContact O-CD 3.27Å; N417-K421 WeakPolarHBondContact O-CD 3.05Å; N417-K421 WeakPolarHBondContact O-CG 3.01Å; N417-K421 PolarHBondContact O-N 3.35Å; Q418-K421 CarbonylContact O-C 3.57Å; Q418-K421 PolarHBondContact O-N 3.03Å; L419-K421 VanDerWaalsContact C-N 3.28Å; L419-K421 PolarHBondContact O-N 3.49Å; K421-N423 PolarHBondContact O-N 2.89Å; K421-H424 PolarHBondContact O-N 2.97Å
422V39.4Very low41.2Very low98 Ų98105.6 Ų105.659%0.59457%0.567SS**Hα-helixtrans-60.9-38.4174.2169.60000109.9Q418 H424 S425Q418-V422 WeakPolarHBondContact O-CB 3.13Å; Q418-V422 VanDerWaalsContact O-CG2 3.3Å; Q418-V422 WeakPolarHBondContact O-CG2 3.4Å; Q418-V422 PolarHBondContact O-N 3.14Å; V422-H424 PolarHBondContact O-N 3.23Å; V422-H424 VanDerWaalsContact O-N 3.08Å; V422-S425 PolarHBondContact O-N 2.72Å
423N36.6Very low39.6Very low123 Ų123106.6 Ų106.666%0.65857%0.568SS**THydrogen-bonded Turntrans-69.5-1174.6-64.45.6000114.4L419 K421L419-N423 VanDerWaalsContact O-CG 3.3Å; L419-N423 PolarHBondContact O-OD1 3.09Å; K421-N423 PolarHBondContact O-N 2.89Å
424H37.6Very low38.3Very low119 Ų119110.9 Ų110.955%0.55159%0.592SS**THydrogen-bonded Turntrans-117.816.1-179.9-77.7-45.6000113.4A420 K421 V422 Q517A420-H424 PolarHBondContact O-CD2 2.68Å; K421-H424 PolarHBondContact O-N 2.97Å; V422-H424 PolarHBondContact O-N 3.23Å; V422-H424 VanDerWaalsContact O-N 3.08Å; H424-Q517 PolarHBondContact NE2-OE1 3.01Å
425S34.3Very low37.8Very low93 Ų93109 Ų10965%0.6559%0.593SS**  trans-139.933.3-169.7-67.60000116.9V422V422-S425 PolarHBondContact O-N 2.72Å
426D32.5Very low37.2Very low136 Ų136109.6 Ų109.673%0.72760%0.598SS**  trans-126.275.5163.5-86.9-51.6000109.8A234A234-D426 WeakPolarHBondContact CB-O 3.46Å
427N33.5Very low36.5Very low79 Ų79114 Ų11442%0.42262%0.621SS.*  trans-163.2107.5178.1-108-35.4000116.7A234 P235 K236A234-N427 WeakPolarHBondContact CB-OD1 3.1Å; A234-N427 PolarHBondContact O-OD1 3.35Å; A234-N427 VanDerWaalsContact O-OD1 3.05Å; P235-N427 VanDerWaalsContact C-CG 3.42Å; P235-N427 VanDerWaalsContact CA-OD1 3.26Å; P235-N427 WeakPolarHBondContact CA-OD1 3.31Å; P235-N427 VanDerWaalsContact O-CG 3.29Å; P235-N427 PolarHBondContact O-ND2 3.17Å; P235-N427 PolarHBondContact O-OD1 3.18Å; K236-N427 PolarHBondContact N-OD1 2.93Å; K236-N427 VanDerWaalsContact N-OD1 3.13Å
428N33.1Very low36.5Very low74 Ų74118.5 Ų118.540%0.39664%0.64SS.*  trans69.3103162.1-71.1-120.4000119.6A234 K236A234-N428 PolarHBondContact O-ND2 2.84Å; K236-N428 HydrophobicContact CD-CB 3.88Å; K236-N428 HydrophobicContact CG-CB 4.04Å; K236-N428 PolarHBondContact N-ND2 3.03Å
429N35.2Very low36.6Very low156 Ų156118.1 Ų118.183%0.83465%0.647SS**  -156.5140.8119.9-122.76.3000111
430T35.6Very low36.5Very low110 Ų110121.5 Ų121.568%0.67566%0.66SS**  trans-124.4159.3-171.333.30000114
431N33.8Very low36.7Very low140 Ų140125.6 Ų125.675%0.74968%0.681SS**  trans72.4112.8162.6-57.1-18.4000119
432N36.6Very low37Very low139 Ų139124.9 Ų124.974%0.74369%0.691SS**  -173.9119.3100.9-94.2-45.4000114.8
433N37.1Very low36.8Very low125 Ų125125.3 Ų125.367%0.66870%0.698SS**  trans59119.4138.8-52.9-29.1000123
434N37.3Very low36.9Very low151 Ų151126.5 Ų126.581%0.80770%0.699SS**  trans61.4124.1135.5-55.4-15.4000118.7
435S39Very low37Very low100 Ų100126.9 Ų126.970%0.69970%0.701SS**  cis178.9150.34151.70000115
436N38.4Very low37.1Very low141 Ų141130.9 Ų130.975%0.75470%0.702SS**  trans70.9121.5140.4-66.8-7.4000124.8
437L37.2Very low37.2Very low158 Ų158131 Ų13183%0.82770%0.698SS**  trans66.9148.2147.3-83.571.5000119.7
438H40.4Very low37.4Very low160 Ų160134.9 Ų134.974%0.74171%0.713SS**  cis-163.6146.6-23.5-161.2-85.7000109.7
439P40.1Very low37.3Very low101 Ų101139.9 Ų139.966%0.65674%0.735SS**  trans-113.9169.5-169.841.5-36.2000117.5
440H38.4Very low37.3Very low178 Ų178140.6 Ų140.682%0.82474%0.738SS**  trans-168.1165.4166.7-84-68.3000109.1
441T39.6Very low37.1Very low120 Ų120142.2 Ų142.274%0.73674%0.742SS**  cis-166.7143.6-31.8-84.70000107.9
442P40.3Very low37.2Very low122 Ų122143.7 Ų143.779%0.79275%0.75SS**  trans-122.1178.3-163.743.9-34000117.6
443S37Very low37.3Very low107 Ų107144.2 Ų144.275%0.74875%0.753SS**  trans-170.2-176.9160.763.10000109.7
444H38.6Very low37.5Very low147 Ų147143.4 Ų143.468%0.68175%0.754SS**  cis-160.2124.12.6-138.3-76.9000109.4
445E38.2Very low37.6Very low127 Ų127143.6 Ų143.659%0.59376%0.755SS**  trans51.4159144.6-62.7-173.4138.500123
446R37.6Very low37.5Very low178 Ų178144 Ų14467%0.67276%0.758SS**  cis-166.2153.3-9.7-114.7-179-147.2-149.316.3111.3
447H35.3Very low37.3Very low137 Ų137140.3 Ų140.363%0.63475%0.754SS**  trans48.9163.6143-63.3-19.1000122
448E36.8Very low37.2Very low161 Ų161141 Ų14175%0.75276%0.758SS**  cis-154.5136.1-11.6-103.7147.715500103.9
449Q31.7Very low36.9Very low180 Ų180139.2 Ų139.284%0.84175%0.753SS**  71.997.955.1-162173.916.700115.9
450L35Very low36.6Very low171 Ų171142.5 Ų142.590%0.89577%0.765SS**  trans-165.1151.3152.1-109.1163.2000110.1
451N31.6Very low36.5Very low144 Ų144137.8 Ų137.877%0.7775%0.752SS**  trans-115.6157177.7-54.1-43.6000109.7
452D34.9Very low36.4Very low171 Ų171137.8 Ų137.891%0.91475%0.748SS**  trans-162.5139.6146-92.8-36.9000110
453D38.9Very low36.3Very low149 Ų149141.2 Ų141.280%0.79775%0.753SS**  trans-159.9134.9178.6177.840.9000106.9
454P41.7Very low36.2Very low108 Ų108142.9 Ų142.970%0.70175%0.752SS**  -157.6175.8113.440.5-22.6000117.4
455D38.7Very low36.2Very low155 Ų155143.7 Ų143.783%0.82976%0.76SS**  trans74.3142.2152.9-121.4-0.4000117.1
456S37.2Very low36.1Very low108 Ų108143.7 Ų143.776%0.75576%0.764SS**  cis-150.2167.9336.20000108.1
457G34.2Very low36Very low65 Ų65141 Ų14167%0.6777%0.77SS**  cis142.295.61.600000111.1
458L34.3Very low36.2Very low173 Ų173143.2 Ų143.291%0.90678%0.777SS**  trans-14468.8168.6-82.9-173.5000111.9
459D35.7Very low36.2Very low122 Ų122145 Ų14565%0.65278%0.783SS**  trans27.8126.8133.3-161.56.8000120.8S461D459-S461 PolarHBondContact OD1-N 2.94Å; D459-S461 PolarHBondContact OD1-OG 3.09Å
460N33.7Very low36.3Very low170 Ų170142.9 Ų142.991%0.90978%0.777SS**  trans-152.163.4146.3-89.3-93.1000108
461S35Very low36.2Very low78 Ų78144.8 Ų144.855%0.54578%0.778SS.*  trans-74165.1163.177.40000110D459D459-S461 PolarHBondContact OD1-N 2.94Å; D459-S461 PolarHBondContact OD1-OG 3.09Å
462D38.2Very low36.4Very low120 Ų120143.4 Ų143.464%0.64277%0.77SS**  cis-134.2165.96.9-89.3-68.7000107.6
463E37.9Very low36.3Very low195 Ų195143 Ų14391%0.91177%0.768SS**  cis-133.1149.948.9-66.2-177.511800114.9
464I35.7Very low36.3Very low142 Ų142142.4 Ų142.473%0.72877%0.765SS**  trans-97.9133.8-178.7-63.6165.7000110.6
465I37.6Very low36.4Very low164 Ų164141.6 Ų141.684%0.84175%0.754SS**  trans-124.2133.9163.6-62.3-177.1000109.7
466D36.8Very low36.3Very low127 Ų127137.7 Ų137.768%0.67974%0.744SS**  trans-69.3118.9-162.2-177.712.7000115K468D466-K468 PolarHBondContact O-N 2.14Å
467P35Very low36.2Very low121 Ų121137.1 Ų137.179%0.78673%0.732SS**  trans-84.868-176.435.7-36.7000112.9
468K39.2Very low36.3Very low184 Ų184136.6 Ų136.680%0.872%0.718SS**  trans-140.740.1179.7-123.2167-167.11660117.3D466D466-K468 PolarHBondContact O-N 2.14Å
469K37.4Very low36.5Very low198 Ų198135.6 Ų135.686%0.86171%0.707SS**  trans-147.8165.3164.2-112.4166.5-174.1171.80112.7
470N33.6Very low36.9Very low136 Ų136136.3 Ų136.373%0.72770%0.7SS**  trans65.689.2175.4-61.35.9000116.6L472N470-L472 PolarHBondContact O-N 3.07Å
471K33.3Very low37.6Very low211 Ų211131.8 Ų131.892%0.91768%0.676SS**  trans-59.8118.6137.5-75.7179.4171.3-176.80108
472L36.1Very low38.3Very low115 Ų115133.8 Ų133.860%0.60268%0.677SS**  trans-165.2106.4159.9-107.4165000107.9N470 D474N470-L472 PolarHBondContact O-N 3.07Å; L472-D474 PolarHBondContact O-N 2.97Å
473N32.2Very low39.6Very low161 Ų161131.1 Ų131.186%0.86167%0.668SS**  trans-99.971.3-177.3-78.43.9000110.6
474D38.5Very low41.5Very low137 Ų137122 Ų12273%0.73363%0.625SS**  trans-145.7-26175.4-80.2-61.4000114.8L472 A476L472-D474 PolarHBondContact O-N 2.97Å; D474-A476 PolarHBondContact O-N 3.19Å
475D43Very low43.8Very low91 Ų91118.2 Ų118.249%0.48760%0.603SS.*THydrogen-bonded Turntrans-68.1-4.3-164.2-71.3-36.6000117.6N477 S478 K479D475-N477 VanDerWaalsContact C-N 3.32Å; D475-N477 PolarHBondContact O-N 2.99Å; D475-S478 PolarHBondContact O-N 3.29Å; D475-K479 PolarHBondContact O-N 3.44Å
476A36.6Very low45.9Very low73 Ų73112.9 Ų112.960%0.60358%0.581SS**THydrogen-bonded Turntrans-67.1-27.3-169.900000114.5D474 R480D474-A476 PolarHBondContact O-N 3.19Å; A476-R480 PolarHBondContact O-NH2 3.36Å
477N35.7Very low48Very low97 Ų97108.7 Ų108.752%0.51956%0.558SS.*THydrogen-bonded Turntrans-88.5-41.5173-75.8-9.3000111.9D475 K479 R480 D481D475-N477 VanDerWaalsContact C-N 3.32Å; D475-N477 PolarHBondContact O-N 2.99Å; N477-K479 VanDerWaalsContact C-N 3.28Å; N477-K479 PolarHBondContact O-N 3.46Å; N477-R480 WeakPolarHBondContact O-CA 3.36Å; N477-R480 WeakPolarHBondContact O-CB 3.34Å; N477-R480 PolarHBondContact O-N 3.41Å; N477-R480 PolarHBondContact OD1-NH1 3.07Å; N477-D481 PolarHBondContact O-N 3.49Å
478S37Very low50.5Low53 Ų53103 Ų10337%0.37152%0.521SS..Hα-helixtrans-55.6-40.7-178.4-173.90000112.9D475 R480 D481 Q482D475-S478 PolarHBondContact O-N 3.29Å; S478-R480 PolarHBondContact O-N 3.37Å; S478-D481 PolarHBondContact O-N 2.83Å; S478-Q482 VanDerWaalsContact O-CG 3.23Å; S478-Q482 WeakPolarHBondContact O-CG 3.37Å; S478-Q482 PolarHBondContact O-N 3.47Å; S478-Q482 VanDerWaalsContact O-N 3.12Å; S478-Q482 PolarHBondContact O-NE2 3.18Å; S478-Q482 PolarHBondContact OG-NE2 2.92Å; S478-Q482 VanDerWaalsContact OG-NE2 3.12Å
479K38.8Very low52.7Low153 Ų15397.3 Ų97.367%0.66550%0.499SS*.Hα-helixtrans-64.7-24.8174.6-72.2-175.5177-1800114D475 N477D475-K479 PolarHBondContact O-N 3.44Å; N477-K479 VanDerWaalsContact C-N 3.28Å; N477-K479 PolarHBondContact O-N 3.46Å
480R42.9Very low54.7Low136 Ų13694.5 Ų94.551%0.51349%0.489SS..Hα-helixtrans-83.9-38178.7-140.6-177.7-64.4106.1-2111.1A476 N477 S478 S483A476-R480 PolarHBondContact O-NH2 3.36Å; N477-R480 WeakPolarHBondContact O-CA 3.36Å; N477-R480 WeakPolarHBondContact O-CB 3.34Å; N477-R480 PolarHBondContact O-N 3.41Å; N477-R480 PolarHBondContact OD1-NH1 3.07Å; S478-R480 PolarHBondContact O-N 3.37Å; R480-S483 VanDerWaalsContact O-CB 3.26Å; R480-S483 WeakPolarHBondContact O-CB 3.38Å; R480-S483 PolarHBondContact O-N 2.66Å
481D48.3Very low56.9Low76 Ų7690.3 Ų90.341%0.40647%0.467SS..Hα-helixtrans-67.7-38.3177-52.4-31.6000111.8N477 S478 S483 I484 K485N477-D481 PolarHBondContact O-N 3.49Å; S478-D481 PolarHBondContact O-N 2.83Å; D481-S483 PolarHBondContact O-N 2.94Å; D481-I484 PolarHBondContact O-N 3.43Å; D481-I484 VanDerWaalsContact O-N 3.1Å; D481-K485 PolarHBondContact O-N 2.99Å
482Q50.3Low59.5Low120 Ų12087.1 Ų87.156%0.56146%0.459SS*.Hα-helixtrans-56.3-33.7172.7-73.8168.444.900112.5S478 I484 S486S478-Q482 VanDerWaalsContact O-CG 3.23Å; S478-Q482 WeakPolarHBondContact O-CG 3.37Å; S478-Q482 PolarHBondContact O-N 3.47Å; S478-Q482 VanDerWaalsContact O-N 3.12Å; S478-Q482 PolarHBondContact O-NE2 3.18Å; S478-Q482 PolarHBondContact OG-NE2 2.92Å; S478-Q482 VanDerWaalsContact OG-NE2 3.12Å; Q482-I484 VanDerWaalsContact C-N 3.27Å; Q482-I484 PolarHBondContact O-N 2.94Å; Q482-S486 PolarHBondContact O-N 3.43Å; Q482-S486 PolarHBondContact O-OG 3.16Å
483S65.9Low62Low64 Ų6481.6 Ų81.645%0.44843%0.431SS..Hα-helixtrans-71.7-14.4179.3-171.70000114.5R480 D481 S486 L487R480-S483 VanDerWaalsContact O-CB 3.26Å; R480-S483 WeakPolarHBondContact O-CB 3.38Å; R480-S483 PolarHBondContact O-N 2.66Å; D481-S483 PolarHBondContact O-N 2.94Å; S483-S486 PolarHBondContact O-OG 3.36Å; S483-L487 WeakPolarHBondContact O-CD1 3.23Å
484I77.4Confident64.8Low3 Ų376 Ų762%0.01540%0.404CS..Hα-helixtrans-95.2-46.5176.1-50.1-177.5000109.3D481 Q482 S486 L487 F488 Y497 M509D481-I484 PolarHBondContact O-N 3.43Å; D481-I484 VanDerWaalsContact O-N 3.1Å; Q482-I484 VanDerWaalsContact C-N 3.27Å; Q482-I484 PolarHBondContact O-N 2.94Å; I484-S486 VanDerWaalsContact C-N 3.28Å; I484-S486 PolarHBondContact O-N 3.14Å; I484-L487 WeakPolarHBondContact O-CB 3.37Å; I484-L487 PolarHBondContact O-N 2.92Å; I484-F488 HydrophobicContact CG2-CE2 4.16Å; I484-Y497 HydrophobicContact CB-CE2 4.37Å; I484-Y497 HydrophobicContact CG2-CE2 3.89Å; I484-M509 HydrophobicContact CD1-CG 4.08Å; I484-M509 HydrophobicContact CD1-SD 4.35Å; I484-M509 HydrophobicContact CG1-CG 3.87Å; I484-M509 HydrophobicContact CG1-SD 4Å
485K83.9Confident67.2Low63 Ų6371.9 Ų71.927%0.27439%0.389SS..Hα-helixtrans-55.1-43.5179.3-173.4172.1177.3171.80112.3D481 L487 F488 D489 Y497 E498D481-K485 PolarHBondContact O-N 2.99Å; K485-L487 PolarHBondContact O-N 3.2Å; K485-L487 VanDerWaalsContact O-N 3.15Å; K485-F488 WeakPolarHBondContact O-CB 3.43Å; K485-F488 PolarHBondContact O-N 2.72Å; K485-D489 PolarHBondContact O-N 2.68Å; K485-Y497 HydrophobicContact CB-CD1 4.13Å; K485-Y497 HydrophobicContact CB-CE1 3.53Å; K485-Y497 HydrophobicContact CB-CE2 4.48Å; K485-Y497 HydrophobicContact CD-CD1 4.09Å; K485-Y497 HydrophobicContact CD-CE1 3.92Å; K485-Y497 HydrophobicContact CG-CD1 3.74Å; K485-Y497 HydrophobicContact CG-CE1 3.62Å; K485-Y497 HydrophobicContact CG-CG 4.48Å; K485-Y497 PolarHBondContact N-OH 3Å; K485-E498 IonicContact NZ-OE1 2.7Å; K485-E498 PolarHBondContact NZ-OE1 3.08Å
486S81.6Confident69.5Low52 Ų5268.7 Ų68.736%0.36437%0.372SS..Hα-helixtrans-56.2-32.6178.155.80000113.6Q482 S483 I484 F488 D489 E490Q482-S486 PolarHBondContact O-N 3.43Å; Q482-S486 PolarHBondContact O-OG 3.16Å; S483-S486 PolarHBondContact O-OG 3.36Å; I484-S486 VanDerWaalsContact C-N 3.28Å; I484-S486 PolarHBondContact O-N 3.14Å; S486-F488 VanDerWaalsContact C-N 3.29Å; S486-F488 PolarHBondContact O-N 3.13Å; S486-D489 PolarHBondContact O-N 3.16Å; S486-E490 WeakPolarHBondContact O-CG 3.34Å; S486-E490 PolarHBondContact O-N 2.98Å; S486-E490 VanDerWaalsContact O-N 3.14Å
487L80.7Confident72.1Confident39 Ų3965.8 Ų65.820%0.20435%0.345CS..Hα-helixtrans-73.3-20.7178.7-59.9169.5000112.8L247 K251 S483 I484 K485 M509L247-L487 HydrophobicContact CD1-CB 3.96Å; L247-L487 HydrophobicContact CD1-CD1 4.02Å; L247-L487 HydrophobicContact CD2-CB 4.16Å; L247-L487 HydrophobicContact CD2-CD1 4.1Å; L247-L487 HydrophobicContact CD2-CD2 4.32Å; L247-L487 HydrophobicContact CD2-CG 4.43Å; K251-L487 WeakPolarHBondContact CE-O 3.36Å; K251-L487 PolarHBondContact NZ-O 3.26Å; S483-L487 WeakPolarHBondContact O-CD1 3.23Å; I484-L487 WeakPolarHBondContact O-CB 3.37Å; I484-L487 PolarHBondContact O-N 2.92Å; K485-L487 PolarHBondContact O-N 3.2Å; K485-L487 VanDerWaalsContact O-N 3.15Å; L487-M509 HydrophobicContact CD1-SD 4.36Å
488F87.3Confident74.7Confident0 Ų064.7 Ų64.70%034%0.337CS..Hα-helixtrans-88-37.7171-75.7-105.3000111.2L247 C250 K251 F254 I484 K485 S486 E490 D491 N492 M493 Y497L247-F488 HydrophobicContact CD1-CE2 4.48Å; C250-F488 HydrophobicContact CB-CZ 4.5Å; K251-F488 HydrophobicContact CB-CE1 4.44Å; K251-F488 HydrophobicContact CG-CD1 4.17Å; K251-F488 HydrophobicContact CG-CE1 3.9Å; K251-F488 HydrophobicContact CG-CZ 4.17Å; F254-F488 HydrophobicContact CB-CE1 3.98Å; F254-F488 HydrophobicContact CD2-CD1 4.27Å; F254-F488 AromaticContact CD2-CE1 3.39Å; F254-F488 HydrophobicContact CD2-CE1 3.39Å; F254-F488 AromaticContact CD2-CZ 3.62Å; F254-F488 HydrophobicContact CD2-CZ 3.62Å; F254-F488 HydrophobicContact CE2-CE1 4.12Å; F254-F488 AromaticContact CE2-CZ 3.91Å; F254-F488 HydrophobicContact CE2-CZ 3.91Å; F254-F488 AromaticContact CG-CE1 3.88Å; F254-F488 HydrophobicContact CG-CE1 3.88Å; F254-F488 HydrophobicContact CG-CZ 4.17Å; I484-F488 HydrophobicContact CG2-CE2 4.16Å; K485-F488 WeakPolarHBondContact O-CB 3.43Å; K485-F488 PolarHBondContact O-N 2.72Å; S486-F488 VanDerWaalsContact C-N 3.29Å; S486-F488 PolarHBondContact O-N 3.13Å; F488-E490 PolarHBondContact O-N 3.25Å; F488-D491 PolarHBondContact O-N 3.13Å; F488-D491 VanDerWaalsContact O-N 3.1Å; F488-N492 PolarHBondContact O-N 2.68Å; F488-M493 HydrophobicContact CB-CB 4.24Å; F488-M493 HydrophobicContact CD1-CB 4.04Å; F488-M493 PolarHBondContact O-N 3.18Å; F488-Y497 HydrophobicContact CB-CD2 4.24Å; F488-Y497 HydrophobicContact CB-CG 4.33Å; F488-Y497 HydrophobicContact CD1-CD2 4.08Å; F488-Y497 AromaticContact CD2-CD2 3.48Å; F488-Y497 HydrophobicContact CD2-CD2 3.48Å; F488-Y497 VanDerWaalsContact CD2-CD2 3.48Å; F488-Y497 AromaticContact CD2-CE2 3.98Å; F488-Y497 HydrophobicContact CD2-CE2 3.98Å; F488-Y497 HydrophobicContact CD2-CG 4.37Å; F488-Y497 HydrophobicContact CE1-CD2 4.3Å; F488-Y497 AromaticContact CE2-CD2 3.74Å; F488-Y497 HydrophobicContact CE2-CD2 3.74Å; F488-Y497 HydrophobicContact CE2-CE2 4.1Å; F488-Y497 AromaticContact CG-CD2 3.67Å; F488-Y497 HydrophobicContact CG-CD2 3.67Å; F488-Y497 HydrophobicContact CG-CG 4.17Å; F488-Y497 HydrophobicContact CZ-CD2 4.14Å
489D85.5Confident77.3Confident65 Ų6565.8 Ų65.835%0.34834%0.335SS..Hα-helixtrans-58.7-33.6175.5-62.4-25.1000111.7K485 S486 D491 N492 S494K485-D489 PolarHBondContact O-N 2.68Å; S486-D489 PolarHBondContact O-N 3.16Å; D489-D491 VanDerWaalsContact C-N 3.26Å; D489-D491 PolarHBondContact O-N 3.42Å; D489-N492 PolarHBondContact O-N 3.23Å; D489-S494 VanDerWaalsContact OD1-CB 3.24Å; D489-S494 WeakPolarHBondContact OD1-CB 3.33Å; D489-S494 PolarHBondContact OD1-OG 3.05Å
490E80Confident79.8Confident139 Ų13958.5 Ų58.565%0.6530%0.303SS*.THydrogen-bonded Turntrans-54.9-34173.1-79.8174.5173.500114.3S486 F488S486-E490 WeakPolarHBondContact O-CG 3.34Å; S486-E490 PolarHBondContact O-N 2.98Å; S486-E490 VanDerWaalsContact O-N 3.14Å; F488-E490 PolarHBondContact O-N 3.25Å
491D80.7Confident82.1Confident49 Ų4954 Ų5426%0.26229%0.289SS..THydrogen-bonded Turntrans-99.27.8178.1-74.2-20.5000112.8K251 S283 F488 D489 M493K251-D491 VanDerWaalsContact CD-OD2 3.28Å; K251-D491 WeakPolarHBondContact CD-OD2 3.43Å; K251-D491 WeakPolarHBondContact CE-OD2 3.32Å; K251-D491 IonicContact NZ-OD1 2.67Å; K251-D491 IonicContact NZ-OD2 3.93Å; K251-D491 PolarHBondContact NZ-OD2 3.42Å; S283-D491 WeakPolarHBondContact CB-OD2 3.49Å; S283-D491 VanDerWaalsContact OG-CG 3.3Å; S283-D491 PolarHBondContact OG-OD2 3.29Å; F488-D491 PolarHBondContact O-N 3.13Å; F488-D491 VanDerWaalsContact O-N 3.1Å; D489-D491 VanDerWaalsContact C-N 3.26Å; D489-D491 PolarHBondContact O-N 3.42Å; D491-M493 HydrophobicContact CB-CG 3.77Å; D491-M493 HydrophobicContact CB-SD 3.9Å; D491-M493 PolarHBondContact O-N 3.24Å
492N86.7Confident84Confident143 Ų14357 Ų5777%0.76530%0.298SS*.THydrogen-bonded Turntrans63.119.8-167.9-50.8-88.3000115F488 D489 S494F488-N492 PolarHBondContact O-N 2.68Å; D489-N492 PolarHBondContact O-N 3.23Å; N492-S494 PolarHBondContact O-N 3.34Å
493M89.9Confident85.9Confident0 Ų054.2 Ų54.20%029%0.285CS..  trans-87.827.6-175.5-61.3-177.865.800113.9K251 W255 P281 V284 F488 D491 A495 E496 Y497K251-M493 HydrophobicContact CB-CE 3.99Å; K251-M493 HydrophobicContact CB-SD 3.98Å; K251-M493 HydrophobicContact CD-SD 4.41Å; K251-M493 HydrophobicContact CG-SD 4.19Å; K251-M493 VanDerWaalsContact O-CE 3.3Å; K251-M493 WeakPolarHBondContact O-CE 3.47Å; W255-M493 HydrophobicContact CB-CE 3.78Å; W255-M493 HydrophobicContact CG-CE 4.47Å; P281-M493 HydrophobicContact CB-SD 4.39Å; P281-M493 HydrophobicContact CG-CG 4.06Å; P281-M493 HydrophobicContact CG-SD 4.19Å; V284-M493 HydrophobicContact CG2-CE 3.6Å; V284-M493 HydrophobicContact CG2-SD 3.93Å; F488-M493 HydrophobicContact CB-CB 4.24Å; F488-M493 HydrophobicContact CD1-CB 4.04Å; F488-M493 PolarHBondContact O-N 3.18Å; D491-M493 HydrophobicContact CB-CG 3.77Å; D491-M493 HydrophobicContact CB-SD 3.9Å; D491-M493 PolarHBondContact O-N 3.24Å; M493-A495 VanDerWaalsContact C-N 3.28Å; M493-A495 PolarHBondContact O-N 3.23Å; M493-E496 VanDerWaalsContact C-OE2 3.3Å; M493-E496 VanDerWaalsContact CA-OE2 3.32Å; M493-E496 WeakPolarHBondContact CA-OE2 3.5Å; M493-Y497 WeakPolarHBondContact O-CB 3.36Å; M493-Y497 PolarHBondContact O-N 3.33Å; M493-Y497 VanDerWaalsContact O-N 3.09Å
494S89.2Confident87Confident42 Ų4251.9 Ų51.929%0.29427%0.267SS..Hα-helixtrans-64.9-30-174.7-47.80000113.3D489 N492 E498D489-S494 VanDerWaalsContact OD1-CB 3.24Å; D489-S494 WeakPolarHBondContact OD1-CB 3.33Å; D489-S494 PolarHBondContact OD1-OG 3.05Å; N492-S494 PolarHBondContact O-N 3.34Å; S494-E498 WeakPolarHBondContact O-CB 3.15Å; S494-E498 WeakPolarHBondContact O-CG 3.39Å; S494-E498 PolarHBondContact O-N 2.95Å; S494-E498 VanDerWaalsContact O-N 3.08Å
495A89.6Confident87.6Confident52 Ų5254.3 Ų54.343%0.4329%0.288SS..Hα-helixtrans-77.1-45.9-177.500000111.3M493 Y497 E498 F499M493-A495 VanDerWaalsContact C-N 3.28Å; M493-A495 PolarHBondContact O-N 3.23Å; A495-Y497 VanDerWaalsContact C-N 3.31Å; A495-Y497 PolarHBondContact O-N 3.28Å; A495-E498 PolarHBondContact O-N 3.28Å; A495-F499 WeakPolarHBondContact O-CB 3.3Å; A495-F499 PolarHBondContact O-N 2.8Å
496E91.8Very high87.7Confident24 Ų2453.6 Ų53.611%0.11229%0.287CS..Hα-helixtrans-57.1-46172.6-63.486.4158.200110.3Y258 M493 F499 I500Y258-E496 HydrophobicContact CD1-CG 3.91Å; Y258-E496 HydrophobicContact CD2-CG 4.26Å; Y258-E496 HydrophobicContact CE1-CG 4.46Å; Y258-E496 HydrophobicContact CG-CB 4.37Å; Y258-E496 HydrophobicContact CG-CG 3.79Å; M493-E496 VanDerWaalsContact C-OE2 3.3Å; M493-E496 VanDerWaalsContact CA-OE2 3.32Å; M493-E496 WeakPolarHBondContact CA-OE2 3.5Å; E496-F499 PolarHBondContact O-N 3.19Å; E496-I500 VanDerWaalsContact O-CB 3.3Å; E496-I500 WeakPolarHBondContact O-CB 3.22Å; E496-I500 WeakPolarHBondContact O-CG1 3.46Å; E496-I500 PolarHBondContact O-N 3.32Å
497Y91.6Very high87.9Confident11 Ų1151.6 Ų51.64%0.04327%0.272CS..Hα-helixtrans-58.3-55.4174.8-178.6-92.2000112.4F254 I484 K485 F488 M493 A495 F499 I500 I501F254-Y497 HydrophobicContact CD2-CD2 4.31Å; F254-Y497 AromaticContact CE2-CD2 3.89Å; F254-Y497 HydrophobicContact CE2-CD2 3.89Å; F254-Y497 HydrophobicContact CE2-CE2 4.46Å; I484-Y497 HydrophobicContact CB-CE2 4.37Å; I484-Y497 HydrophobicContact CG2-CE2 3.89Å; K485-Y497 HydrophobicContact CB-CD1 4.13Å; K485-Y497 HydrophobicContact CB-CE1 3.53Å; K485-Y497 HydrophobicContact CB-CE2 4.48Å; K485-Y497 HydrophobicContact CD-CD1 4.09Å; K485-Y497 HydrophobicContact CD-CE1 3.92Å; K485-Y497 HydrophobicContact CG-CD1 3.74Å; K485-Y497 HydrophobicContact CG-CE1 3.62Å; K485-Y497 HydrophobicContact CG-CG 4.48Å; K485-Y497 PolarHBondContact N-OH 3Å; F488-Y497 HydrophobicContact CB-CD2 4.24Å; F488-Y497 HydrophobicContact CB-CG 4.33Å; F488-Y497 HydrophobicContact CD1-CD2 4.08Å; F488-Y497 AromaticContact CD2-CD2 3.48Å; F488-Y497 HydrophobicContact CD2-CD2 3.48Å; F488-Y497 VanDerWaalsContact CD2-CD2 3.48Å; F488-Y497 AromaticContact CD2-CE2 3.98Å; F488-Y497 HydrophobicContact CD2-CE2 3.98Å; F488-Y497 HydrophobicContact CD2-CG 4.37Å; F488-Y497 HydrophobicContact CE1-CD2 4.3Å; F488-Y497 AromaticContact CE2-CD2 3.74Å; F488-Y497 HydrophobicContact CE2-CD2 3.74Å; F488-Y497 HydrophobicContact CE2-CE2 4.1Å; F488-Y497 AromaticContact CG-CD2 3.67Å; F488-Y497 HydrophobicContact CG-CD2 3.67Å; F488-Y497 HydrophobicContact CG-CG 4.17Å; F488-Y497 HydrophobicContact CZ-CD2 4.14Å; M493-Y497 WeakPolarHBondContact O-CB 3.36Å; M493-Y497 PolarHBondContact O-N 3.33Å; M493-Y497 VanDerWaalsContact O-N 3.09Å; A495-Y497 VanDerWaalsContact C-N 3.31Å; A495-Y497 PolarHBondContact O-N 3.28Å; Y497-F499 VanDerWaalsContact C-N 3.27Å; Y497-F499 PolarHBondContact O-N 2.88Å; Y497-I500 PolarHBondContact O-N 3.19Å; Y497-I501 HydrophobicContact CE1-CD1 4.01Å; Y497-I501 HydrophobicContact CE1-CG2 4.44Å; Y497-I501 HydrophobicContact CE2-CD1 3.92Å; Y497-I501 VanDerWaalsContact CZ-CD1 3.46Å; Y497-I501 WeakPolarHBondContact O-CB 3.48Å; Y497-I501 WeakPolarHBondContact O-CG2 3.28Å; Y497-I501 PolarHBondContact O-N 3.26Å; Y497-I501 VanDerWaalsContact OH-CD1 3.25Å; Y497-I501 WeakPolarHBondContact OH-CD1 3.2Å
498E90.7Very high88Confident74 Ų7454.2 Ų54.235%0.34628%0.28SS..Hα-helixtrans-61.7-34.3-178.6-79.1-69.5169.600112.9K485 S494 A495 K502K485-E498 IonicContact NZ-OE1 2.7Å; K485-E498 PolarHBondContact NZ-OE1 3.08Å; S494-E498 WeakPolarHBondContact O-CB 3.15Å; S494-E498 WeakPolarHBondContact O-CG 3.39Å; S494-E498 PolarHBondContact O-N 2.95Å; S494-E498 VanDerWaalsContact O-N 3.08Å; A495-E498 PolarHBondContact O-N 3.28Å; E498-K502 PolarHBondContact O-NZ 2.71Å; E498-K502 IonicContact OE2-NZ 3.19Å; E498-K502 PolarHBondContact OE2-NZ 3.33Å
499F90.8Very high87.5Confident77 Ų7756.7 Ų56.734%0.33829%0.292SS..Hα-helixtrans-76.1-44.1179-173.9-104.1000112.5Y258 K261 A495 E496 Y497Y258-F499 HydrophobicContact CD2-CB 3.88Å; Y258-F499 AromaticContact CD2-CD1 3.64Å; Y258-F499 HydrophobicContact CD2-CD1 3.64Å; Y258-F499 HydrophobicContact CD2-CE1 4.42Å; Y258-F499 AromaticContact CD2-CG 3.93Å; Y258-F499 HydrophobicContact CD2-CG 3.93Å; Y258-F499 HydrophobicContact CE2-CB 4.13Å; Y258-F499 HydrophobicContact CE2-CD1 4.32Å; Y258-F499 HydrophobicContact CE2-CG 4.23Å; K261-F499 HydrophobicContact CB-CE1 3.85Å; K261-F499 HydrophobicContact CB-CZ 4.29Å; K261-F499 HydrophobicContact CD-CE1 4.35Å; A495-F499 WeakPolarHBondContact O-CB 3.3Å; A495-F499 PolarHBondContact O-N 2.8Å; E496-F499 PolarHBondContact O-N 3.19Å; Y497-F499 VanDerWaalsContact C-N 3.27Å; Y497-F499 PolarHBondContact O-N 2.88Å
500I91.7Very high86.6Confident0 Ų054.4 Ų54.40%028%0.282CS..Hα-helixtrans-89-30.1-171.5-63.3-57.9000114F254 M257 K261 E496 Y497 K502 Q503 F504F254-I500 HydrophobicContact CB-CB 4.41Å; F254-I500 HydrophobicContact CB-CG2 4.36Å; F254-I500 HydrophobicContact CD1-CB 4.33Å; F254-I500 HydrophobicContact CD1-CG2 3.54Å; F254-I500 HydrophobicContact CD2-CB 4.16Å; F254-I500 HydrophobicContact CD2-CG2 4.21Å; F254-I500 HydrophobicContact CE1-CG2 3.73Å; F254-I500 HydrophobicContact CE2-CB 4.49Å; F254-I500 HydrophobicContact CE2-CG2 4.37Å; F254-I500 HydrophobicContact CG-CB 4.06Å; F254-I500 HydrophobicContact CG-CG2 3.78Å; F254-I500 HydrophobicContact CZ-CG2 4.15Å; M257-I500 HydrophobicContact CB-CD1 3.61Å; M257-I500 HydrophobicContact CB-CG1 4.06Å; M257-I500 HydrophobicContact CB-CG2 4.32Å; M257-I500 HydrophobicContact CE-CG2 4.05Å; M257-I500 HydrophobicContact SD-CG2 3.89Å; K261-I500 HydrophobicContact CD-CD1 4.39Å; E496-I500 VanDerWaalsContact O-CB 3.3Å; E496-I500 WeakPolarHBondContact O-CB 3.22Å; E496-I500 WeakPolarHBondContact O-CG1 3.46Å; E496-I500 PolarHBondContact O-N 3.32Å; Y497-I500 PolarHBondContact O-N 3.19Å; I500-K502 PolarHBondContact O-N 3.43Å; I500-K502 VanDerWaalsContact O-N 3.09Å; I500-Q503 HydrophobicContact CD1-CG 4.24Å; I500-Q503 VanDerWaalsContact O-CB 3.23Å; I500-Q503 WeakPolarHBondContact O-CB 3.36Å; I500-Q503 WeakPolarHBondContact O-CG 3.38Å; I500-Q503 PolarHBondContact O-N 2.92Å; I500-F504 HydrophobicContact CG2-CD2 4.28Å; I500-F504 HydrophobicContact CG2-CE2 3.75Å
501I89.8Confident85.7Confident41 Ų4151.9 Ų51.921%0.2127%0.273CS..G310 helixtrans-56.7-34.1179.4-169.6162.3000112.5F254 Y497 Q503 F504 V507F254-I501 HydrophobicContact CE2-CB 4.48Å; Y497-I501 HydrophobicContact CE1-CD1 4.01Å; Y497-I501 HydrophobicContact CE1-CG2 4.44Å; Y497-I501 HydrophobicContact CE2-CD1 3.92Å; Y497-I501 VanDerWaalsContact CZ-CD1 3.46Å; Y497-I501 WeakPolarHBondContact O-CB 3.48Å; Y497-I501 WeakPolarHBondContact O-CG2 3.28Å; Y497-I501 PolarHBondContact O-N 3.26Å; Y497-I501 VanDerWaalsContact OH-CD1 3.25Å; Y497-I501 WeakPolarHBondContact OH-CD1 3.2Å; I501-Q503 PolarHBondContact O-N 2.93Å; I501-F504 PolarHBondContact O-N 3Å; I501-V507 HydrophobicContact CD1-CB 4.22Å; I501-V507 HydrophobicContact CG1-CB 4.03Å; I501-V507 HydrophobicContact CG1-CG2 3.91Å
502K89.4Confident84.1Confident138 Ų13853 Ų5360%0.628%0.281SS*.G310 helixtrans-73.6-1.2179.7-53.6-174.1179.981.10113.6E498 I500E498-K502 PolarHBondContact O-NZ 2.71Å; E498-K502 IonicContact OE2-NZ 3.19Å; E498-K502 PolarHBondContact OE2-NZ 3.33Å; I500-K502 PolarHBondContact O-N 3.43Å; I500-K502 VanDerWaalsContact O-N 3.09Å
503Q89.3Confident82.4Confident62 Ų6252.7 Ų52.729%0.2927%0.27SS..G310 helixtrans-99.7-11.9-178.9-53.4-70.1-49.800113.3T320 N321 I500 I501T320-Q503 CarbonylContact C-O 3.08Å; T320-Q503 WeakPolarHBondContact CB-O 3.37Å; T320-Q503 PolarHBondContact OG1-O 3.34Å; N321-Q503 VanDerWaalsContact CA-O 3.3Å; N321-Q503 WeakPolarHBondContact CA-O 3.36Å; N321-Q503 PolarHBondContact N-O 2.99Å; I500-Q503 HydrophobicContact CD1-CG 4.24Å; I500-Q503 VanDerWaalsContact O-CB 3.23Å; I500-Q503 WeakPolarHBondContact O-CB 3.36Å; I500-Q503 WeakPolarHBondContact O-CG 3.38Å; I500-Q503 PolarHBondContact O-N 2.92Å; I501-Q503 PolarHBondContact O-N 2.93Å
504F90.3Very high80.8Confident15 Ų1553.3 Ų53.37%0.06627%0.273CS..SBendtrans-100.9159178.1-73.4-90000110.8F254 M257 I305 T320 L323 L325 I500 I501 N506 V507F254-F504 HydrophobicContact CD1-CE2 4.47Å; F254-F504 HydrophobicContact CE1-CD2 4.28Å; F254-F504 AromaticContact CE1-CE2 3.78Å; F254-F504 HydrophobicContact CE1-CE2 3.78Å; M257-F504 HydrophobicContact CE-CE2 3.86Å; M257-F504 HydrophobicContact CE-CZ 4Å; M257-F504 HydrophobicContact SD-CE2 3.79Å; M257-F504 HydrophobicContact SD-CZ 3.72Å; I305-F504 HydrophobicContact CD1-CE1 4.23Å; I305-F504 HydrophobicContact CD1-CZ 4.13Å; T320-F504 HydrophobicContact CG2-CE1 4.02Å; T320-F504 HydrophobicContact CG2-CZ 4.05Å; L323-F504 HydrophobicContact CB-CD1 3.94Å; L323-F504 HydrophobicContact CB-CE1 4.26Å; L325-F504 HydrophobicContact CB-CD1 3.96Å; L325-F504 HydrophobicContact CB-CE1 4.17Å; L325-F504 HydrophobicContact CB-CG 4.42Å; L325-F504 HydrophobicContact CD2-CE1 4.21Å; L325-F504 HydrophobicContact CD2-CE2 4.29Å; L325-F504 HydrophobicContact CD2-CZ 4.06Å; I500-F504 HydrophobicContact CG2-CD2 4.28Å; I500-F504 HydrophobicContact CG2-CE2 3.75Å; I501-F504 PolarHBondContact O-N 3Å; F504-N506 VanDerWaalsContact C-N 3.31Å; F504-V507 HydrophobicContact CB-CG2 3.61Å; F504-V507 HydrophobicContact CD2-CG2 4.06Å; F504-V507 HydrophobicContact CG-CG2 3.96Å
505A88.4Confident79.3Confident54 Ų5452.6 Ų52.645%0.44627%0.265SS..SBendtrans-67.4-35.8173.800000111.9K322 L323K322-A505 VanDerWaalsContact C-CB 3.49Å; K322-A505 WeakPolarHBondContact O-CB 3.48Å; L323-A505 PolarHBondContact O-N 3.27Å
506N86.3Confident77.1Confident48 Ų4852.6 Ų52.626%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-159.6143.5174.5168.259.7000108.8N324 L325 F504 R508N324-N506 WeakPolarHBondContact CA-O 3.45Å; N324-N506 WeakPolarHBondContact OD1-CB 3.29Å; L325-N506 PolarHBondContact N-O 3.15Å; F504-N506 VanDerWaalsContact C-N 3.31Å; N506-R508 PolarHBondContact ND2-NH1 3.46Å
507V86.5Confident75.2Confident10 Ų1053.6 Ų53.66%0.06126%0.261CS..EExtended strand (participates in β ladder)trans-127.6115.9168.5-173.60000107.6F254 L325 V327 I501 F504F254-V507 HydrophobicContact CZ-CG1 4.18Å; F254-V507 HydrophobicContact CZ-CG2 4.27Å; L325-V507 HydrophobicContact CB-CG1 4.38Å; L325-V507 HydrophobicContact CB-CG2 4.25Å; L325-V507 HydrophobicContact CD2-CG1 4.34Å; L325-V507 WeakPolarHBondContact O-CA 3.43Å; V327-V507 HydrophobicContact CG2-CG1 4.16Å; I501-V507 HydrophobicContact CD1-CB 4.22Å; I501-V507 HydrophobicContact CG1-CB 4.03Å; I501-V507 HydrophobicContact CG1-CG2 3.91Å; F504-V507 HydrophobicContact CB-CG2 3.61Å; F504-V507 HydrophobicContact CD2-CG2 4.06Å; F504-V507 HydrophobicContact CG-CG2 3.96Å
508R82Confident73.3Confident95 Ų9555.1 Ų55.136%0.35827%0.268SS..EExtended strand (participates in β ladder)trans-138.3163.7176.569.8168.3168.4-11611.7112.4L325 F326 V327 N506 A510 E514L325-R508 PolarHBondContact O-N 3.05Å; F326-R508 CarbonylContact C-O 3.5Å; F326-R508 WeakPolarHBondContact CA-O 3.32Å; F326-R508 HydrophobicContact CD1-CG 3.87Å; F326-R508 HydrophobicContact CE1-CG 4.24Å; V327-R508 PolarHBondContact N-O 3.15Å; N506-R508 PolarHBondContact ND2-NH1 3.46Å; R508-A510 PolarHBondContact O-N 3.49Å; R508-E514 IonicContact CZ-OE1 2.64Å; R508-E514 IonicContact NE-OE1 2.67Å; R508-E514 PolarHBondContact NE-OE1 2.91Å; R508-E514 IonicContact NE-OE2 3.38Å; R508-E514 IonicContact NH2-OE1 2.67Å; R508-E514 PolarHBondContact NH2-OE1 3.22Å
509M77Confident71.1Confident52 Ų5253.4 Ų53.426%0.25626%0.263SS..EExtended strand (participates in β ladder)trans-61.5135.3163.4-63.2-53.9-66.700109.3V327 I484 L487V327-M509 HydrophobicContact CB-SD 4.02Å; V327-M509 HydrophobicContact CG1-CE 4.43Å; V327-M509 HydrophobicContact CG1-SD 4.16Å; V327-M509 CarbonylContact O-C 3.47Å; V327-M509 WeakPolarHBondContact O-CA 3.33Å; V327-M509 VanDerWaalsContact O-CE 3.25Å; V327-M509 WeakPolarHBondContact O-CE 3.33Å; I484-M509 HydrophobicContact CD1-CG 4.08Å; I484-M509 HydrophobicContact CD1-SD 4.35Å; I484-M509 HydrophobicContact CG1-CG 3.87Å; I484-M509 HydrophobicContact CG1-SD 4Å; L487-M509 HydrophobicContact CD1-SD 4.36Å
510A67.8Low68.5Low17 Ų1752.8 Ų52.814%0.1426%0.263CS..PPolyproline II helixtrans-71.2126.6178.900000110.6I244 F326 V327 A328 R508 E514 I515I244-A510 HydrophobicContact CG2-CB 4.38Å; F326-A510 HydrophobicContact CB-CB 3.71Å; V327-A510 PolarHBondContact O-N 3.21Å; A328-A510 HydrophobicContact CB-CB 4.49Å; R508-A510 PolarHBondContact O-N 3.49Å; A510-E514 WeakPolarHBondContact CA-OE2 3.39Å; A510-I515 HydrophobicContact CB-CD1 4.05Å; A510-I515 HydrophobicContact CB-CG1 3.79Å
511D60Low65.9Low85 Ų8556.4 Ų56.446%0.45528%0.279SS..PPolyproline II helixtrans-68.6153.7167.4-86.8-16.9000110.5W513 E514 I515D511-W513 VanDerWaalsContact CB-CD1 3.47Å; D511-W513 HydrophobicContact CB-CG 4.29Å; D511-W513 PolarHBondContact O-N 3.07Å; D511-W513 VanDerWaalsContact O-N 3.16Å; D511-W513 PolarHBondContact OD2-NE1 3.24Å; D511-E514 HydrophobicContact CB-CG 4.08Å; D511-E514 PolarHBondContact N-OE2 3.35Å; D511-E514 WeakPolarHBondContact O-CB 3.42Å; D511-E514 PolarHBondContact O-N 3.25Å; D511-I515 PolarHBondContact O-N 3.18Å
512V48.4Very low63.3Low73 Ų7358.9 Ų58.944%0.44229%0.293SS..Hα-helixtrans-52.3-41.2179.51780000112.1V341 I515 E516V341-V512 HydrophobicContact CG1-CG1 3.92Å; V512-I515 PolarHBondContact O-N 3.41Å; V512-E516 WeakPolarHBondContact O-CG 3.35Å; V512-E516 PolarHBondContact O-N 2.8Å
513W49.9Very low60.5Low137 Ų13756 Ų5652%0.51928%0.28SS..Hα-helixtrans-73.4-25.2-179.266.7-92000113.4D511 Q517D511-W513 VanDerWaalsContact CB-CD1 3.47Å; D511-W513 HydrophobicContact CB-CG 4.29Å; D511-W513 PolarHBondContact O-N 3.07Å; D511-W513 VanDerWaalsContact O-N 3.16Å; D511-W513 PolarHBondContact OD2-NE1 3.24Å; W513-Q517 WeakPolarHBondContact O-CG 3.44Å; W513-Q517 PolarHBondContact O-N 3.24Å; W513-Q517 VanDerWaalsContact O-N 3.12Å
514E56.6Low57.8Low13 Ų1358.7 Ų58.76%0.06129%0.293CS..Hα-helixtrans-70.5-43.5175.6-64177.5139.900109.9I244 F326 R508 A510 D511 E516 Q517 F518I244-E514 VanDerWaalsContact CD1-C 3.48Å; I244-E514 HydrophobicContact CD1-CB 4.11Å; I244-E514 VanDerWaalsContact CD1-O 3.26Å; I244-E514 WeakPolarHBondContact CD1-O 3.42Å; F326-E514 VanDerWaalsContact CD1-OE2 3.3Å; F326-E514 WeakPolarHBondContact CD1-OE2 3.35Å; F326-E514 VanDerWaalsContact CE1-OE1 3.23Å; F326-E514 WeakPolarHBondContact CE1-OE1 3.45Å; R508-E514 IonicContact CZ-OE1 2.64Å; R508-E514 IonicContact NE-OE1 2.67Å; R508-E514 PolarHBondContact NE-OE1 2.91Å; R508-E514 IonicContact NE-OE2 3.38Å; R508-E514 IonicContact NH2-OE1 2.67Å; R508-E514 PolarHBondContact NH2-OE1 3.22Å; A510-E514 WeakPolarHBondContact CA-OE2 3.39Å; D511-E514 HydrophobicContact CB-CG 4.08Å; D511-E514 PolarHBondContact N-OE2 3.35Å; D511-E514 WeakPolarHBondContact O-CB 3.42Å; D511-E514 PolarHBondContact O-N 3.25Å; E514-E516 VanDerWaalsContact C-N 3.31Å; E514-E516 PolarHBondContact O-N 3.47Å; E514-Q517 PolarHBondContact O-N 2.97Å; E514-F518 PolarHBondContact O-N 2.84Å; E514-F518 VanDerWaalsContact O-N 3.12Å
515I57.5Low55.1Low26 Ų2662.2 Ų62.213%0.13332%0.315CS..Hα-helixtrans-60.4-40.9174.8-56.4171.2000110.7I244 A328 A510 D511 V512 F518 T519I244-I515 HydrophobicContact CG2-CG1 4.41Å; A328-I515 HydrophobicContact CB-CD1 3.96Å; A510-I515 HydrophobicContact CB-CD1 4.05Å; A510-I515 HydrophobicContact CB-CG1 3.79Å; D511-I515 PolarHBondContact O-N 3.18Å; V512-I515 PolarHBondContact O-N 3.41Å; I515-F518 PolarHBondContact O-N 3.01Å; I515-T519 HydrophobicContact CG2-CG2 4.35Å; I515-T519 WeakPolarHBondContact O-CB 3.49Å; I515-T519 WeakPolarHBondContact O-CG2 3.45Å; I515-T519 PolarHBondContact O-N 3.3Å; I515-T519 PolarHBondContact O-OG1 3.37Å
516E43.8Very low52.3Low52 Ų5265 Ų6524%0.24332%0.323CS..Hα-helixtrans-63.7-41.1175.9-75.4171.1-175.500113.3S342 V512 E514 T519 N520S342-E516 WeakPolarHBondContact OG-CG 3.42Å; S342-E516 PolarHBondContact OG-OE1 2.87Å; S342-E516 VanDerWaalsContact OG-OE1 3.06Å; V512-E516 WeakPolarHBondContact O-CG 3.35Å; V512-E516 PolarHBondContact O-N 2.8Å; E514-E516 VanDerWaalsContact C-N 3.31Å; E514-E516 PolarHBondContact O-N 3.47Å; E516-T519 PolarHBondContact O-OG1 3.1Å; E516-N520 PolarHBondContact O-N 3.36Å; E516-N520 PolarHBondContact O-ND2 2.96Å
517Q52.4Low49.9Very low45 Ų4565.6 Ų65.621%0.2133%0.331CS..Hα-helixtrans-65.6-44.7177.2-70.1-71-24.500111.3H424 W513 E514 N520 Q521H424-Q517 PolarHBondContact NE2-OE1 3.01Å; W513-Q517 WeakPolarHBondContact O-CG 3.44Å; W513-Q517 PolarHBondContact O-N 3.24Å; W513-Q517 VanDerWaalsContact O-N 3.12Å; E514-Q517 PolarHBondContact O-N 2.97Å; Q517-N520 PolarHBondContact O-N 3.07Å; Q517-Q521 WeakPolarHBondContact O-CG 3.46Å; Q517-Q521 PolarHBondContact O-N 3.41Å
518F50.7Low47.4Very low43 Ų4370.9 Ų70.919%0.18936%0.359CS..Hα-helixtrans-69.2-41.6-176.5-141.1-101.4000112.8N242 I244 E514 I515 N520 Q521 L522N242-F518 HydrophobicContact CB-CE2 4.21Å; N242-F518 VanDerWaalsContact O-CE2 3.24Å; N242-F518 WeakPolarHBondContact O-CE2 3.35Å; N242-F518 WeakPolarHBondContact O-CZ 3.43Å; I244-F518 HydrophobicContact CB-CD1 4.1Å; I244-F518 HydrophobicContact CB-CG 4.21Å; I244-F518 HydrophobicContact CD1-CB 3.56Å; I244-F518 HydrophobicContact CD1-CD2 4.17Å; I244-F518 HydrophobicContact CD1-CG 3.9Å; I244-F518 HydrophobicContact CG1-CB 3.9Å; I244-F518 HydrophobicContact CG1-CD1 4.04Å; I244-F518 HydrophobicContact CG1-CD2 3.82Å; I244-F518 HydrophobicContact CG1-CE2 4.33Å; I244-F518 HydrophobicContact CG1-CG 3.65Å; E514-F518 PolarHBondContact O-N 2.84Å; E514-F518 VanDerWaalsContact O-N 3.12Å; I515-F518 PolarHBondContact O-N 3.01Å; F518-N520 PolarHBondContact O-N 3.38Å; F518-Q521 PolarHBondContact O-N 3.45Å; F518-L522 HydrophobicContact CD1-CD1 4.24Å; F518-L522 PolarHBondContact O-N 2.91Å; F518-L522 VanDerWaalsContact O-N 3.14Å
519T45.1Very low45.1Very low39 Ų3972.1 Ų72.124%0.23938%0.377CS..Hα-helixtrans-67-20.1175.651.70000113.4I515 E516 K523I515-T519 HydrophobicContact CG2-CG2 4.35Å; I515-T519 WeakPolarHBondContact O-CB 3.49Å; I515-T519 WeakPolarHBondContact O-CG2 3.45Å; I515-T519 PolarHBondContact O-N 3.3Å; I515-T519 PolarHBondContact O-OG1 3.37Å; E516-T519 PolarHBondContact O-OG1 3.1Å; T519-K523 WeakPolarHBondContact O-CE 3.49Å; T519-K523 WeakPolarHBondContact O-CG 3.21Å
520N35.4Very low42.9Very low64 Ų6476.8 Ų76.834%0.34240%0.402SS..Hα-helixtrans-85.6-38.6171.4-72.9-44.6000112.7E516 Q517 F518 L522 K523 H524E516-N520 PolarHBondContact O-N 3.36Å; E516-N520 PolarHBondContact O-ND2 2.96Å; Q517-N520 PolarHBondContact O-N 3.07Å; F518-N520 PolarHBondContact O-N 3.38Å; N520-L522 VanDerWaalsContact C-N 3.28Å; N520-L522 PolarHBondContact O-N 2.85Å; N520-K523 WeakPolarHBondContact O-CB 3.37Å; N520-K523 PolarHBondContact O-N 3.07Å; N520-K523 WeakPolarHBondContact OD1-CE 3.31Å; N520-K523 PolarHBondContact OD1-NZ 2.73Å; N520-H524 PolarHBondContact O-CD2 2.89Å; N520-H524 PolarHBondContact O-N 2.89Å
521Q38.3Very low41Very low75 Ų7583.4 Ų83.435%0.3544%0.435SS..Hα-helixtrans-58-41.4173.5-71176.630.700111.9Q517 F518 K523 H524 T525Q517-Q521 WeakPolarHBondContact O-CG 3.46Å; Q517-Q521 PolarHBondContact O-N 3.41Å; F518-Q521 PolarHBondContact O-N 3.45Å; Q521-K523 PolarHBondContact O-N 3.4Å; Q521-H524 PolarHBondContact O-N 3.32Å; Q521-H524 VanDerWaalsContact O-N 3.15Å; Q521-T525 PolarHBondContact O-N 2.97Å; Q521-T525 VanDerWaalsContact O-N 3.14Å; Q521-T525 PolarHBondContact O-OG1 3.27Å
522L34Very low39.4Very low93 Ų9383.7 Ų83.749%0.48744%0.443SS..Hα-helixtrans-62.5-18.9174.4-82.1162.8000114.8F518 N520 N526F518-L522 HydrophobicContact CD1-CD1 4.24Å; F518-L522 PolarHBondContact O-N 2.91Å; F518-L522 VanDerWaalsContact O-N 3.14Å; N520-L522 VanDerWaalsContact C-N 3.28Å; N520-L522 PolarHBondContact O-N 2.85Å; L522-N526 PolarHBondContact O-ND2 2.94Å
523K31.7Very low38.4Very low78 Ų7887.4 Ų87.434%0.33946%0.461SS..Hα-helixtrans-79.7-40.2173.2-63.6168.3-165.4170.60111.1Y389 T519 N520 Q521 N526 S527Y389-K523 PolarHBondContact OH-NZ 2.88Å; T519-K523 WeakPolarHBondContact O-CE 3.49Å; T519-K523 WeakPolarHBondContact O-CG 3.21Å; N520-K523 WeakPolarHBondContact O-CB 3.37Å; N520-K523 PolarHBondContact O-N 3.07Å; N520-K523 WeakPolarHBondContact OD1-CE 3.31Å; N520-K523 PolarHBondContact OD1-NZ 2.73Å; Q521-K523 PolarHBondContact O-N 3.4Å; K523-N526 PolarHBondContact O-N 2.76Å; K523-S527 PolarHBondContact O-N 2.76Å
524H31.2Very low37.6Very low119 Ų11987.2 Ų87.255%0.55148%0.475SS*.Hα-helixtrans-73.1-38.7-177.6-66.4-60.4000112.8N520 Q521 N526 S527 D528N520-H524 PolarHBondContact O-CD2 2.89Å; N520-H524 PolarHBondContact O-N 2.89Å; Q521-H524 PolarHBondContact O-N 3.32Å; Q521-H524 VanDerWaalsContact O-N 3.15Å; H524-N526 PolarHBondContact O-N 3Å; H524-S527 PolarHBondContact O-N 3.44Å; H524-S527 PolarHBondContact O-OG 3.14Å; H524-D528 PolarHBondContact O-N 2.87Å
525T34.2Very low36.3Very low88 Ų8894.6 Ų94.654%0.5452%0.515SS..Hα-helixtrans-63.4-23.3174.354.40000113.3Q521Q521-T525 PolarHBondContact O-N 2.97Å; Q521-T525 VanDerWaalsContact O-N 3.14Å; Q521-T525 PolarHBondContact O-OG1 3.27Å
526N30.4Very low35Very low114 Ų11499.7 Ų99.761%0.6155%0.547SS*.Hα-helixtrans-92.3-15.4177.4-78.6-75.1000114.4L522 K523 H524L522-N526 PolarHBondContact O-ND2 2.94Å; K523-N526 PolarHBondContact O-N 2.76Å; H524-N526 PolarHBondContact O-N 3Å
527S35Very low34.4Very low60 Ų60104 Ų10442%0.4258%0.577SS.*Hα-helixtrans-79.8-37.5174.251.80000112.6K523 H524K523-S527 PolarHBondContact O-N 2.76Å; H524-S527 PolarHBondContact O-N 3.44Å; H524-S527 PolarHBondContact O-OG 3.14Å
528D33.2Very low33.4Very low121 Ų121107.8 Ų107.865%0.64760%0.603SS**G310 helixtrans-88.6-15.2-159.9-63.24.2000113.1H524 L530H524-D528 PolarHBondContact O-N 2.87Å; D528-L530 VanDerWaalsContact C-N 3.29Å; D528-L530 PolarHBondContact O-N 3.26Å
529V34.9Very low32.6Very low121 Ų121112.2 Ų112.273%0.73363%0.634SS**G310 helixtrans-76.3-14.4175.8-179.40000112.6
530L31Very low31.8Very low150 Ų150116.6 Ų116.679%0.78566%0.656SS**G310 helixtrans-96.23.9-174.5-95.3165.3000115.4D528D528-L530 VanDerWaalsContact C-N 3.29Å; D528-L530 PolarHBondContact O-N 3.26Å
531N27.8Very low31.8Very low155 Ų155122.4 Ų122.483%0.82968%0.68SS**SBendtrans-13247.3-169.4-1343.9000114.3
532S27.1Very low31.4Very low91 Ų91123.3 Ų123.364%0.63670%0.695SS**  trans-136.8139.4167.566.20000112.8
533N26.5Very low31.4Very low151 Ų151125.3 Ų125.381%0.80771%0.706SS**  trans64.872.4159.6-55.2-25.2000119.9
534T32Very low31.5Very low134 Ų134127.3 Ų127.382%0.82272%0.72SS**  trans-145.3102132.453.10000111.4
535N31Very low31.6Very low167 Ų167127.5 Ų127.589%0.89373%0.725SS**  trans-147.377161.3-114.1-11.4000109
536T29.8Very low31.7Very low134 Ų134129.5 Ų129.582%0.82273%0.733SS**  trans-94.1120.4178.346.30000110.7
537T31.8Very low32Very low141 Ų141130.3 Ų130.387%0.86573%0.733SS**  trans-135.2129.2162.8-54.20000109.1
538V29.8Very low31.9Very low125 Ų125136.2 Ų136.276%0.75875%0.747SS**  trans-86.9131.4-170.3174.40000111.2
539V34.3Very low32Very low137 Ų137136 Ų13683%0.8375%0.746SS**  trans-149.4143.1137-172.80000108.7
540N28.4Very low32.2Very low131 Ų131138.5 Ų138.570%0.70175%0.75SS**  trans-76.3155.3174.7-58.1-49.1000112.2
541H34.8Very low32.5Very low186 Ų186134.9 Ų134.986%0.86174%0.741SS**  -168.4149.1112.5-104-65.6000113.9
542S30.2Very low33Very low93 Ų93136.3 Ų136.365%0.6574%0.74SS**  trans-73.9146.1178.9-31.50000113
543N33.4Very low33.4Very low135 Ų135137.3 Ų137.372%0.72274%0.738SS**  172.9145.3101.8-96.7-14.4000115.6
544N34.6Very low34Very low121 Ų121137 Ų13765%0.64773%0.732SS**  trans61.2117.9136.9-65.8-0.4000122.8
545N34.5Very low34.3Very low122 Ų122138.6 Ų138.665%0.65273%0.73SS**  99.8124.3119.5-725.2000121
546N36.2Very low34.5Very low130 Ų130141.2 Ų141.270%0.69573%0.727SS**  trans76.6150.9137.5-65.71.4000119.4
547Q34.9Very low34.7Very low131 Ų131141.6 Ų141.661%0.61272%0.723SS**  cis-172.4168-25.5-169168.618.100107.1
548Y34.6Very low34.5Very low184 Ų184139.8 Ų139.872%0.72272%0.716SS**  trans72.2154.1171.6-59.4-88.2000117.2
549N35.1Very low34.8Very low117 Ų117142.1 Ų142.163%0.62672%0.723SS**  cis-170.2166-45.6-119.3-4.4000110.4
550H38.3Very low34.4Very low174 Ų174143.6 Ų143.681%0.80673%0.726SS**  trans70153.2166.1-58.2-66.1000118.5
551A36.9Very low34.6Very low74 Ų74143 Ų14361%0.61273%0.732SS**  cis-172.2159.2-31.500000109.8
552K38Very low34.3Very low184 Ų184142 Ų14280%0.873%0.728SS**  trans73.3147162.2-52.9-161.4170.4-169.90117.6
553D36.5Very low34.4Very low113 Ų113148.4 Ų148.460%0.60474%0.739SS**  cis-162.4173.9-21.8-104.4-35.4000109.9
554H39.5Very low34.2Very low143 Ų143149.1 Ų149.166%0.66274%0.743SS**  trans78.397.4158.1-59-56.2000121.5
555H38.3Very low34.1Very low169 Ų169148.7 Ų148.778%0.78275%0.747SS**  69.6144.6128.3-51.9-44.8000120
556R34.7Very low34.2Very low221 Ų221149.5 Ų149.583%0.83476%0.756SS**  cis-151147.63.9-156.8172173.3170.3-4112.2
557L33.2Very low33.8Very low143 Ų143150.1 Ų150.175%0.74976%0.759SS**  trans-9.7128.3162-56.8162.3000116.9
558S28.9Very low33.9Very low103 Ų103153 Ų15372%0.7277%0.772SS**  72.9113.551.9-55.50000115.5
559L34.7Very low33.6Very low173 Ų173152.6 Ų152.691%0.90678%0.777SS**  177.8155.6114.1-95.3166.2000113.3
560L27.5Very low33.5Very low169 Ų169158.6 Ų158.689%0.88579%0.791SS**  trans-88.9149.3172.4-77.966.2000110.7
561S32Very low33.1Very low118 Ų118154.9 Ų154.983%0.82578%0.784SS**  trans-151.9138.6142.6-170.70000112.3
562Q29.2Very low32.9Very low165 Ų165159.9 Ų159.977%0.77180%0.8SS**  trans-67.5156.2167.8-58.7143.3-14.800110.8
563Y30.3Very low32.5Very low228 Ų228156.4 Ų156.489%0.89480%0.799SS**  -172.1167.5114.9-118.9-98.3000112
564N29.2Very low32.3Very low150 Ų150157.2 Ų157.280%0.80281%0.807SS**  trans-105.3166.1-173.7-113-8.3000113.3
565P34.5Very low31.9Very low112 Ų112154.7 Ų154.773%0.72781%0.806SS**  trans-90.7168.3-167.337.1-38000115.5
566V34.6Very low31.5Very low139 Ų139153.8 Ų153.884%0.84281%0.807SS**  trans-143.5146.7168.1-179.30000109.8
567D29.1Very low31.6Very low142 Ų142151.6 Ų151.676%0.75981%0.806SS**  trans-71.5166-174.6-48.3-97.4000116
568H35.8Very low31.6Very low193 Ų193148.5 Ų148.589%0.89480%0.796SS**  trans-155.1122.2140.7-111-61.5000112.6
569E29.4Very low31.8Very low174 Ų174151.1 Ų151.181%0.81380%0.802SS**  trans-74.5151.9167.5-65.3-167.2137.600112.1
570R32.3Very low31.7Very low243 Ų243147.8 Ų147.892%0.91779%0.793SS**  trans-152.1114.8141.2-157.8168.2-169155.94.3113
571S30.3Very low31.9Very low96 Ų96146.5 Ų146.567%0.67179%0.787SS**  trans-88.2148.5175.323.70000112.4
572L33.2Very low32.1Very low179 Ų179148.2 Ų148.294%0.93779%0.786SS**  trans-143.5153.8152.4-81.9-173.2000110
573S29.5Very low32.1Very low112 Ų112146.5 Ų146.578%0.78378%0.782SS**  trans-148.2149.4-167.156.20000111.5
574V33Very low32Very low129 Ų129140.5 Ų140.578%0.78277%0.769SS**  trans-179.9114.3162.5138.70000104.3
575S30.9Very low31.9Very low90 Ų90141.3 Ų141.363%0.62977%0.773SS**  69.2136.959.980.90000112.9
576N29.8Very low31.5Very low151 Ų151139.9 Ų139.981%0.80777%0.766SS**  cis-163.7-1631.8-128.415.3000109.7
577E36.3Very low31.2Very low174 Ų174141.1 Ų141.181%0.81376%0.762SS**  trans86.5146.6158.1-53.7-147.610200119.1
578S34.2Very low31.3Very low78 Ų78142 Ų14255%0.54577%0.765SS.*  cis-168.6137.6-21.5-97.80000111
579L32.4Very low31.1Very low158 Ų158138.5 Ų138.583%0.82776%0.76SS**  trans59.4158.8139.1-62.9175000120
580S32.9Very low31.2Very low103 Ų103135.9 Ų135.972%0.7276%0.76SS**  cis-154.5166.2-2.530.30000111.8
581D31.6Very low31.1Very low142 Ų142131.8 Ų131.876%0.75976%0.755SS**  trans-58.5171.4174.5-41.6-97.8000115.4
582L35.1Very low31.1Very low154 Ų154135 Ų13581%0.80676%0.761SS**  trans-170117.8130.3-99.4166.1000111.9
583N29.1Very low31Very low130 Ų130131.8 Ų131.870%0.69575%0.754SS**  38.5145.6123-71.63.6000121.4
584T28.3Very low31.1Very low102 Ų102129.5 Ų129.563%0.62675%0.748SS**  cis158.4141.7-14.135.10000105.6
585L27Very low31.3Very low166 Ų166131 Ų13187%0.86975%0.75SS**  trans66.8160158.9-62.8167.4000115.8
586S26.6Very low31.4Very low83 Ų83133.9 Ų133.958%0.5875%0.754SS**  cis-157.6178.6-5.739.80000112.2
587E29.1Very low31.6Very low165 Ų165133 Ų13377%0.77175%0.748SS**  trans66.492.9145-73.5143.216500122.8
588I31.5Very low31.5Very low160 Ų160132.4 Ų132.482%0.82175%0.745SS**  12.6125.3111.3-66.6171.5000115.9
589P31.2Very low31.7Very low120 Ų120133.7 Ų133.778%0.77975%0.752SS**  -147.9161.595.338.5-21.8000118
590S30.7Very low32.2Very low118 Ų118131.1 Ų131.183%0.82575%0.745SS**  trans-95.6140.1178.2-52.20000113.8
591I30.7Very low32.3Very low158 Ų158131.3 Ų131.381%0.8175%0.746SS**  trans-146.6121.4159.5-47.9178000105.3
592M29Very low32.5Very low163 Ų163129.8 Ų129.880%0.80374%0.742SS**  cis100.7137.429.5-165.7-178.182.500113.4
593S32.3Very low32.4Very low112 Ų112130 Ų13078%0.78374%0.742SS**  trans89.6141.9177-37.80000115.7
594G31.7Very low33Very low64 Ų64128.8 Ų128.866%0.6674%0.742SS**  cis167.3-171.1-5.300000113.5
595I37.8Very low33.4Very low161 Ų161128.7 Ų128.783%0.82675%0.745SS**  trans76131.4173.1-54171.8000114.1
596Q31.9Very low33.9Very low150 Ų150128.2 Ų128.270%0.70174%0.743SS**  cis146.3156.5-9.2-99.5174.3-72.700106.7
597L34.1Very low34.1Very low133 Ų133129.8 Ų129.870%0.69675%0.745SS**  cis-155.3171.77.4-90.2132.3000106.3
598E35.3Very low34.6Very low160 Ų160131.1 Ų131.175%0.74874%0.744SS**  cis-165.7-176.3-35.5-108.5-157.458.800109.3
599P38.2Very low34.9Very low105 Ų105127.2 Ų127.268%0.68274%0.736SS**  trans-101.3-139.2-168.733-15.8000112.5
600P43.2Very low35.1Very low105 Ų105128.3 Ų128.368%0.68273%0.73SS**  cis-149.4-170.1-7.940.5-17.9000118.8
601S33.8Very low35.6Very low106 Ų106130.2 Ų130.274%0.74173%0.726SS**  trans77.2158.215067.20000119.5
602T35.5Very low35.8Very low111 Ų111129.9 Ų129.968%0.68172%0.721SS**  cis-161.5114.334.3-60.10000116.4
603I34.5Very low36.2Very low157 Ų157128 Ų12881%0.80572%0.718SS**  trans62.7-167.7141.4-26.1170.9000120.1
604P41Very low36.3Very low106 Ų106128.6 Ų128.669%0.68871%0.713SS**  -130.3-174.5-115.844.8-27.5000119.4
605S37.1Very low36.6Very low100 Ų100133.7 Ų133.770%0.69972%0.719SS**  173.6135.4122.4-77.40000117.6
606L36.6Very low36.3Very low156 Ų156129.9 Ų129.982%0.81772%0.72SS**  trans40.9152.5136.6-78.884.9000123.7
607N31.8Very low36.4Very low116 Ų116126.9 Ų126.962%0.6273%0.729SS**  cis-171.9177.3-21.5-153.926.7000111.5
608Y38.5Very low36.2Very low193 Ų193128.1 Ų128.176%0.75774%0.736SS**  trans69.3146.3174-61.6-77.6000115.1
609A37.2Very low36.7Very low78 Ų78124.6 Ų124.665%0.64573%0.727SS**  cis-169.1-174.1-600000108.2
610E36.6Very low36.4Very low143 Ų143128.1 Ų128.167%0.66873%0.732SS**  -161.1140-58-90.1121.7-135.900103.4
611H40.2Very low36Very low157 Ų157131.3 Ų131.373%0.72774%0.738SS**  -139.6179.253.8-90.8-83.4000110.1
612E36.7Very low35.7Very low151 Ų151132.6 Ų132.671%0.70674%0.736SS**  cis70.2142.143.6-53.4-168.2131.500116.2
613T36.3Very low35.6Very low123 Ų123136.1 Ų136.176%0.75574%0.738SS**  cis-163174.9-10.624.20000108
614D33.9Very low35.4Very low125 Ų125137.2 Ų137.267%0.66874%0.737SS**  -166.6-179.5-52.6-173.931.5000108.5
615H38.3Very low34.8Very low172 Ų172138.8 Ų138.880%0.79674%0.738SS**  trans76.1147.9170.7-49.7-15.9000116.7
616G30.8Very low34.4Very low81 Ų81141 Ų14184%0.83574%0.741SS**  cis158.7136-7.800000112.1
617G35.1Very low34Very low86 Ų86137.9 Ų137.989%0.88773%0.729SS**  trans165.4122.7176.100000116.5
618N30.7Very low33.9Very low160 Ų160140.2 Ų140.286%0.85674%0.736SS**  trans-150.8177.8177-145.1-2.8000105.9
619P44.8Very low33.5Very low86 Ų86139.8 Ų139.856%0.55874%0.738SS**  cis-135.4-165.7-17.623.92.7000113.4
620K32Very low33.3Very low179 Ų179142 Ų14278%0.77875%0.746SS**  trans81.5118.1154.1-47.5171.5-176.4172.10119.9
621Q34.8Very low32.8Very low172 Ų172138.9 Ų138.980%0.80475%0.752SS**  161.5126.7104.1-81.6-169.157.300108.7
622L28.1Very low32.2Very low133 Ų133137.6 Ų137.670%0.69676%0.759SS**  104141.451.6-126.3169.6000111.1
623Y31.8Very low32.3Very low185 Ų185136 Ų13673%0.72576%0.762SS**  trans76.3137.5-177.6-55.7-72.8000116
624K32Very low31.7Very low180 Ų180136 Ų13678%0.78377%0.766SS**  cis-154.9147.4-7.4-145.9166.1-177.5177.90112.1
625L27.6Very low31.3Very low138 Ų138138.6 Ų138.672%0.72377%0.773SS**  trans-1.8136.9143.7-139.573.4000115.9
626L28.5Very low30.8Very low146 Ų146136 Ų13676%0.76477%0.774SS**  cis-140.4-164.638.2-89.184.1000111.8
627T28.7Very low30.6Very low91 Ų91140.2 Ų140.256%0.55878%0.776SS**  -162.4152.8-67.244.70000109.8
628H28.8Very low30.3Very low166 Ų166143.5 Ų143.577%0.76977%0.772SS**  trans64.6144.6167.3-67.7-80.6000118.7
629K29.9Very low30Very low183 Ų183141.1 Ų141.180%0.79677%0.769SS**  cis-158.2157.3-28.5-125.1-162.6177.4-175.40107.9
630P32.7Very low29.3Very low126 Ų126141.8 Ų141.882%0.81878%0.775SS**  trans-98.5170.2-173.638.9-34.3000114.2
631G28.1Very low29.2Very low76 Ų76140.2 Ų140.278%0.78478%0.781SS**  trans-150.9135.8168.700000112
632C26.6Very low28.8Very low130 Ų130139.8 Ų139.888%0.87878%0.783SS**  trans-140.7-163.7-179.6-135.60000108.8
633P38.7Very low29Very low119 Ų119141.2 Ų141.277%0.77379%0.79SS**  trans-119.1153.2-134.439-22.5000117.1
634C24.4Very low28.6Very low123 Ų123141.1 Ų141.183%0.83180%0.796SS**  trans-162.5149155.547.70000107.4
635Q25Very low28.6Very low178 Ų178141.1 Ų141.183%0.83280%0.799SS**  cis91.593.823.2-156.1173.322.100115
636C27.1Very low28.6Very low119 Ų119142.9 Ų142.980%0.80480%0.801SS**  trans38.2127.1149.6-54.90000122.5
637L27.4Very low28.4Very low168 Ų168145.4 Ų145.488%0.8881%0.805SS**  trans-179.3122.8136.9-95.2158.4000105.9
638L27.7Very low28.4Very low155 Ų155145.8 Ų145.881%0.81281%0.812SS**  cis76.986.735.4-128.9-173.2000114.6
639S26.2Very low28.2Very low111 Ų111146 Ų14678%0.77682%0.815SS**  trans171.7151.7155.8-85.90000110.6
640S28.9Very low28.2Very low99 Ų99143.5 Ų143.569%0.69281%0.811SS**  cis-168144-17.3-94.90000109.5
641T30.6Very low28Very low147 Ų147142 Ų14290%0.90280%0.803SS**  trans-142.4129148.124.60000108.9
642L25.9Very low28.2Very low163 Ų163143.9 Ų143.985%0.85380%0.799SS**  trans-99.1115.9179.3-88.9160.2000109.8
643I31.9Very low28.4Very low163 Ų163142.5 Ų142.584%0.83679%0.786SS**  trans-131.9126.4155-57.2-177.8000106.7
644Q24.8Very low28.2Very low183 Ų183138.8 Ų138.886%0.85576%0.762SS**  trans-87.3123.9174.5-62.9176-68.100109.1
645E30.4Very low28.5Very low180 Ų180139.3 Ų139.384%0.84175%0.752SS**  trans-155.5-176.3145.8-123.7173.7178.800115.2
646K27.5Very low28.9Very low175 Ų175131.5 Ų131.576%0.76172%0.717SS**  trans-95142.8-150.6-68.3161.4-176145.40114.4
647K25.6Very low29.2Very low199 Ų199130.6 Ų130.687%0.86570%0.703SS**  trans46.7110.1144.5-63177.3176.8-178.40118
648S28.1Very low29.4Very low99 Ų99126.5 Ų126.569%0.69268%0.678SS**  -172.515187.960.50000112.3
649M25.5Very low29.8Very low171 Ų171124.2 Ų124.284%0.84267%0.671SS**  trans-104.7111.5166.9-81.2-178.264.800109.2
650N28.6Very low29.9Very low130 Ų130122.1 Ų122.170%0.69567%0.667SS**  trans-12359.2174.7-82.2-32.6000111.5V652N650-V652 PolarHBondContact O-N 2.69Å
651S28.7Very low29.8Very low94 Ų94126.9 Ų126.966%0.65768%0.679SS**  trans-8088.6167.458.60000110.3T653S651-T653 PolarHBondContact O-N 2.88Å; S651-T653 VanDerWaalsContact O-N 3.16Å
652V32.7Very low30Very low116 Ų116127 Ų12770%0.70368%0.679SS**  trans-80.193.8179.8-176.70000110.5N650 T654N650-V652 PolarHBondContact O-N 2.69Å; V652-T654 PolarHBondContact O-N 2.97Å
653T30.1Very low30.2Very low100 Ų100128.7 Ų128.761%0.61368%0.679SS**  trans-84.396.7175.3-56.50000110.7S651 Q655S651-T653 PolarHBondContact O-N 2.88Å; S651-T653 VanDerWaalsContact O-N 3.16Å; T653-Q655 PolarHBondContact O-N 3.02Å; T653-Q655 VanDerWaalsContact O-N 3.13Å
654T35.4Very low30Very low41 Ų41124.7 Ų124.725%0.25268%0.678SS.*  trans-66.4106.7178.3-48.50000111.6V652 T656V652-T654 PolarHBondContact O-N 2.97Å; T654-T656 PolarHBondContact O-N 3.21Å
655Q30.7Very low30.5Very low134 Ų134124.2 Ų124.263%0.62667%0.673SS**  trans-87.780.6-179.9-65.5-171.124.700112.7T653 L657T653-Q655 PolarHBondContact O-N 3.02Å; T653-Q655 VanDerWaalsContact O-N 3.13Å; Q655-L657 PolarHBondContact O-N 3.41Å
656T33.9Very low30.6Very low15 Ų15123.2 Ų123.29%0.09267%0.666CS.*  trans-8181.9175.6-41.40000111.8S140 T654 F658S140-T656 WeakPolarHBondContact CB-OG1 3.35Å; S140-T656 WeakPolarHBondContact OG-CB 3.38Å; S140-T656 PolarHBondContact OG-OG1 3.23Å; T654-T656 PolarHBondContact O-N 3.21Å; T656-F658 HydrophobicContact CG2-CD2 3.51Å; T656-F658 HydrophobicContact CG2-CE2 3.38Å; T656-F658 HydrophobicContact CG2-CG 4.42Å; T656-F658 HydrophobicContact CG2-CZ 4.19Å; T656-F658 PolarHBondContact O-N 3.16Å; T656-F658 VanDerWaalsContact O-N 3.13Å
657L32.1Very low30.6Very low99 Ų99124.5 Ų124.552%0.51867%0.672SS.*  trans-78.686.9172.6-90.6167.3000111.7Q655 T659Q655-L657 PolarHBondContact O-N 3.41Å; L657-T659 PolarHBondContact O-N 2.98Å
658F32.1Very low31Very low82 Ų82126.1 Ų126.136%0.3668%0.675SS.*  trans-84.975.8166.1-80.5-60.2000111.7F348 T656F348-F658 HydrophobicContact CD1-CZ 4.48Å; F348-F658 AromaticContact CE1-CE2 3.9Å; F348-F658 HydrophobicContact CE1-CE2 3.9Å; F348-F658 AromaticContact CE1-CZ 3.85Å; F348-F658 HydrophobicContact CE1-CZ 3.85Å; T656-F658 HydrophobicContact CG2-CD2 3.51Å; T656-F658 HydrophobicContact CG2-CE2 3.38Å; T656-F658 HydrophobicContact CG2-CG 4.42Å; T656-F658 HydrophobicContact CG2-CZ 4.19Å; T656-F658 PolarHBondContact O-N 3.16Å; T656-F658 VanDerWaalsContact O-N 3.13Å
659T36Very low31.3Very low107 Ų107130 Ų13066%0.65668%0.682SS**  trans-108.5134.515652.80000108.7L657L657-T659 PolarHBondContact O-N 2.98Å
660G28.3Very low31.7Very low68 Ų68130.3 Ų130.370%0.70168%0.681SS**  trans-67.1170.317800000113.4
661E26.7Very low31.8Very low199 Ų199130.2 Ų130.293%0.9369%0.685SS**  trans62.781.5165.3-53.8-17116600118.4
662V34.1Very low32.3Very low149 Ų149134.1 Ų134.190%0.90369%0.693SS**  trans-137.6143145.6-174.80000109.9
663K30.3Very low32.6Very low198 Ų198136.5 Ų136.586%0.86170%0.702SS**  trans-75.4143.4-178.8-64.8167.6179.4171.70111.9
664G28.5Very low32.9Very low79 Ų79134.8 Ų134.881%0.81470%0.704SS**  trans-84.1126.7169.200000112.7
665K34.4Very low33.2Very low173 Ų173141 Ų14175%0.75273%0.73SS**  trans-179.8138.3171.6-107.3177.8172.3-166.70106
666F32.4Very low33.6Very low159 Ų159140 Ų14070%0.69773%0.729SS**  cis-134.2166.1-6.1-79-96.6000108.1
667F29.4Very low33.9Very low203 Ų203146.1 Ų146.189%0.8976%0.756SS**  trans178.385.5133.1-96.9-59.9000110.3
668Y32.4Very low34.4Very low232 Ų232149.4 Ų149.491%0.9177%0.769SS**  trans-146131.2147.8-95.1-78.8000105.7
669H34.2Very low34.6Very low181 Ų181154.4 Ų154.484%0.83881%0.814SS**  trans-102.7121.1175.5-140.2-73.9000106.6
670E35.3Very low34.6Very low178 Ų178156.8 Ų156.883%0.83282%0.822SS**  trans-107109.6-172.4-165.8162.3-136.700108.4
671T31Very low34.9Very low127 Ų127161.5 Ų161.578%0.77983%0.828SS**  trans-107.6116.417045.80000108
672Q37.9Very low35.3Very low177 Ų177159.4 Ų159.483%0.82782%0.822SS**  trans-134.7140.4165.8-101.4-171.6-13.300109.5
673D39.4Very low35.4Very low165 Ų165160 Ų16088%0.88282%0.818SS**  trans-73154.8-173.3-56.6-84.7000112.6
674G35.7Very low35.7Very low65 Ų65157.6 Ų157.667%0.6782%0.815SS**  trans-90.6159.7172.400000111.9
675H42.3Very low36.2Very low170 Ų170162.9 Ų162.979%0.78782%0.815SS**  trans-165.6141.6134.1-111.2-66.7000111.9
676N39.1Very low36.4Very low113 Ų113162.1 Ų162.160%0.60482%0.82SS**  trans68.7155147.7-63-11.7000117.8
677H40.6Very low36.7Very low144 Ų144162.4 Ų162.467%0.66783%0.829SS**  cis-149-179.9-6.4-120.8-28.6000110.9
678H43.6Very low37.3Very low169 Ų169159 Ų15978%0.78282%0.824SS**  trans-33.2134.2172.8-56.6-80.1000116.8
679S36Very low37.7Very low187 Ų187152.4 Ų152.4100%1.30882%0.816SS**  -156.3092.5-1720000111.4

Retrieved 679 of 679 residues in 169.2 ms (Link to these results)

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