A0A077Z324_TRITR Loading...

Arp2/3 complex 34 kDa subunit

Functions as actin-binding component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession A0A077Z324, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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
1M76.9Confident92.3Very high142 Ų14262.9 Ų62.970%0.733%0.326SS*.  0123.30-173.1174.679.600107.7L3 Y253M1-L3 WeakPolarHBondContact CG-O 3.36Å; M1-Y253 PolarHBondContact O-OH 3.36Å
2I90.4Very high92.7Very high122 Ų12261.1 Ų61.163%0.62631%0.313SS*.  trans-101.6-59.1-177.3-62.8175.5000109.7Y250 H254I2-Y250 HydrophobicContact CG2-CE2 4.46Å; I2-Y250 VanDerWaalsContact O-CE2 3.28Å; I2-Y250 WeakPolarHBondContact O-CE2 3.34Å; I2-H254 PolarHBondContact O-CE1 3.38Å; I2-H254 PolarHBondContact O-NE2 3.38Å
3L90.3Very high93Very high104 Ų10464.8 Ų64.855%0.54533%0.328SS..SBendtrans-79.7147.8170-62.8176.7000109.3M1 L243 Y250M1-L3 WeakPolarHBondContact CG-O 3.36Å; L3-L243 HydrophobicContact CD1-CD2 4.24Å; L3-L243 HydrophobicContact CD2-CD2 4.34Å; L3-Y250 HydrophobicContact CD2-CD2 4.23Å; L3-Y250 HydrophobicContact CD2-CE2 3.9Å
4I90.8Very high93.3Very high19 Ų1965 Ų6510%0.09733%0.325CS..PPolyproline II helixtrans-91.3132.3176.7-54.2-177.6000107.5F38 M246 T249 Y253I4-F38 HydrophobicContact CG2-CE2 4.07Å; I4-M246 HydrophobicContact CB-CE 3.9Å; I4-M246 HydrophobicContact CG2-CE 3.34Å; I4-T249 HydrophobicContact CD1-CG2 3.5Å; I4-Y253 HydrophobicContact CD1-CD1 4.37Å; I4-Y253 HydrophobicContact CD1-CG 4.12Å; I4-Y253 HydrophobicContact CG1-CD1 4.44Å
5D91.4Very high93.5Very high91 Ų9160.7 Ų60.749%0.48730%0.304SS..PPolyproline II helixtrans-64.6144.7178-67.1-41.3000111.5
6C92.4Very high93.7Very high28 Ų2859.7 Ų59.719%0.18930%0.299CS..SBendtrans-89.7-12.3-176.8-60.50000113.3D242C6-D242 PolarHBondContact SG-O 3.2Å; C6-D242 VanDerWaalsContact SG-O 3.41Å
7H94.7Very high93.8Very high24 Ų2461.8 Ų61.811%0.11131%0.307CS..SBendtrans-101149.4175.874.6-79.6000110.4E9 R112 S115 R116H7-E9 IonicContact CD2-OE2 3.7Å; H7-E9 IonicContact CE1-OE2 3.02Å; H7-E9 IonicContact NE2-OE2 3.02Å; H7-E9 PolarHBondContact NE2-OE2 2.93Å; H7-E9 PolarHBondContact O-N 3.27Å; H7-R112 PolarHBondContact CD2-NH1 3.28Å; H7-R112 PolarHBondContact CE1-NH1 2.88Å; H7-R112 PolarHBondContact ND1-NH1 3.16Å; H7-R112 VanDerWaalsContact ND1-NH1 3.15Å; H7-R112 PolarHBondContact NE2-NH1 3.37Å; H7-R112 VanDerWaalsContact NE2-NH1 3.14Å; H7-S115 CarbonylContact C-O 3.52Å; H7-S115 WeakPolarHBondContact CA-O 3.23Å; H7-R116 HydrophobicContact CB-CG 3.6Å
8H96.9Very high93.8Very high22 Ų2260.2 Ų60.210%0.10230%0.297CS..  trans-81.8105.2176.7-166.1-49.2000110.6V10 I11 Y12 A36 D37 Y43 S115H8-V10 PolarHBondContact ND1-N 2.93Å; H8-V10 PolarHBondContact O-N 3.48Å; H8-I11 HydrophobicContact CB-CB 4.12Å; H8-I11 HydrophobicContact CB-CD1 3.86Å; H8-I11 HydrophobicContact CB-CG1 4.03Å; H8-I11 PolarHBondContact O-N 3.32Å; H8-I11 VanDerWaalsContact O-N 3.14Å; H8-Y12 PolarHBondContact O-N 3.16Å; H8-A36 PolarHBondContact NE2-O 2.87Å; H8-D37 IonicContact CD2-OD2 3.56Å; H8-D37 PolarHBondContact CD2-OD2 3.01Å; H8-Y43 AromaticContact CD2-CD2 3.81Å; H8-Y43 AromaticContact CD2-CE2 3.63Å; H8-S115 PolarHBondContact N-O 3.02Å; H8-S115 WeakPolarHBondContact O-CB 3.44Å
9E96.3Very high93.9Very high82 Ų8257 Ų5738%0.38328%0.281SS..Hα-helixtrans-55-48.8-174-16962.2-143.200112.8H7 I11 Y12 E13H7-E9 IonicContact CD2-OE2 3.7Å; H7-E9 IonicContact CE1-OE2 3.02Å; H7-E9 IonicContact NE2-OE2 3.02Å; H7-E9 PolarHBondContact NE2-OE2 2.93Å; H7-E9 PolarHBondContact O-N 3.27Å; E9-I11 VanDerWaalsContact C-N 3.3Å; E9-I11 PolarHBondContact O-N 3.14Å; E9-Y12 WeakPolarHBondContact O-CB 3.44Å; E9-Y12 PolarHBondContact O-N 3.36Å; E9-Y12 VanDerWaalsContact O-N 3.11Å; E9-E13 HydrophobicContact CG-CG 4.36Å; E9-E13 WeakPolarHBondContact O-CG 3.31Å; E9-E13 PolarHBondContact O-N 3.43Å
10V97.1Very high93.9Very high58 Ų5857.2 Ų57.235%0.35229%0.288SS..Hα-helixtrans-61.3-37.8-178.8-174.60000112.2H8 K14 L35H8-V10 PolarHBondContact ND1-N 2.93Å; H8-V10 PolarHBondContact O-N 3.48Å; V10-K14 HydrophobicContact CG1-CG 4.3Å; V10-K14 VanDerWaalsContact O-CB 3.32Å; V10-K14 WeakPolarHBondContact O-CB 3.37Å; V10-K14 WeakPolarHBondContact O-CG 3.13Å; V10-K14 PolarHBondContact O-N 2.86Å; V10-L35 HydrophobicContact CB-CD1 4.17Å; V10-L35 HydrophobicContact CG1-CD1 3.81Å; V10-L35 HydrophobicContact CG1-CD2 4.01Å
11I97.7Very high93.9Very high0 Ų056.2 Ų56.20%029%0.287CS..Hα-helixtrans-67.2-45.4176.7-63.5-179.4000109.5H8 E9 K14 L15 L35 Y43 L45 V57H8-I11 HydrophobicContact CB-CB 4.12Å; H8-I11 HydrophobicContact CB-CD1 3.86Å; H8-I11 HydrophobicContact CB-CG1 4.03Å; H8-I11 PolarHBondContact O-N 3.32Å; H8-I11 VanDerWaalsContact O-N 3.14Å; E9-I11 VanDerWaalsContact C-N 3.3Å; E9-I11 PolarHBondContact O-N 3.14Å; I11-K14 PolarHBondContact O-N 3.2Å; I11-L15 HydrophobicContact CG2-CD1 3.79Å; I11-L15 HydrophobicContact CG2-CG 4.25Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 VanDerWaalsContact O-CG 3.27Å; I11-L15 WeakPolarHBondContact O-CG 3.05Å; I11-L15 PolarHBondContact O-N 3.28Å; I11-L35 HydrophobicContact CG1-CD1 3.79Å; I11-Y43 HydrophobicContact CD1-CD1 3.45Å; I11-Y43 VanDerWaalsContact CD1-CD1 3.45Å; I11-Y43 HydrophobicContact CD1-CD2 3.86Å; I11-Y43 HydrophobicContact CD1-CE1 3.72Å; I11-Y43 HydrophobicContact CD1-CE2 4.12Å; I11-Y43 HydrophobicContact CD1-CG 3.49Å; I11-Y43 VanDerWaalsContact CD1-CG 3.49Å; I11-L45 HydrophobicContact CD1-CD1 4.24Å; I11-L45 HydrophobicContact CG1-CD1 3.99Å; I11-V57 HydrophobicContact CG2-CG1 4.24Å
12Y97.8Very high94.6Very high41 Ų4151.1 Ų51.116%0.16127%0.267CS..Hα-helixtrans-57.4-51.9176.9175.1-105.4000111.4H8 E9 K14 L15 M16 A111 R112H8-Y12 PolarHBondContact O-N 3.16Å; E9-Y12 WeakPolarHBondContact O-CB 3.44Å; E9-Y12 PolarHBondContact O-N 3.36Å; E9-Y12 VanDerWaalsContact O-N 3.11Å; Y12-K14 PolarHBondContact O-N 3.36Å; Y12-L15 PolarHBondContact O-N 3.47Å; Y12-M16 HydrophobicContact CD1-CG 4.4Å; Y12-M16 HydrophobicContact CD2-CG 4.11Å; Y12-M16 HydrophobicContact CE1-CG 4.02Å; Y12-M16 HydrophobicContact CE2-CG 3.72Å; Y12-M16 HydrophobicContact CE2-SD 4.1Å; Y12-M16 HydrophobicContact CG-CG 4.44Å; Y12-M16 WeakPolarHBondContact O-CB 3.32Å; Y12-M16 VanDerWaalsContact O-CG 3.26Å; Y12-M16 WeakPolarHBondContact O-CG 3.33Å; Y12-M16 PolarHBondContact O-N 3.27Å; Y12-A111 HydrophobicContact CD2-CB 3.94Å; Y12-A111 HydrophobicContact CE2-CB 4.1Å; Y12-R112 HydrophobicContact CD2-CB 4.41Å; Y12-R112 HydrophobicContact CE2-CB 4.23Å; Y12-R112 VanDerWaalsContact CZ-NH2 3.34Å; Y12-R112 PolarHBondContact OH-NH2 2.85Å
13E97.1Very high94.7Very high109 Ų10949.6 Ų49.651%0.50926%0.264SS..Hα-helixtrans-60.1-44.3179-71-176.6159.500112.1E9 M16 Q17E9-E13 HydrophobicContact CG-CG 4.36Å; E9-E13 WeakPolarHBondContact O-CG 3.31Å; E9-E13 PolarHBondContact O-N 3.43Å; E13-M16 PolarHBondContact O-N 2.99Å; E13-Q17 VanDerWaalsContact O-CB 3.31Å; E13-Q17 WeakPolarHBondContact O-CB 3.4Å; E13-Q17 PolarHBondContact O-N 3.31Å
14K96.3Very high94.7Very high68 Ų6847.6 Ų47.630%0.29627%0.268SS..Hα-helixtrans-66.1-41.7179.6-72-68.2171.9-164.70112.4V10 I11 Y12 R18 I33 L45V10-K14 HydrophobicContact CG1-CG 4.3Å; V10-K14 VanDerWaalsContact O-CB 3.32Å; V10-K14 WeakPolarHBondContact O-CB 3.37Å; V10-K14 WeakPolarHBondContact O-CG 3.13Å; V10-K14 PolarHBondContact O-N 2.86Å; I11-K14 PolarHBondContact O-N 3.2Å; Y12-K14 PolarHBondContact O-N 3.36Å; K14-R18 WeakPolarHBondContact O-CB 3.42Å; K14-R18 VanDerWaalsContact O-CG 3.29Å; K14-R18 WeakPolarHBondContact O-CG 3.33Å; K14-R18 PolarHBondContact O-N 2.99Å; K14-I33 HydrophobicContact CD-CD1 4.25Å; K14-L45 HydrophobicContact CB-CD2 3.99Å
15L96.9Very high94.5Very high0 Ų050 Ų500%030%0.298CS..Hα-helixtrans-65.8-46.2175.3-70.4177000111.2I11 Y12 Q17 R18 F19 I55 V57 A111 A114I11-L15 HydrophobicContact CG2-CD1 3.79Å; I11-L15 HydrophobicContact CG2-CG 4.25Å; I11-L15 WeakPolarHBondContact O-CB 3.24Å; I11-L15 VanDerWaalsContact O-CG 3.27Å; I11-L15 WeakPolarHBondContact O-CG 3.05Å; I11-L15 PolarHBondContact O-N 3.28Å; Y12-L15 PolarHBondContact O-N 3.47Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.11Å; L15-R18 PolarHBondContact O-N 2.78Å; L15-F19 HydrophobicContact CB-CD2 4.46Å; L15-F19 HydrophobicContact CB-CE2 4.14Å; L15-F19 HydrophobicContact CB-CZ 4.34Å; L15-F19 HydrophobicContact CD2-CE1 4.28Å; L15-F19 HydrophobicContact CD2-CZ 4.03Å; L15-F19 VanDerWaalsContact O-CB 3.32Å; L15-F19 WeakPolarHBondContact O-CB 3.43Å; L15-F19 WeakPolarHBondContact O-CG 3.3Å; L15-F19 PolarHBondContact O-N 2.9Å; L15-I55 HydrophobicContact CD2-CD1 3.9Å; L15-I55 HydrophobicContact CD2-CG1 4.43Å; L15-I55 HydrophobicContact CD2-CG2 4.39Å; L15-V57 HydrophobicContact CD1-CG2 4.25Å; L15-V57 HydrophobicContact CD2-CG2 3.92Å; L15-A111 HydrophobicContact CB-CB 3.86Å; L15-A111 HydrophobicContact CD1-CB 4.49Å; L15-A114 HydrophobicContact CD1-CB 3.43Å; L15-A114 VanDerWaalsContact CD1-CB 3.43Å
16M96.5Very high94.4Very high45 Ų4549 Ų4922%0.22230%0.298CS..Hα-helixtrans-57.4-45176.2-75.6-61.2-69.700111.9Y12 E13 S20 Y107 A111Y12-M16 HydrophobicContact CD1-CG 4.4Å; Y12-M16 HydrophobicContact CD2-CG 4.11Å; Y12-M16 HydrophobicContact CE1-CG 4.02Å; Y12-M16 HydrophobicContact CE2-CG 3.72Å; Y12-M16 HydrophobicContact CE2-SD 4.1Å; Y12-M16 HydrophobicContact CG-CG 4.44Å; Y12-M16 WeakPolarHBondContact O-CB 3.32Å; Y12-M16 VanDerWaalsContact O-CG 3.26Å; Y12-M16 WeakPolarHBondContact O-CG 3.33Å; Y12-M16 PolarHBondContact O-N 3.27Å; E13-M16 PolarHBondContact O-N 2.99Å; M16-S20 WeakPolarHBondContact O-CB 3.35Å; M16-S20 PolarHBondContact O-N 3.17Å; M16-Y107 HydrophobicContact CE-CD2 4.25Å; M16-Y107 HydrophobicContact CE-CE2 3.75Å; M16-Y107 HydrophobicContact SD-CD2 3.84Å; M16-Y107 HydrophobicContact SD-CE2 3.89Å; M16-A111 HydrophobicContact CG-CB 4Å; M16-A111 HydrophobicContact SD-CB 3.83Å
17Q94.8Very high94Very high95 Ų9556.7 Ų56.744%0.44433%0.328SS..Hα-helixtrans-59.3-50.6175.7-175-174.6300111E13 L15 S20 S21E13-Q17 VanDerWaalsContact O-CB 3.31Å; E13-Q17 WeakPolarHBondContact O-CB 3.4Å; E13-Q17 PolarHBondContact O-N 3.31Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.11Å; Q17-S20 PolarHBondContact O-N 2.96Å; Q17-S21 WeakPolarHBondContact O-CB 3.08Å; Q17-S21 PolarHBondContact O-N 2.86Å; Q17-S21 PolarHBondContact O-OG 3.39Å; Q17-S21 VanDerWaalsContact O-OG 3.09Å
18R93.9Very high93.5Very high33 Ų3357.3 Ų57.313%0.12534%0.337CS..Hα-helixtrans-67.2-42-177.2-70.8-63.3-170.8-148.96.7112.7K14 L15 S21 A22 E29 L30 I55K14-R18 WeakPolarHBondContact O-CB 3.42Å; K14-R18 VanDerWaalsContact O-CG 3.29Å; K14-R18 WeakPolarHBondContact O-CG 3.33Å; K14-R18 PolarHBondContact O-N 2.99Å; L15-R18 PolarHBondContact O-N 2.78Å; R18-S21 PolarHBondContact O-N 2.93Å; R18-A22 WeakPolarHBondContact O-CB 3.49Å; R18-A22 PolarHBondContact O-N 3.04Å; R18-E29 IonicContact CZ-OE2 2.75Å; R18-E29 IonicContact NH1-OE2 3.91Å; R18-E29 PolarHBondContact NH1-OE2 3.43Å; R18-E29 IonicContact NH2-OE2 3.81Å; R18-L30 PolarHBondContact NH2-O 3.4Å; R18-L30 VanDerWaalsContact NH2-O 3.09Å; R18-I55 HydrophobicContact CB-CD1 4.28Å; R18-I55 HydrophobicContact CG-CD1 4.05Å
19F95.6Very high93.2Very high0 Ų061.8 Ų61.80%036%0.358CS..Hα-helixtrans-64.9-44.5176.7-65.3-12.7000111.4L15 S21 A22 V23 I55 Y98 L100 L103 Y107 L110 A111L15-F19 HydrophobicContact CB-CD2 4.46Å; L15-F19 HydrophobicContact CB-CE2 4.14Å; L15-F19 HydrophobicContact CB-CZ 4.34Å; L15-F19 HydrophobicContact CD2-CE1 4.28Å; L15-F19 HydrophobicContact CD2-CZ 4.03Å; L15-F19 VanDerWaalsContact O-CB 3.32Å; L15-F19 WeakPolarHBondContact O-CB 3.43Å; L15-F19 WeakPolarHBondContact O-CG 3.3Å; L15-F19 PolarHBondContact O-N 2.9Å; F19-S21 PolarHBondContact O-N 3.38Å; F19-A22 PolarHBondContact O-N 3.43Å; F19-V23 WeakPolarHBondContact O-CG2 3.36Å; F19-V23 PolarHBondContact O-N 3.43Å; F19-I55 HydrophobicContact CE1-CG2 3.94Å; F19-Y98 HydrophobicContact CE1-CG 4.39Å; F19-Y98 HydrophobicContact CZ-CD1 4.25Å; F19-Y98 HydrophobicContact CZ-CD2 4.27Å; F19-Y98 AromaticContact CZ-CG 3.95Å; F19-Y98 HydrophobicContact CZ-CG 3.95Å; F19-L100 HydrophobicContact CD1-CD2 3.56Å; F19-L100 HydrophobicContact CE1-CD2 3.7Å; F19-L103 HydrophobicContact CB-CD1 3.88Å; F19-L103 HydrophobicContact CD1-CD1 3.71Å; F19-L103 HydrophobicContact CD1-CD2 3.91Å; F19-L103 HydrophobicContact CD1-CG 4.49Å; F19-L103 HydrophobicContact CE1-CD1 4.47Å; F19-L103 HydrophobicContact CE1-CD2 3.88Å; F19-L103 HydrophobicContact CG-CD1 3.92Å; F19-L103 HydrophobicContact CG-CD2 4.27Å; F19-L103 HydrophobicContact CZ-CD2 4.21Å; F19-Y107 HydrophobicContact CB-CD1 4.27Å; F19-Y107 HydrophobicContact CB-CD2 3.53Å; F19-Y107 HydrophobicContact CB-CE2 3.91Å; F19-Y107 HydrophobicContact CB-CG 3.74Å; F19-Y107 AromaticContact CD2-CD2 3.93Å; F19-Y107 HydrophobicContact CD2-CD2 3.93Å; F19-Y107 HydrophobicContact CD2-CG 4.11Å; F19-Y107 HydrophobicContact CG-CD2 4.25Å; F19-Y107 HydrophobicContact CG-CG 4.35Å; F19-L110 HydrophobicContact CE2-CD2 4.16Å; F19-L110 HydrophobicContact CE2-CG 4.37Å; F19-L110 HydrophobicContact CZ-CD2 4.36Å; F19-A111 HydrophobicContact CD2-CB 4.29Å; F19-A111 HydrophobicContact CE2-CB 4.13Å
20S94.2Very high93.1Very high60 Ų6061.4 Ų61.442%0.4236%0.358SS..Hα-helixtrans-61-44175.8-176.70000112.3M16 Q17 A22 G24 Y107M16-S20 WeakPolarHBondContact O-CB 3.35Å; M16-S20 PolarHBondContact O-N 3.17Å; Q17-S20 PolarHBondContact O-N 2.96Å; S20-A22 PolarHBondContact O-N 3.03Å; S20-G24 PolarHBondContact O-N 3.47Å; S20-Y107 WeakPolarHBondContact CA-OH 3.19Å; S20-Y107 WeakPolarHBondContact CB-OH 3.38Å
21S93.2Very high93Very high37 Ų3759.1 Ų59.126%0.25934%0.344SS..Hα-helixtrans-62.2-40.6175.7-65.90000112.7Q17 R18 F19 G24 G25 S26Q17-S21 WeakPolarHBondContact O-CB 3.08Å; Q17-S21 PolarHBondContact O-N 2.86Å; Q17-S21 PolarHBondContact O-OG 3.39Å; Q17-S21 VanDerWaalsContact O-OG 3.09Å; R18-S21 PolarHBondContact O-N 2.93Å; F19-S21 PolarHBondContact O-N 3.38Å; S21-G24 PolarHBondContact O-N 3.35Å; S21-G25 PolarHBondContact O-N 3.25Å; S21-S26 WeakPolarHBondContact O-CB 3.36Å; S21-S26 PolarHBondContact O-N 2.86Å
22A92.6Very high92.9Very high35 Ų3565 Ų6529%0.28938%0.375SS..Hα-helixtrans-65.6-47.8178.600000112.1R18 F19 S20 G24 G25 L100 L103R18-A22 WeakPolarHBondContact O-CB 3.49Å; R18-A22 PolarHBondContact O-N 3.04Å; F19-A22 PolarHBondContact O-N 3.43Å; S20-A22 PolarHBondContact O-N 3.03Å; A22-G24 VanDerWaalsContact C-N 3.31Å; A22-G24 PolarHBondContact O-N 2.94Å; A22-G25 PolarHBondContact O-N 2.77Å; A22-L100 HydrophobicContact CB-CB 3.88Å; A22-L100 HydrophobicContact CB-CD1 4.49Å; A22-L100 HydrophobicContact CB-CD2 4.47Å; A22-L103 HydrophobicContact CB-CD1 4.26Å
23V91.6Very high92.9Very high91 Ų9165.6 Ų65.655%0.55238%0.381SS*.Hα-helixtrans-65.4-36.4177.8174.70000111.4F19 G25 L103 Y107F19-V23 WeakPolarHBondContact O-CG2 3.36Å; F19-V23 PolarHBondContact O-N 3.43Å; V23-G25 PolarHBondContact O-N 3.29Å; V23-L103 HydrophobicContact CG2-CD1 4.28Å; V23-Y107 HydrophobicContact CB-CE1 4.42Å; V23-Y107 HydrophobicContact CG2-CD1 4.09Å; V23-Y107 HydrophobicContact CG2-CE1 3.95Å
24G90.3Very high92.9Very high61 Ų6164.7 Ų64.763%0.62938%0.383SS*.THydrogen-bonded Turntrans-75.11.4176.700000115.1S20 S21 A22 S26S20-G24 PolarHBondContact O-N 3.47Å; S21-G24 PolarHBondContact O-N 3.35Å; A22-G24 VanDerWaalsContact C-N 3.31Å; A22-G24 PolarHBondContact O-N 2.94Å; G24-S26 PolarHBondContact O-N 2.75Å
25G87.6Confident93Very high70 Ų7063 Ų6372%0.72238%0.376SS*.THydrogen-bonded Turntrans6819.7-179.600000114.3S21 A22 V23S21-G25 PolarHBondContact O-N 3.25Å; A22-G25 PolarHBondContact O-N 2.77Å; V23-G25 PolarHBondContact O-N 3.29Å
26S88.4Confident93Very high70 Ų7066.7 Ų66.749%0.4941%0.407SS..PPolyproline II helixtrans-71.7155175.3-64.20000110.8S21 G24 A28S21-S26 WeakPolarHBondContact O-CB 3.36Å; S21-S26 PolarHBondContact O-N 2.86Å; G24-S26 PolarHBondContact O-N 2.75Å; S26-A28 PolarHBondContact O-N 2.68Å
27K85.3Confident93Very high190 Ų19066.2 Ų66.283%0.82641%0.406SS*.PPolyproline II helixtrans-58.2123.6177.8-175179.8178.8-177.70110E29K27-E29 PolarHBondContact O-N 3.21Å
28A84.6Confident93.1Very high36 Ų3666.3 Ų66.330%0.29841%0.405SS..PPolyproline II helixtrans-65.4132.9174.600000110.1S26 R52S26-A28 PolarHBondContact O-N 2.68Å; A28-R52 HydrophobicContact CB-CB 3.71Å; A28-R52 WeakPolarHBondContact O-CD 3.34Å
29E89.4Confident93.2Very high116 Ų11665.1 Ų65.154%0.54240%0.401SS..  trans-114.3152.2176.6-58176.7150.600109.8R18 K27R18-E29 IonicContact CZ-OE2 2.75Å; R18-E29 IonicContact NH1-OE2 3.91Å; R18-E29 PolarHBondContact NH1-OE2 3.43Å; R18-E29 IonicContact NH2-OE2 3.81Å; K27-E29 PolarHBondContact O-N 3.21Å
30L93.6Very high93.1Very high75 Ų7568.5 Ų68.539%0.39342%0.419SS..  trans-69.6146.9173-68167.4000110.4R18 N47 N50 R52R18-L30 PolarHBondContact NH2-O 3.4Å; R18-L30 VanDerWaalsContact NH2-O 3.09Å; L30-N47 WeakPolarHBondContact CA-OD1 3.25Å; L30-N47 HydrophobicContact CD2-CB 3.9Å; L30-N50 HydrophobicContact CD2-CB 4.26Å; L30-R52 HydrophobicContact CD2-CG 3.66Å; L30-R52 HydrophobicContact CG-CG 4.04Å
31I95.1Very high93.2Very high9 Ų965.7 Ų65.75%0.04640%0.399CS..  trans-129.4134.3172.1-168.2168.8000107.7I33 L45 S46 N47 I55I31-I33 HydrophobicContact CD1-CD1 3.83Å; I31-I33 HydrophobicContact CD1-CG1 4.36Å; I31-I33 HydrophobicContact CG1-CD1 3.72Å; I31-I33 HydrophobicContact CG1-CG1 3.77Å; I31-L45 HydrophobicContact CD1-CB 4.19Å; I31-L45 HydrophobicContact CD1-CD2 4.34Å; I31-L45 HydrophobicContact CG1-CB 4.5Å; I31-S46 CarbonylContact O-C 3.59Å; I31-S46 VanDerWaalsContact O-CA 3.31Å; I31-S46 WeakPolarHBondContact O-CA 3.21Å; I31-N47 WeakPolarHBondContact CG2-OD1 3.36Å; I31-N47 PolarHBondContact N-OD1 3.29Å; I31-N47 PolarHBondContact O-N 2.9Å; I31-N47 PolarHBondContact O-OD1 3.18Å; I31-I55 HydrophobicContact CD1-CD1 4.34Å; I31-I55 HydrophobicContact CG2-CD1 3.94Å; I31-I55 HydrophobicContact CG2-CG1 4.15Å
32D96.6Very high93.5Very high123 Ų12366.4 Ų66.466%0.65840%0.402SS*.EExtended strand (participates in β ladder)trans-151.699.1172.5-179.2-10000105.4H44 L45D32-H44 IonicContact OD1-CD2 2.77Å; D32-H44 IonicContact OD1-NE2 3.28Å; D32-H44 PolarHBondContact OD1-NE2 3.3Å; D32-H44 VanDerWaalsContact OD1-NE2 3.13Å; D32-L45 VanDerWaalsContact CA-O 3.3Å; D32-L45 WeakPolarHBondContact CA-O 3.46Å
33I97Very high93.8Very high54 Ų5464.8 Ų64.828%0.27739%0.388SS..EExtended strand (participates in β ladder)trans-138.7126-175-51177.5000109K14 I31 L35 H44 L45K14-I33 HydrophobicContact CD-CD1 4.25Å; I31-I33 HydrophobicContact CD1-CD1 3.83Å; I31-I33 HydrophobicContact CD1-CG1 4.36Å; I31-I33 HydrophobicContact CG1-CD1 3.72Å; I31-I33 HydrophobicContact CG1-CG1 3.77Å; I33-L35 HydrophobicContact CG2-CD2 3.69Å; I33-L35 HydrophobicContact CG2-CG 3.92Å; I33-H44 WeakPolarHBondContact O-CA 3.4Å; I33-L45 PolarHBondContact N-O 3.25Å; I33-L45 PolarHBondContact O-N 3.5Å
34V98Very high94.1Very high91 Ų9161.4 Ų61.455%0.55237%0.367SS*.EExtended strand (participates in β ladder)trans-97.9127.2169.1-1780000109T42 Y43V34-T42 HydrophobicContact CG1-CG2 3.63Å; V34-Y43 CarbonylContact C-O 3.56Å; V34-Y43 WeakPolarHBondContact CA-O 3.42Å
35L97.8Very high94.5Very high31 Ų3158.5 Ų58.516%0.16234%0.337CS..EExtended strand (participates in β ladder)trans-122.2155.4179.9-59172000109.8V10 I11 I33 T42 Y43 L45V10-L35 HydrophobicContact CB-CD1 4.17Å; V10-L35 HydrophobicContact CG1-CD1 3.81Å; V10-L35 HydrophobicContact CG1-CD2 4.01Å; I11-L35 HydrophobicContact CG1-CD1 3.79Å; I33-L35 HydrophobicContact CG2-CD2 3.69Å; I33-L35 HydrophobicContact CG2-CG 3.92Å; L35-T42 CarbonylContact O-C 3.53Å; L35-T42 WeakPolarHBondContact O-CA 3.26Å; L35-Y43 PolarHBondContact N-O 2.86Å; L35-Y43 PolarHBondContact O-N 3.43Å; L35-L45 HydrophobicContact CD1-CD1 4.14Å
36A96.8Very high95Very high78 Ų7855.7 Ų55.765%0.64531%0.306SS*.EExtended strand (participates in β ladder)trans-119.9151175.300000110.4H8 V41H8-A36 PolarHBondContact NE2-O 2.87Å; A36-V41 WeakPolarHBondContact CA-O 3.4Å
37D97Very high95.4Very high36 Ų3653 Ų5319%0.19329%0.286CS..EExtended strand (participates in β ladder)trans-131173.6175.9-164.1-23.8000109H8 V41 Y43 K118H8-D37 IonicContact CD2-OD2 3.56Å; H8-D37 PolarHBondContact CD2-OD2 3.01Å; D37-V41 HydrophobicContact CB-CB 4.12Å; D37-V41 HydrophobicContact CB-CG1 4.28Å; D37-V41 PolarHBondContact N-O 3.37Å; D37-Y43 HydrophobicContact CB-CD2 4.17Å; D37-Y43 HydrophobicContact CB-CE2 3.68Å; D37-Y43 WeakPolarHBondContact OD2-CE2 3.42Å; D37-K118 IonicContact OD1-NZ 2.95Å
38F95.8Very high95.8Very high97 Ų9745.5 Ų45.543%0.42526%0.257SS..G310 helixtrans-56.6159.7175.7-53.8-71.2000111.2I4 N40 V41 K118 M246 T249I4-F38 HydrophobicContact CG2-CE2 4.07Å; F38-N40 PolarHBondContact O-N 3.44Å; F38-V41 WeakPolarHBondContact O-CG2 3.47Å; F38-K118 VanDerWaalsContact C-NZ 3.34Å; F38-K118 PolarHBondContact O-NZ 3.29Å; F38-M246 HydrophobicContact CD2-CE 4.05Å; F38-M246 HydrophobicContact CE2-CE 4.23Å; F38-T249 HydrophobicContact CB-CG2 4.12Å; F38-T249 HydrophobicContact CD1-CG2 3.43Å; F38-T249 VanDerWaalsContact CD1-CG2 3.43Å; F38-T249 HydrophobicContact CD2-CG2 3.65Å; F38-T249 HydrophobicContact CE1-CG2 3.6Å; F38-T249 HydrophobicContact CE2-CG2 3.81Å; F38-T249 HydrophobicContact CG-CG2 3.45Å; F38-T249 VanDerWaalsContact CG-CG2 3.45Å; F38-T249 HydrophobicContact CZ-CG2 3.77Å
39D95.8Very high96.2Very high7 Ų747.7 Ų47.74%0.03728%0.283CS..G310 helixtrans66.326.2179.4-45-47.5000113.8V41 K118 R148 R248D39-V41 PolarHBondContact O-N 3.41Å; D39-K118 IonicContact OD2-NZ 3.92Å; D39-K118 PolarHBondContact OD2-NZ 3.04Å; D39-R148 VanDerWaalsContact CA-NH1 3.31Å; D39-R148 HydrophobicContact CB-CG 4.47Å; D39-R148 IonicContact OD1-NH1 2.68Å; D39-R248 IonicContact OD1-NH1 2.86Å
40N94.4Very high96.3Very high72 Ų7248 Ų4839%0.38529%0.288SS..G310 helixtrans5834.5179-53.9-14.1000112.1F38 R148F38-N40 PolarHBondContact O-N 3.44Å; N40-R148 PolarHBondContact OD1-NH1 3.09Å; N40-R148 PolarHBondContact OD1-NH2 3.3Å
41V97.3Very high96.4Very high1 Ų147.3 Ų47.31%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-81.7137174.6171.20000108.8A36 D37 F38 D39 Y43 I59 L61 K118A36-V41 WeakPolarHBondContact CA-O 3.4Å; D37-V41 HydrophobicContact CB-CB 4.12Å; D37-V41 HydrophobicContact CB-CG1 4.28Å; D37-V41 PolarHBondContact N-O 3.37Å; F38-V41 WeakPolarHBondContact O-CG2 3.47Å; D39-V41 PolarHBondContact O-N 3.41Å; V41-Y43 HydrophobicContact CG1-CD2 4.12Å; V41-Y43 HydrophobicContact CG1-CE2 3.71Å; V41-I59 HydrophobicContact CG1-CD1 3.74Å; V41-I59 HydrophobicContact CG1-CG1 3.6Å; V41-L61 HydrophobicContact CG1-CG 4.47Å; V41-L61 HydrophobicContact CG2-CD2 3.97Å; V41-L61 HydrophobicContact CG2-CG 4.06Å; V41-K118 HydrophobicContact CG2-CD 4.11Å
42T98.2Very high96.3Very high51 Ų5152.8 Ų52.831%0.31331%0.305SS..EExtended strand (participates in β ladder)trans-116.9137.6176.1-54.90000109.2V34 L35 I59 A60 Y92V34-T42 HydrophobicContact CG1-CG2 3.63Å; L35-T42 CarbonylContact O-C 3.53Å; L35-T42 WeakPolarHBondContact O-CA 3.26Å; T42-I59 CarbonylContact O-C 3.59Å; T42-I59 WeakPolarHBondContact O-CA 3.29Å; T42-A60 PolarHBondContact N-O 2.78Å; T42-A60 VanDerWaalsContact N-O 3.13Å; T42-A60 PolarHBondContact O-N 3.48Å; T42-Y92 HydrophobicContact CG2-CE1 4.49Å
43Y98.6Very high96.2Very high1 Ų150.7 Ų50.70%0.00429%0.294CS..EExtended strand (participates in β ladder)trans-115.7152.8172.3-70.3-89000110.8H8 I11 V34 L35 D37 V41 S58 I59 L117 K118H8-Y43 AromaticContact CD2-CD2 3.81Å; H8-Y43 AromaticContact CD2-CE2 3.63Å; I11-Y43 HydrophobicContact CD1-CD1 3.45Å; I11-Y43 VanDerWaalsContact CD1-CD1 3.45Å; I11-Y43 HydrophobicContact CD1-CD2 3.86Å; I11-Y43 HydrophobicContact CD1-CE1 3.72Å; I11-Y43 HydrophobicContact CD1-CE2 4.12Å; I11-Y43 HydrophobicContact CD1-CG 3.49Å; I11-Y43 VanDerWaalsContact CD1-CG 3.49Å; V34-Y43 CarbonylContact C-O 3.56Å; V34-Y43 WeakPolarHBondContact CA-O 3.42Å; L35-Y43 PolarHBondContact N-O 2.86Å; L35-Y43 PolarHBondContact O-N 3.43Å; D37-Y43 HydrophobicContact CB-CD2 4.17Å; D37-Y43 HydrophobicContact CB-CE2 3.68Å; D37-Y43 WeakPolarHBondContact OD2-CE2 3.42Å; V41-Y43 HydrophobicContact CG1-CD2 4.12Å; V41-Y43 HydrophobicContact CG1-CE2 3.71Å; Y43-S58 CarbonylContact C-O 3.58Å; Y43-S58 WeakPolarHBondContact CA-O 3.25Å; Y43-I59 HydrophobicContact CD1-CB 3.84Å; Y43-I59 HydrophobicContact CD1-CD1 4.36Å; Y43-I59 HydrophobicContact CD1-CG1 3.94Å; Y43-I59 HydrophobicContact CE1-CB 3.76Å; Y43-I59 HydrophobicContact CE1-CD1 3.53Å; Y43-I59 HydrophobicContact CE1-CG1 3.62Å; Y43-I59 HydrophobicContact CE2-CD1 4.36Å; Y43-I59 HydrophobicContact CE2-CG1 4.48Å; Y43-L117 HydrophobicContact CE1-CB 4.28Å; Y43-L117 HydrophobicContact CE1-CD2 4.38Å; Y43-K118 WeakPolarHBondContact OH-CB 3.47Å; Y43-K118 PolarHBondContact OH-N 2.7Å
44H98.6Very high96.1Very high21 Ų2150.8 Ų50.810%0.09729%0.293CS..EExtended strand (participates in β ladder)trans-135.6124.6172.4-179-141.1000110.5D32 I33 S46 V57 S58 E89 Y92D32-H44 IonicContact OD1-CD2 2.77Å; D32-H44 IonicContact OD1-NE2 3.28Å; D32-H44 PolarHBondContact OD1-NE2 3.3Å; D32-H44 VanDerWaalsContact OD1-NE2 3.13Å; I33-H44 WeakPolarHBondContact O-CA 3.4Å; H44-S46 VanDerWaalsContact CE1-CB 3.43Å; H44-S46 WeakPolarHBondContact CE1-CB 3.39Å; H44-V57 WeakPolarHBondContact O-CA 3.49Å; H44-S58 PolarHBondContact N-O 2.87Å; H44-S58 PolarHBondContact O-N 3.37Å; H44-E89 IonicContact CE1-OE1 3.53Å; H44-E89 PolarHBondContact CE1-OE1 3.29Å; H44-E89 IonicContact CE1-OE2 3.13Å; H44-E89 IonicContact CG-OE2 2.68Å; H44-E89 IonicContact ND1-OE1 3.71Å; H44-E89 PolarHBondContact ND1-OE1 3.27Å; H44-E89 IonicContact ND1-OE2 3.84Å; H44-E89 PolarHBondContact ND1-OE2 2.83Å; H44-Y92 HydrophobicContact CB-CD1 4.48Å; H44-Y92 HydrophobicContact CB-CE1 3.62Å; H44-Y92 HydrophobicContact CB-CE2 4.04Å; H44-Y92 VanDerWaalsContact CB-OH 3.27Å; H44-Y92 WeakPolarHBondContact CB-OH 3.26Å
45L98.1Very high96.1Very high0 Ų046.5 Ų46.50%027%0.267CS..EExtended strand (participates in β ladder)trans-109.3111.8175.8-82.371.1000108I11 K14 I31 D32 I33 L35 M56 V57I11-L45 HydrophobicContact CD1-CD1 4.24Å; I11-L45 HydrophobicContact CG1-CD1 3.99Å; K14-L45 HydrophobicContact CB-CD2 3.99Å; I31-L45 HydrophobicContact CD1-CB 4.19Å; I31-L45 HydrophobicContact CD1-CD2 4.34Å; I31-L45 HydrophobicContact CG1-CB 4.5Å; D32-L45 VanDerWaalsContact CA-O 3.3Å; D32-L45 WeakPolarHBondContact CA-O 3.46Å; I33-L45 PolarHBondContact N-O 3.25Å; I33-L45 PolarHBondContact O-N 3.5Å; L35-L45 HydrophobicContact CD1-CD1 4.14Å; L45-M56 WeakPolarHBondContact CA-O 3.48Å; L45-V57 HydrophobicContact CD1-CG1 4.16Å; L45-V57 HydrophobicContact CG-CG2 4.3Å
46S97.7Very high96.1Very high11 Ų1146 Ų468%0.07726%0.264CS..EExtended strand (participates in β ladder)trans-139.5164.2-171.965.90000113.2I31 H44 M56I31-S46 CarbonylContact O-C 3.59Å; I31-S46 VanDerWaalsContact O-CA 3.31Å; I31-S46 WeakPolarHBondContact O-CA 3.21Å; H44-S46 VanDerWaalsContact CE1-CB 3.43Å; H44-S46 WeakPolarHBondContact CE1-CB 3.39Å; S46-M56 PolarHBondContact N-O 3.07Å; S46-M56 VanDerWaalsContact N-O 3.08Å; S46-M56 PolarHBondContact O-N 3.38Å
47N97.1Very high96.2Very high13 Ų1342.3 Ų42.37%0.0723%0.233CC..  trans-99.9105.7165.1-63.5105.6000109.3L30 I31 G49 N50 D51 Q54L30-N47 WeakPolarHBondContact CA-OD1 3.25Å; L30-N47 HydrophobicContact CD2-CB 3.9Å; I31-N47 WeakPolarHBondContact CG2-OD1 3.36Å; I31-N47 PolarHBondContact N-OD1 3.29Å; I31-N47 PolarHBondContact O-N 2.9Å; I31-N47 PolarHBondContact O-OD1 3.18Å; N47-G49 PolarHBondContact O-N 2.75Å; N47-N50 PolarHBondContact O-N 3.38Å; N47-D51 WeakPolarHBondContact CB-O 3.39Å; N47-D51 PolarHBondContact ND2-O 3.3Å; N47-Q54 PolarHBondContact ND2-O 3.35Å
48P94.7Very high96.2Very high33 Ų3340.6 Ų40.621%0.21422%0.224CC..G310 helixtrans-59.9132.8-179.326.7-35.3000110.7N50 D51 Q54 M56 L97P48-N50 PolarHBondContact O-N 2.76Å; P48-N50 VanDerWaalsContact O-N 3.13Å; P48-D51 PolarHBondContact O-N 3.23Å; P48-Q54 HydrophobicContact CG-CB 3.97Å; P48-M56 HydrophobicContact CB-CE 3.78Å; P48-M56 HydrophobicContact CG-CB 4.45Å; P48-M56 HydrophobicContact CG-CE 3.93Å; P48-L97 HydrophobicContact CG-CD1 3.77Å
49G92.6Very high96.4Very high82 Ų8236 Ų3685%0.84520%0.204SC*.G310 helixtrans61.818.1-177.900000114.8N47 D51N47-G49 PolarHBondContact O-N 2.75Å; G49-D51 PolarHBondContact O-N 3.45Å
50N92.6Very high96.5Very high121 Ų12136.5 Ų36.565%0.64721%0.21SC*.G310 helixtrans59.822.1-170-61.8-50000114.2L30 N47 P48 R52L30-N50 HydrophobicContact CD2-CB 4.26Å; N47-N50 PolarHBondContact O-N 3.38Å; P48-N50 PolarHBondContact O-N 2.76Å; P48-N50 VanDerWaalsContact O-N 3.13Å; N50-R52 PolarHBondContact O-N 3.05Å
51D94.6Very high96.6Very high61 Ų6133.3 Ų33.333%0.32619%0.192SC..  trans-75.7107.6172.9-174.71.7000110.5N47 P48 G49 N53 Q54N47-D51 WeakPolarHBondContact CB-O 3.39Å; N47-D51 PolarHBondContact ND2-O 3.3Å; P48-D51 PolarHBondContact O-N 3.23Å; G49-D51 PolarHBondContact O-N 3.45Å; D51-N53 PolarHBondContact O-N 3.15Å; D51-N53 VanDerWaalsContact O-N 3.16Å; D51-N53 WeakPolarHBondContact OD1-CB 3.47Å; D51-N53 PolarHBondContact OD1-N 2.99Å; D51-Q54 HydrophobicContact CB-CB 4.49Å; D51-Q54 PolarHBondContact O-N 2.93Å; D51-Q54 VanDerWaalsContact O-N 3.09Å; D51-Q54 VanDerWaalsContact O-O 3.07Å
52R93.3Very high96.6Very high124 Ų12440.4 Ų40.447%0.46822%0.223SC..THydrogen-bonded Turntrans-66.2-14.9-179.8-62.7-176.8178.690.13.8113.5A28 L30 N50 Q54 L100A28-R52 HydrophobicContact CB-CB 3.71Å; A28-R52 WeakPolarHBondContact O-CD 3.34Å; L30-R52 HydrophobicContact CD2-CG 3.66Å; L30-R52 HydrophobicContact CG-CG 4.04Å; N50-R52 PolarHBondContact O-N 3.05Å; R52-Q54 VanDerWaalsContact C-N 3.31Å; R52-L100 WeakPolarHBondContact O-CD1 3.33Å
53N93.8Very high96.5Very high79 Ų7938.2 Ų38.242%0.42221%0.209SC..THydrogen-bonded Turntrans-85.9-5.4176.7-61.9-42.9000112.7D51 N99 L100 T101D51-N53 PolarHBondContact O-N 3.15Å; D51-N53 VanDerWaalsContact O-N 3.16Å; D51-N53 WeakPolarHBondContact OD1-CB 3.47Å; D51-N53 PolarHBondContact OD1-N 2.99Å; N53-N99 PolarHBondContact O-OD1 2.97Å; N53-L100 VanDerWaalsContact O-CB 3.3Å; N53-L100 WeakPolarHBondContact O-CB 3.44Å; N53-L100 WeakPolarHBondContact O-CG 3.3Å; N53-L100 PolarHBondContact O-N 3.19Å; N53-T101 HydrophobicContact CB-CG2 4.13Å
54Q95.6Very high96.5Very high56 Ų5638.4 Ų38.426%0.26221%0.21SC..EExtended strand (participates in β ladder)trans-121.3139179-66.6-169.7-6.800110.5N47 P48 D51 R52 L97 Y98N47-Q54 PolarHBondContact ND2-O 3.35Å; P48-Q54 HydrophobicContact CG-CB 3.97Å; D51-Q54 HydrophobicContact CB-CB 4.49Å; D51-Q54 PolarHBondContact O-N 2.93Å; D51-Q54 VanDerWaalsContact O-N 3.09Å; D51-Q54 VanDerWaalsContact O-O 3.07Å; R52-Q54 VanDerWaalsContact C-N 3.31Å; Q54-L97 HydrophobicContact CB-CD1 4.03Å; Q54-Y98 WeakPolarHBondContact CA-O 3.31Å
55I96.9Very high96.4Very high1 Ų144.8 Ų44.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-123.7129169.7-172.8164.5000109.1L15 R18 F19 I31 Y98 L100L15-I55 HydrophobicContact CD2-CD1 3.9Å; L15-I55 HydrophobicContact CD2-CG1 4.43Å; L15-I55 HydrophobicContact CD2-CG2 4.39Å; R18-I55 HydrophobicContact CB-CD1 4.28Å; R18-I55 HydrophobicContact CG-CD1 4.05Å; F19-I55 HydrophobicContact CE1-CG2 3.94Å; I31-I55 HydrophobicContact CD1-CD1 4.34Å; I31-I55 HydrophobicContact CG2-CD1 3.94Å; I31-I55 HydrophobicContact CG2-CG1 4.15Å; I55-Y98 HydrophobicContact CG2-CD2 4.27Å; I55-Y98 HydrophobicContact CG2-CG 4.46Å; I55-Y98 PolarHBondContact N-O 2.95Å; I55-Y98 PolarHBondContact O-N 2.84Å; I55-L100 HydrophobicContact CG2-CD2 3.8Å; I55-L100 HydrophobicContact CG2-CG 4.4Å
56M98.2Very high96.3Very high21 Ų2146.4 Ų46.410%0.10325%0.246CC..EExtended strand (participates in β ladder)trans-105.4138.6176.7-170.6171.6-67.400109.8L45 S46 P48 E89 L96 L97L45-M56 WeakPolarHBondContact CA-O 3.48Å; S46-M56 PolarHBondContact N-O 3.07Å; S46-M56 VanDerWaalsContact N-O 3.08Å; S46-M56 PolarHBondContact O-N 3.38Å; P48-M56 HydrophobicContact CB-CE 3.78Å; P48-M56 HydrophobicContact CG-CB 4.45Å; P48-M56 HydrophobicContact CG-CE 3.93Å; M56-E89 HydrophobicContact SD-CB 3.98Å; M56-L96 CarbonylContact C-O 3.58Å; M56-L96 WeakPolarHBondContact CA-O 3.44Å; M56-L97 HydrophobicContact CB-CD1 4.33Å; M56-L97 HydrophobicContact CE-CD1 4.01Å
57V98.5Very high96.3Very high0 Ų045.9 Ų45.90%024%0.243CC..EExtended strand (participates in β ladder)trans-122.1105.1172-1740000107.7I11 L15 H44 L45 S95 L96 Y98I11-V57 HydrophobicContact CG2-CG1 4.24Å; L15-V57 HydrophobicContact CD1-CG2 4.25Å; L15-V57 HydrophobicContact CD2-CG2 3.92Å; H44-V57 WeakPolarHBondContact O-CA 3.49Å; L45-V57 HydrophobicContact CD1-CG1 4.16Å; L45-V57 HydrophobicContact CG-CG2 4.3Å; V57-S95 WeakPolarHBondContact O-CA 3.4Å; V57-L96 HydrophobicContact CB-CB 4.4Å; V57-L96 PolarHBondContact N-O 2.86Å; V57-L96 PolarHBondContact O-N 3.43Å; V57-Y98 HydrophobicContact CG2-CD2 4.46Å; V57-Y98 HydrophobicContact CG2-CE2 4.15Å
58S98.7Very high96.3Very high0 Ų048.8 Ų48.80%026%0.256CS..EExtended strand (participates in β ladder)trans-104.2146.1-179.7-56.50000111Y43 H44 E89 V94 S95Y43-S58 CarbonylContact C-O 3.58Å; Y43-S58 WeakPolarHBondContact CA-O 3.25Å; H44-S58 PolarHBondContact N-O 2.87Å; H44-S58 PolarHBondContact O-N 3.37Å; S58-E89 WeakPolarHBondContact CB-OE2 3.45Å; S58-E89 VanDerWaalsContact OG-CB 3.3Å; S58-E89 WeakPolarHBondContact OG-CB 3.31Å; S58-E89 PolarHBondContact OG-OE2 2.97Å; S58-V94 CarbonylContact C-O 3.46Å; S58-V94 WeakPolarHBondContact CA-O 3.43Å; S58-S95 WeakPolarHBondContact CB-OG 3.49Å; S58-S95 WeakPolarHBondContact OG-CB 3.47Å; S58-S95 PolarHBondContact OG-OG 3.23Å
59I98.7Very high96.4Very high0 Ų053.1 Ų53.10%027%0.273CS..EExtended strand (participates in β ladder)trans-128.4135.9176.8-170.8177.5000110.6V41 T42 Y43 L61 N93 V94 L117 K118V41-I59 HydrophobicContact CG1-CD1 3.74Å; V41-I59 HydrophobicContact CG1-CG1 3.6Å; T42-I59 CarbonylContact O-C 3.59Å; T42-I59 WeakPolarHBondContact O-CA 3.29Å; Y43-I59 HydrophobicContact CD1-CB 3.84Å; Y43-I59 HydrophobicContact CD1-CD1 4.36Å; Y43-I59 HydrophobicContact CD1-CG1 3.94Å; Y43-I59 HydrophobicContact CE1-CB 3.76Å; Y43-I59 HydrophobicContact CE1-CD1 3.53Å; Y43-I59 HydrophobicContact CE1-CG1 3.62Å; Y43-I59 HydrophobicContact CE2-CD1 4.36Å; Y43-I59 HydrophobicContact CE2-CG1 4.48Å; I59-L61 HydrophobicContact CB-CD1 4.44Å; I59-L61 HydrophobicContact CD1-CD1 3.77Å; I59-L61 HydrophobicContact CD1-CD2 4.34Å; I59-L61 HydrophobicContact CD1-CG 4.16Å; I59-L61 HydrophobicContact CG1-CD1 3.72Å; I59-L61 HydrophobicContact CG1-CG 4.19Å; I59-L61 HydrophobicContact CG2-CD1 4.03Å; I59-N93 PolarHBondContact O-N 2.85Å; I59-V94 HydrophobicContact CG2-CB 3.72Å; I59-V94 HydrophobicContact CG2-CG2 4.49Å; I59-V94 PolarHBondContact N-O 3.49Å; I59-V94 PolarHBondContact O-N 3.41Å; I59-L117 HydrophobicContact CB-CD2 3.82Å; I59-L117 HydrophobicContact CB-CG 4.32Å; I59-L117 HydrophobicContact CD1-CG 4.25Å; I59-L117 HydrophobicContact CG2-CD2 3.48Å; I59-L117 VanDerWaalsContact CG2-CD2 3.48Å; I59-L117 HydrophobicContact CG2-CG 3.81Å; I59-K118 HydrophobicContact CD1-CB 3.9Å
60A98.3Very high96.6Very high19 Ų1950 Ų5016%0.15724%0.236CC..EExtended strand (participates in β ladder)trans-117.9123.4174.600000109.8T42 Y92 N93T42-A60 PolarHBondContact N-O 2.78Å; T42-A60 VanDerWaalsContact N-O 3.13Å; T42-A60 PolarHBondContact O-N 3.48Å; A60-Y92 HydrophobicContact CB-CD1 3.66Å; A60-Y92 HydrophobicContact CB-CE1 4.11Å; A60-Y92 HydrophobicContact CB-CG 4.39Å; A60-N93 VanDerWaalsContact CA-OD1 3.31Å; A60-N93 WeakPolarHBondContact CA-OD1 3.45Å
61L97.4Very high96.8Very high4 Ų445.4 Ų45.42%0.02122%0.217CC..  trans-127.7123.4174.3-46.291.4000108.4V41 I59 F63 Y64 N93 C121V41-L61 HydrophobicContact CG1-CG 4.47Å; V41-L61 HydrophobicContact CG2-CD2 3.97Å; V41-L61 HydrophobicContact CG2-CG 4.06Å; I59-L61 HydrophobicContact CB-CD1 4.44Å; I59-L61 HydrophobicContact CD1-CD1 3.77Å; I59-L61 HydrophobicContact CD1-CD2 4.34Å; I59-L61 HydrophobicContact CD1-CG 4.16Å; I59-L61 HydrophobicContact CG1-CD1 3.72Å; I59-L61 HydrophobicContact CG1-CG 4.19Å; I59-L61 HydrophobicContact CG2-CD1 4.03Å; L61-F63 HydrophobicContact CB-CE1 4.27Å; L61-F63 HydrophobicContact CB-CE2 4.27Å; L61-F63 HydrophobicContact CB-CZ 4.12Å; L61-F63 HydrophobicContact CD2-CE2 3.81Å; L61-F63 HydrophobicContact CD2-CZ 3.76Å; L61-F63 PolarHBondContact O-N 2.87Å; L61-F63 VanDerWaalsContact O-N 3.1Å; L61-Y64 HydrophobicContact CD1-CD2 3.95Å; L61-Y64 WeakPolarHBondContact O-CB 3.5Å; L61-Y64 PolarHBondContact O-N 2.63Å; L61-Y64 VanDerWaalsContact O-N 3.09Å; L61-N93 PolarHBondContact N-OD1 3.12Å; L61-N93 PolarHBondContact O-OD1 3.14Å; L61-N93 VanDerWaalsContact O-OD1 3.1Å; L61-C121 HydrophobicContact CD2-CB 4.39Å
62K96.7Very high96.9Very high150 Ų15042.5 Ų42.565%0.65220%0.202SC*.THydrogen-bonded Turntrans-58.5-28.3179.6-64.2-169.5-178.2-169.90113.2E149K62-E149 IonicContact NZ-OE1 2.91Å; K62-E149 PolarHBondContact NZ-OE1 2.93Å
63F96.3Very high97Very high6 Ų640 Ų403%0.02620%0.198CC..THydrogen-bonded Turntrans-102.718.5-177.454.9-90.4000113.1L61 K65 D66 L67 F122 I145 H146 Y147L61-F63 HydrophobicContact CB-CE1 4.27Å; L61-F63 HydrophobicContact CB-CE2 4.27Å; L61-F63 HydrophobicContact CB-CZ 4.12Å; L61-F63 HydrophobicContact CD2-CE2 3.81Å; L61-F63 HydrophobicContact CD2-CZ 3.76Å; L61-F63 PolarHBondContact O-N 2.87Å; L61-F63 VanDerWaalsContact O-N 3.1Å; F63-K65 PolarHBondContact O-N 2.78Å; F63-D66 WeakPolarHBondContact O-CB 3.37Å; F63-D66 PolarHBondContact O-N 2.93Å; F63-D66 VanDerWaalsContact O-N 3.16Å; F63-L67 HydrophobicContact CD2-CD1 4.02Å; F63-L67 HydrophobicContact CD2-CG 4.18Å; F63-L67 HydrophobicContact CE2-CD1 3.93Å; F63-L67 PolarHBondContact O-N 3.14Å; F63-F122 HydrophobicContact CD2-CZ 4.3Å; F63-F122 HydrophobicContact CE2-CD2 4.49Å; F63-F122 AromaticContact CE2-CE1 3.93Å; F63-F122 HydrophobicContact CE2-CE1 3.93Å; F63-F122 AromaticContact CE2-CE2 3.54Å; F63-F122 HydrophobicContact CE2-CE2 3.54Å; F63-F122 AromaticContact CE2-CZ 3.21Å; F63-F122 HydrophobicContact CE2-CZ 3.21Å; F63-F122 HydrophobicContact CZ-CE1 4.48Å; F63-F122 AromaticContact CZ-CE2 3.61Å; F63-F122 HydrophobicContact CZ-CE2 3.61Å; F63-F122 AromaticContact CZ-CZ 3.41Å; F63-F122 HydrophobicContact CZ-CZ 3.41Å; F63-F122 VanDerWaalsContact CZ-CZ 3.41Å; F63-I145 HydrophobicContact CD2-CG2 3.84Å; F63-I145 HydrophobicContact CG-CG2 4.45Å; F63-H146 VanDerWaalsContact CB-O 3.3Å; F63-H146 WeakPolarHBondContact CB-O 3.17Å; F63-Y147 VanDerWaalsContact CD1-CA 3.47Å; F63-Y147 WeakPolarHBondContact CD1-O 3.45Å; F63-Y147 WeakPolarHBondContact CE1-O 3.3Å
64Y97.6Very high97.2Very high5 Ų542.5 Ų42.52%0.0221%0.207CC..Hα-helixtrans-60-34.4179.8-170.6-106.4000112.6L61 D66 L67 Q68 A72 D73 N93 V94 C121L61-Y64 HydrophobicContact CD1-CD2 3.95Å; L61-Y64 WeakPolarHBondContact O-CB 3.5Å; L61-Y64 PolarHBondContact O-N 2.63Å; L61-Y64 VanDerWaalsContact O-N 3.09Å; Y64-D66 VanDerWaalsContact C-N 3.33Å; Y64-D66 PolarHBondContact O-N 2.95Å; Y64-L67 CarbonylContact O-C 3.54Å; Y64-L67 WeakPolarHBondContact O-CA 3.42Å; Y64-L67 WeakPolarHBondContact O-CB 3.39Å; Y64-L67 PolarHBondContact O-N 2.86Å; Y64-Q68 HydrophobicContact CD1-CG 3.63Å; Y64-Q68 HydrophobicContact CE1-CG 3.36Å; Y64-Q68 HydrophobicContact CG-CG 4.5Å; Y64-Q68 WeakPolarHBondContact O-CG 3.4Å; Y64-Q68 PolarHBondContact O-N 3.26Å; Y64-A72 HydrophobicContact CE2-CB 4.2Å; Y64-D73 PolarHBondContact OH-OD1 3.13Å; Y64-N93 VanDerWaalsContact CB-CG 3.5Å; Y64-N93 HydrophobicContact CD1-CB 3.61Å; Y64-N93 HydrophobicContact CD2-CB 3.98Å; Y64-N93 HydrophobicContact CE1-CB 4.12Å; Y64-N93 HydrophobicContact CE2-CB 4.45Å; Y64-N93 HydrophobicContact CG-CB 3.53Å; Y64-V94 HydrophobicContact CE1-CG2 4.26Å; Y64-V94 HydrophobicContact CE2-CG2 3.61Å; Y64-V94 VanDerWaalsContact CZ-CG2 3.44Å; Y64-V94 VanDerWaalsContact OH-CG2 3.25Å; Y64-V94 WeakPolarHBondContact OH-CG2 3.47Å; Y64-C121 HydrophobicContact CE2-CB 4.46Å
65K97.2Very high97.2Very high154 Ų15440.2 Ų40.267%0.6720%0.197SC*.Hα-helixtrans-59.9-42.1176-70.8-172.4176.4-1770112.4F63 L67 Q68 E69F63-K65 PolarHBondContact O-N 2.78Å; K65-L67 PolarHBondContact O-N 3.44Å; K65-Q68 WeakPolarHBondContact O-CB 3.5Å; K65-Q68 PolarHBondContact O-N 2.65Å; K65-Q68 VanDerWaalsContact O-N 3.14Å; K65-E69 PolarHBondContact O-N 2.84Å
66D96.9Very high97.2Very high35 Ų3540.3 Ų40.319%0.18720%0.197CC..Hα-helixtrans-58.4-41174.8-58.93.4000110F63 Y64 H70 I145 H146F63-D66 WeakPolarHBondContact O-CB 3.37Å; F63-D66 PolarHBondContact O-N 2.93Å; F63-D66 VanDerWaalsContact O-N 3.16Å; Y64-D66 VanDerWaalsContact C-N 3.33Å; Y64-D66 PolarHBondContact O-N 2.95Å; D66-H70 PolarHBondContact O-CD2 2.92Å; D66-I145 HydrophobicContact CB-CD1 3.77Å; D66-I145 HydrophobicContact CB-CG2 4.33Å; D66-H146 IonicContact OD2-CG 3.7Å; D66-H146 PolarHBondContact OD2-N 2.98Å; D66-H146 IonicContact OD2-ND1 3.4Å; D66-H146 PolarHBondContact OD2-ND1 3.2Å
67L97.6Very high97.2Very high0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-69.5-37.8176.5-60.3175.6000112.6F63 Y64 K65 E69 H70 G71 A72 C121 F122 V125 I145F63-L67 HydrophobicContact CD2-CD1 4.02Å; F63-L67 HydrophobicContact CD2-CG 4.18Å; F63-L67 HydrophobicContact CE2-CD1 3.93Å; F63-L67 PolarHBondContact O-N 3.14Å; Y64-L67 CarbonylContact O-C 3.54Å; Y64-L67 WeakPolarHBondContact O-CA 3.42Å; Y64-L67 WeakPolarHBondContact O-CB 3.39Å; Y64-L67 PolarHBondContact O-N 2.86Å; K65-L67 PolarHBondContact O-N 3.44Å; L67-E69 VanDerWaalsContact C-N 3.29Å; L67-E69 PolarHBondContact O-N 3.34Å; L67-H70 CarbonylContact O-C 3.54Å; L67-H70 WeakPolarHBondContact O-CA 3.29Å; L67-H70 PolarHBondContact O-N 2.9Å; L67-G71 PolarHBondContact O-N 3.16Å; L67-A72 HydrophobicContact CB-CB 3.93Å; L67-A72 WeakPolarHBondContact O-CB 3.17Å; L67-A72 PolarHBondContact O-N 2.75Å; L67-C121 HydrophobicContact CD1-CB 4.05Å; L67-F122 HydrophobicContact CD2-CD1 4.3Å; L67-V125 HydrophobicContact CD2-CG1 4.08Å; L67-I145 HydrophobicContact CD2-CD1 4.06Å; L67-I145 HydrophobicContact CD2-CG1 4.33Å; L67-I145 HydrophobicContact CD2-CG2 3.96Å; L67-I145 HydrophobicContact CG-CG2 4.48Å
68Q96.8Very high97.1Very high73 Ų7350.5 Ų50.534%0.34124%0.239SC..Hα-helixtrans-59.1-38.4177.4-75.3-178.2-6100112Y64 K65 H70 G71 A72 D73Y64-Q68 HydrophobicContact CD1-CG 3.63Å; Y64-Q68 HydrophobicContact CE1-CG 3.36Å; Y64-Q68 HydrophobicContact CG-CG 4.5Å; Y64-Q68 WeakPolarHBondContact O-CG 3.4Å; Y64-Q68 PolarHBondContact O-N 3.26Å; K65-Q68 WeakPolarHBondContact O-CB 3.5Å; K65-Q68 PolarHBondContact O-N 2.65Å; K65-Q68 VanDerWaalsContact O-N 3.14Å; Q68-H70 PolarHBondContact O-N 3.09Å; Q68-G71 PolarHBondContact O-N 2.87Å; Q68-A72 HydrophobicContact CG-CB 4.41Å; Q68-D73 PolarHBondContact NE2-OD1 3.04Å; Q68-D73 PolarHBondContact NE2-OD2 3.34Å
69E96.3Very high97Very high125 Ų12552.8 Ų52.858%0.58425%0.249SC*.THydrogen-bonded Turntrans-59.2-16.7173.8-65.7-172-173.500113.5K65 L67 K128K65-E69 PolarHBondContact O-N 2.84Å; L67-E69 VanDerWaalsContact C-N 3.29Å; L67-E69 PolarHBondContact O-N 3.34Å; E69-K128 PolarHBondContact O-NZ 3.35Å
70H97.1Very high96.9Very high16 Ų1653 Ų537%0.07425%0.25CS..THydrogen-bonded Turntrans-114.419.2-179.8-58.7-69.5000114.1D66 L67 Q68 V125 K128 Y129 A143D66-H70 PolarHBondContact O-CD2 2.92Å; L67-H70 CarbonylContact O-C 3.54Å; L67-H70 WeakPolarHBondContact O-CA 3.29Å; L67-H70 PolarHBondContact O-N 2.9Å; Q68-H70 PolarHBondContact O-N 3.09Å; H70-V125 HydrophobicContact CB-CB 3.94Å; H70-V125 HydrophobicContact CB-CG2 4.04Å; H70-K128 HydrophobicContact CB-CD 3.9Å; H70-K128 PolarHBondContact ND1-NZ 2.89Å; H70-Y129 PolarHBondContact CE1-OH 2.77Å; H70-Y129 AromaticContact ND1-CE2 3.72Å; H70-A143 VanDerWaalsContact CE1-CB 3.47Å; H70-A143 WeakPolarHBondContact CE1-CB 3.41Å; H70-A143 WeakPolarHBondContact NE2-CA 3.27Å; H70-A143 VanDerWaalsContact NE2-CB 3.26Å; H70-A143 WeakPolarHBondContact NE2-CB 3.34Å
71G95.9Very high96.8Very high24 Ų2453.6 Ų53.625%0.24726%0.258CS..THydrogen-bonded Turntrans89.629.8168.600000114.5L67 Q68 E74 L75L67-G71 PolarHBondContact O-N 3.16Å; Q68-G71 PolarHBondContact O-N 2.87Å; G71-E74 VanDerWaalsContact C-OE2 3.28Å; G71-E74 WeakPolarHBondContact CA-OE2 3.46Å; G71-L75 PolarHBondContact O-N 2.96Å
72A96.6Very high96.7Very high0 Ų058.8 Ų58.80%029%0.294CS..Hα-helixtrans-60.4-45.1178.400000112.3Y64 L67 Q68 E74 L75 I76Y64-A72 HydrophobicContact CE2-CB 4.2Å; L67-A72 HydrophobicContact CB-CB 3.93Å; L67-A72 WeakPolarHBondContact O-CB 3.17Å; L67-A72 PolarHBondContact O-N 2.75Å; Q68-A72 HydrophobicContact CG-CB 4.41Å; A72-E74 PolarHBondContact O-N 3.04Å; A72-L75 PolarHBondContact O-N 3.44Å; A72-I76 WeakPolarHBondContact O-CB 3.41Å; A72-I76 WeakPolarHBondContact O-CG1 3.4Å; A72-I76 PolarHBondContact O-N 2.85Å
73D96.2Very high96.7Very high72 Ų7255 Ų5539%0.38528%0.277SS..Hα-helixtrans-66.7-41.1-174.3-63.9-24.5000111.7Y64 Q68 L75 I76 Q77Y64-D73 PolarHBondContact OH-OD1 3.13Å; Q68-D73 PolarHBondContact NE2-OD1 3.04Å; Q68-D73 PolarHBondContact NE2-OD2 3.34Å; D73-L75 PolarHBondContact O-N 3.24Å; D73-I76 PolarHBondContact O-N 2.94Å; D73-Q77 VanDerWaalsContact O-CB 3.24Å; D73-Q77 WeakPolarHBondContact O-CB 3.17Å; D73-Q77 PolarHBondContact O-N 3.27Å
74E96.7Very high96.8Very high132 Ų13256.6 Ų56.662%0.61729%0.285SS*.Hα-helixtrans-65-40.6176.8-62.683.7172.900111.8G71 A72 R78G71-E74 VanDerWaalsContact C-OE2 3.28Å; G71-E74 WeakPolarHBondContact CA-OE2 3.46Å; A72-E74 PolarHBondContact O-N 3.04Å; E74-R78 VanDerWaalsContact O-CB 3.32Å; E74-R78 WeakPolarHBondContact O-CB 3.12Å; E74-R78 PolarHBondContact O-N 3.3Å
75L96.4Very high96.8Very high8 Ų857.1 Ų57.14%0.04229%0.291CS..Hα-helixtrans-67.3-46.6176.9-173.3154.6000110.9G71 A72 D73 Q77 R78 E79 N120 A123 E127G71-L75 PolarHBondContact O-N 2.96Å; A72-L75 PolarHBondContact O-N 3.44Å; D73-L75 PolarHBondContact O-N 3.24Å; L75-Q77 VanDerWaalsContact C-N 3.31Å; L75-Q77 PolarHBondContact O-N 3.12Å; L75-R78 WeakPolarHBondContact O-CB 3.47Å; L75-R78 PolarHBondContact O-N 3.11Å; L75-R78 VanDerWaalsContact O-N 3.16Å; L75-E79 HydrophobicContact CD2-CG 3.71Å; L75-E79 HydrophobicContact CG-CG 4.4Å; L75-E79 WeakPolarHBondContact O-CB 3.44Å; L75-E79 WeakPolarHBondContact O-CG 3.08Å; L75-E79 PolarHBondContact O-N 2.92Å; L75-N120 HydrophobicContact CD2-CB 4.35Å; L75-N120 VanDerWaalsContact CD2-O 3.3Å; L75-N120 WeakPolarHBondContact CD2-O 3.28Å; L75-A123 HydrophobicContact CD1-CB 3.91Å; L75-A123 HydrophobicContact CD2-CB 4.48Å; L75-E127 HydrophobicContact CD1-CG 4.33Å; L75-E127 WeakPolarHBondContact CD1-OE1 3.4Å
76I97.4Very high96.6Very high2 Ų255 Ų551%0.0130%0.301CS..Hα-helixtrans-62-42178.8-68.5-63000110.5A72 D73 R78 E79 Y80 L84 V94 L117 N120A72-I76 WeakPolarHBondContact O-CB 3.41Å; A72-I76 WeakPolarHBondContact O-CG1 3.4Å; A72-I76 PolarHBondContact O-N 2.85Å; D73-I76 PolarHBondContact O-N 2.94Å; I76-R78 PolarHBondContact O-N 3.28Å; I76-E79 PolarHBondContact O-N 2.83Å; I76-Y80 HydrophobicContact CD1-CD2 4.26Å; I76-Y80 HydrophobicContact CD1-CE2 3.85Å; I76-Y80 HydrophobicContact CG2-CD2 3.95Å; I76-Y80 WeakPolarHBondContact O-CD2 3.36Å; I76-Y80 PolarHBondContact O-N 3.49Å; I76-L84 HydrophobicContact CG2-CD1 3.7Å; I76-L84 HydrophobicContact CG2-CD2 3.98Å; I76-L84 HydrophobicContact CG2-CG 4.47Å; I76-V94 HydrophobicContact CG2-CG1 3.73Å; I76-V94 HydrophobicContact CG2-CG2 4.42Å; I76-L117 HydrophobicContact CD1-CD1 4.12Å; I76-N120 HydrophobicContact CD1-CB 4.1Å
77Q97.4Very high96.6Very high100 Ų10058.8 Ų58.847%0.46733%0.325SS..Hα-helixtrans-62.7-41174.3-177.15969.200112.3D73 L75 G81 L84D73-Q77 VanDerWaalsContact O-CB 3.24Å; D73-Q77 WeakPolarHBondContact O-CB 3.17Å; D73-Q77 PolarHBondContact O-N 3.27Å; L75-Q77 VanDerWaalsContact C-N 3.31Å; L75-Q77 PolarHBondContact O-N 3.12Å; Q77-G81 PolarHBondContact NE2-O 3.18Å; Q77-G81 VanDerWaalsContact O-CA 3.31Å; Q77-G81 WeakPolarHBondContact O-CA 3.16Å; Q77-G81 PolarHBondContact O-N 3.23Å; Q77-L84 HydrophobicContact CB-CD2 4.27Å
78R96.7Very high96.6Very high136 Ų13661.5 Ų61.551%0.51334%0.343SS..Hα-helixtrans-61.9-43.7174.7-178.2-16976.5-162.34.6111.6E74 L75 I76 E127E74-R78 VanDerWaalsContact O-CB 3.32Å; E74-R78 WeakPolarHBondContact O-CB 3.12Å; E74-R78 PolarHBondContact O-N 3.3Å; L75-R78 WeakPolarHBondContact O-CB 3.47Å; L75-R78 PolarHBondContact O-N 3.11Å; L75-R78 VanDerWaalsContact O-N 3.16Å; I76-R78 PolarHBondContact O-N 3.28Å; R78-E127 IonicContact CZ-OE1 3.47Å; R78-E127 IonicContact CZ-OE2 3.33Å; R78-E127 IonicContact NH1-OE1 2.77Å; R78-E127 IonicContact NH1-OE2 2.69Å; R78-E127 PolarHBondContact NH1-OE2 2.69Å; R78-E127 IonicContact NH2-OE1 3.25Å; R78-E127 PolarHBondContact NH2-OE1 3.08Å; R78-E127 IonicContact NH2-OE2 3.14Å; R78-E127 PolarHBondContact NH2-OE2 2.74Å
79E95.9Very high96.6Very high47 Ų4760.2 Ų60.222%0.2234%0.337CS..Hα-helixtrans-75.7-43-174.9-70.8-52.714300112.8L75 I76 K113L75-E79 HydrophobicContact CD2-CG 3.71Å; L75-E79 HydrophobicContact CG-CG 4.4Å; L75-E79 WeakPolarHBondContact O-CB 3.44Å; L75-E79 WeakPolarHBondContact O-CG 3.08Å; L75-E79 PolarHBondContact O-N 2.92Å; I76-E79 PolarHBondContact O-N 2.83Å; E79-K113 WeakPolarHBondContact O-CE 3.29Å; E79-K113 PolarHBondContact O-NZ 3.08Å; E79-K113 WeakPolarHBondContact OE2-CE 3.17Å; E79-K113 IonicContact OE2-NZ 3.82Å; E79-K113 PolarHBondContact OE2-NZ 2.81Å
80Y97.2Very high96.7Very high6 Ų663.2 Ų63.22%0.02435%0.351CS..Hα-helixtrans-102.5-18.9-171.3-63.6-76.6000113.6I76 S82 Y83 L96 K113 L117 N120I76-Y80 HydrophobicContact CD1-CD2 4.26Å; I76-Y80 HydrophobicContact CD1-CE2 3.85Å; I76-Y80 HydrophobicContact CG2-CD2 3.95Å; I76-Y80 WeakPolarHBondContact O-CD2 3.36Å; I76-Y80 PolarHBondContact O-N 3.49Å; Y80-S82 PolarHBondContact O-N 3.38Å; Y80-S82 VanDerWaalsContact O-N 3.14Å; Y80-Y83 WeakPolarHBondContact O-CB 3.26Å; Y80-Y83 WeakPolarHBondContact O-CD2 3.27Å; Y80-Y83 PolarHBondContact O-N 2.87Å; Y80-L96 HydrophobicContact CD1-CD1 3.63Å; Y80-L96 HydrophobicContact CD1-CD2 3.67Å; Y80-L96 HydrophobicContact CD1-CG 4.3Å; Y80-L96 HydrophobicContact CD2-CD2 3.93Å; Y80-L96 HydrophobicContact CE1-CD1 3.47Å; Y80-L96 VanDerWaalsContact CE1-CD1 3.47Å; Y80-L96 HydrophobicContact CE1-CD2 4.22Å; Y80-L96 HydrophobicContact CE2-CD2 4.46Å; Y80-L96 HydrophobicContact CG-CD1 4.29Å; Y80-L96 HydrophobicContact CG-CD2 3.5Å; Y80-L96 VanDerWaalsContact CG-CD2 3.5Å; Y80-K113 HydrophobicContact CE1-CG 3.92Å; Y80-K113 PolarHBondContact OH-O 2.89Å; Y80-L117 HydrophobicContact CD2-CD1 4.37Å; Y80-L117 HydrophobicContact CE2-CD1 3.54Å; Y80-L117 WeakPolarHBondContact OH-CA 3.42Å; Y80-N120 HydrophobicContact CE2-CB 4.26Å; Y80-N120 PolarHBondContact OH-ND2 3.09Å
81G95.8Very high96.7Very high30 Ų3065.8 Ų65.831%0.30938%0.382SS..G310 helixtrans52.7-120.3171.700000112.4Q77 Y83 L84Q77-G81 PolarHBondContact NE2-O 3.18Å; Q77-G81 VanDerWaalsContact O-CA 3.31Å; Q77-G81 WeakPolarHBondContact O-CA 3.16Å; Q77-G81 PolarHBondContact O-N 3.23Å; G81-Y83 PolarHBondContact O-N 2.9Å; G81-L84 PolarHBondContact O-N 3.42Å
82S95.7Very high96.8Very high113 Ų11367 Ų6779%0.7938%0.38SS*.G310 helixtrans-69.1-14.8178.955.90000114.8Y80Y80-S82 PolarHBondContact O-N 3.38Å; Y80-S82 VanDerWaalsContact O-N 3.14Å
83Y97.3Very high96.8Very high72 Ų7269.4 Ų69.428%0.28239%0.393SS..G310 helixtrans-83.3-13.6176.2-57.4-66.8000112.5Y80 G81 A85 L96 L97 Y98 L110Y80-Y83 WeakPolarHBondContact O-CB 3.26Å; Y80-Y83 WeakPolarHBondContact O-CD2 3.27Å; Y80-Y83 PolarHBondContact O-N 2.87Å; G81-Y83 PolarHBondContact O-N 2.9Å; Y83-A85 PolarHBondContact O-N 2.75Å; Y83-L96 CarbonylContact O-C 3.59Å; Y83-L96 VanDerWaalsContact O-CA 3.25Å; Y83-L96 WeakPolarHBondContact O-CA 3.33Å; Y83-L97 PolarHBondContact O-N 2.8Å; Y83-Y98 AromaticContact CD1-CD1 3.45Å; Y83-Y98 HydrophobicContact CD1-CD1 3.45Å; Y83-Y98 VanDerWaalsContact CD1-CD1 3.45Å; Y83-Y98 AromaticContact CD1-CE1 3.55Å; Y83-Y98 HydrophobicContact CD1-CE1 3.55Å; Y83-Y98 HydrophobicContact CD2-CE1 4.39Å; Y83-Y98 AromaticContact CE1-CD1 3.91Å; Y83-Y98 HydrophobicContact CE1-CD1 3.91Å; Y83-Y98 HydrophobicContact CE1-CE1 4.17Å; Y83-Y98 HydrophobicContact CG-CD1 4.07Å; Y83-Y98 AromaticContact CG-CE1 3.67Å; Y83-Y98 HydrophobicContact CG-CE1 3.67Å; Y83-L110 HydrophobicContact CD1-CD1 4.47Å; Y83-L110 HydrophobicContact CD2-CD1 3.83Å; Y83-L110 HydrophobicContact CE1-CD1 4.13Å; Y83-L110 HydrophobicContact CE1-CD2 4.11Å; Y83-L110 HydrophobicContact CE2-CD1 3.43Å; Y83-L110 VanDerWaalsContact CE2-CD1 3.43Å; Y83-L110 HydrophobicContact CG-CD1 4.32Å
84L97.9Very high96.9Very high38 Ų3866.2 Ų66.220%0.19938%0.375CS..BIsolated β-bridgetrans-74.1125.6173.9-175.262.5000109.4I76 Q77 G81 V94 L96I76-L84 HydrophobicContact CG2-CD1 3.7Å; I76-L84 HydrophobicContact CG2-CD2 3.98Å; I76-L84 HydrophobicContact CG2-CG 4.47Å; Q77-L84 HydrophobicContact CB-CD2 4.27Å; G81-L84 PolarHBondContact O-N 3.42Å; L84-V94 HydrophobicContact CD1-CG1 3.7Å; L84-L96 HydrophobicContact CD1-CD2 4.12Å
85A97Very high97Very high17 Ų1760 Ų6014%0.1435%0.346CS..  trans-66.8140.8174.100000110.3Y83 V87 S95 L97Y83-A85 PolarHBondContact O-N 2.75Å; A85-V87 PolarHBondContact O-N 3.34Å; A85-S95 VanDerWaalsContact CB-O 3.3Å; A85-S95 WeakPolarHBondContact CB-O 3.32Å; A85-S95 PolarHBondContact N-O 2.89Å; A85-L97 HydrophobicContact CB-CB 4.41Å
86A94.6Very high97.1Very high108 Ų10859.6 Ų59.689%0.89334%0.344SS*.SBendtrans-61.7-31.618000000112.9
87V95.4Very high97.1Very high115 Ų11561.9 Ų61.970%0.69736%0.357SS*.SBendtrans-129.7128174.5-175.10000107.5A85A85-V87 PolarHBondContact O-N 3.34Å
88P97.6Very high97.1Very high57 Ų5757.2 Ų57.237%0.3733%0.334SS..PPolyproline II helixtrans-59.9151.1172.4-21.832.8000111.9N93P88-N93 VanDerWaalsContact CG-O 3.29Å; P88-N93 WeakPolarHBondContact CG-O 3.48Å
89E97.9Very high97.1Very high47 Ų4753.5 Ų53.522%0.2233%0.325CS..PPolyproline II helixtrans-57.1142.6170.2-175.3177.3-166.100110.8H44 M56 S58 G91 Y92 S95H44-E89 IonicContact CE1-OE1 3.53Å; H44-E89 PolarHBondContact CE1-OE1 3.29Å; H44-E89 IonicContact CE1-OE2 3.13Å; H44-E89 IonicContact CG-OE2 2.68Å; H44-E89 IonicContact ND1-OE1 3.71Å; H44-E89 PolarHBondContact ND1-OE1 3.27Å; H44-E89 IonicContact ND1-OE2 3.84Å; H44-E89 PolarHBondContact ND1-OE2 2.83Å; M56-E89 HydrophobicContact SD-CB 3.98Å; S58-E89 WeakPolarHBondContact CB-OE2 3.45Å; S58-E89 VanDerWaalsContact OG-CB 3.3Å; S58-E89 WeakPolarHBondContact OG-CB 3.31Å; S58-E89 PolarHBondContact OG-OE2 2.97Å; E89-G91 PolarHBondContact O-N 3.41Å; E89-Y92 HydrophobicContact CB-CD2 3.92Å; E89-Y92 HydrophobicContact CB-CG 4.47Å; E89-Y92 HydrophobicContact CG-CD2 3.82Å; E89-Y92 HydrophobicContact CG-CE2 4.26Å; E89-Y92 WeakPolarHBondContact O-CB 3.44Å; E89-Y92 PolarHBondContact O-N 3.29Å; E89-S95 WeakPolarHBondContact CB-OG 3.22Å; E89-S95 PolarHBondContact N-OG 3.48Å
90E97.1Very high97Very high188 Ų18852.3 Ų52.388%0.87932%0.32SS*.THydrogen-bonded Turntrans-55.9127.8179.6-171.8179176.900111.4Y92E90-Y92 VanDerWaalsContact C-N 3.32Å; E90-Y92 WeakPolarHBondContact O-CD2 3.36Å
91G96.9Very high96.8Very high70 Ų7056.9 Ų56.972%0.72235%0.349SS*.THydrogen-bonded Turntrans85.9-3.5-176.800000115.1E89E89-G91 PolarHBondContact O-N 3.41Å
92Y98.3Very high96.6Very high49 Ų4958.9 Ų58.919%0.19236%0.358CS..  trans-115.1163.2177.4-61.3-92.9000111.3T42 H44 A60 E89 E90T42-Y92 HydrophobicContact CG2-CE1 4.49Å; H44-Y92 HydrophobicContact CB-CD1 4.48Å; H44-Y92 HydrophobicContact CB-CE1 3.62Å; H44-Y92 HydrophobicContact CB-CE2 4.04Å; H44-Y92 VanDerWaalsContact CB-OH 3.27Å; H44-Y92 WeakPolarHBondContact CB-OH 3.26Å; A60-Y92 HydrophobicContact CB-CD1 3.66Å; A60-Y92 HydrophobicContact CB-CE1 4.11Å; A60-Y92 HydrophobicContact CB-CG 4.39Å; E89-Y92 HydrophobicContact CB-CD2 3.92Å; E89-Y92 HydrophobicContact CB-CG 4.47Å; E89-Y92 HydrophobicContact CG-CD2 3.82Å; E89-Y92 HydrophobicContact CG-CE2 4.26Å; E89-Y92 WeakPolarHBondContact O-CB 3.44Å; E89-Y92 PolarHBondContact O-N 3.29Å; E90-Y92 VanDerWaalsContact C-N 3.32Å; E90-Y92 WeakPolarHBondContact O-CD2 3.36Å
93N97.9Very high96.5Very high51 Ų5155 Ų5527%0.27333%0.328SS..SBendtrans-98.6-38.4-176-60.1107.3000112.7I59 A60 L61 Y64 P88I59-N93 PolarHBondContact O-N 2.85Å; A60-N93 VanDerWaalsContact CA-OD1 3.31Å; A60-N93 WeakPolarHBondContact CA-OD1 3.45Å; L61-N93 PolarHBondContact N-OD1 3.12Å; L61-N93 PolarHBondContact O-OD1 3.14Å; L61-N93 VanDerWaalsContact O-OD1 3.1Å; Y64-N93 VanDerWaalsContact CB-CG 3.5Å; Y64-N93 HydrophobicContact CD1-CB 3.61Å; Y64-N93 HydrophobicContact CD2-CB 3.98Å; Y64-N93 HydrophobicContact CE1-CB 4.12Å; Y64-N93 HydrophobicContact CE2-CB 4.45Å; Y64-N93 HydrophobicContact CG-CB 3.53Å; P88-N93 VanDerWaalsContact CG-O 3.29Å; P88-N93 WeakPolarHBondContact CG-O 3.48Å
94V98.3Very high96.3Very high4 Ų453.9 Ų53.92%0.02433%0.33CS..EExtended strand (participates in β ladder)trans-136.9137.1179.4177.50000108.4S58 I59 Y64 I76 L84 L96 L117S58-V94 CarbonylContact C-O 3.46Å; S58-V94 WeakPolarHBondContact CA-O 3.43Å; I59-V94 HydrophobicContact CG2-CB 3.72Å; I59-V94 HydrophobicContact CG2-CG2 4.49Å; I59-V94 PolarHBondContact N-O 3.49Å; I59-V94 PolarHBondContact O-N 3.41Å; Y64-V94 HydrophobicContact CE1-CG2 4.26Å; Y64-V94 HydrophobicContact CE2-CG2 3.61Å; Y64-V94 VanDerWaalsContact CZ-CG2 3.44Å; Y64-V94 VanDerWaalsContact OH-CG2 3.25Å; Y64-V94 WeakPolarHBondContact OH-CG2 3.47Å; I76-V94 HydrophobicContact CG2-CG1 3.73Å; I76-V94 HydrophobicContact CG2-CG2 4.42Å; L84-V94 HydrophobicContact CD1-CG1 3.7Å; V94-L96 HydrophobicContact CG1-CD2 4.39Å; V94-L117 HydrophobicContact CG1-CD1 4.06Å
95S98.5Very high95.8Very high1 Ų157.4 Ų57.41%0.00736%0.364CS..EExtended strand (participates in β ladder)trans-131.3128.8175.8-62.80000110.8V57 S58 A85 E89V57-S95 WeakPolarHBondContact O-CA 3.4Å; S58-S95 WeakPolarHBondContact CB-OG 3.49Å; S58-S95 WeakPolarHBondContact OG-CB 3.47Å; S58-S95 PolarHBondContact OG-OG 3.23Å; A85-S95 VanDerWaalsContact CB-O 3.3Å; A85-S95 WeakPolarHBondContact CB-O 3.32Å; A85-S95 PolarHBondContact N-O 2.89Å; E89-S95 WeakPolarHBondContact CB-OG 3.22Å; E89-S95 PolarHBondContact N-OG 3.48Å
96L98.4Very high95.5Very high0 Ų061.3 Ų61.30%038%0.383CS..EExtended strand (participates in β ladder)trans-100.7132.3174-52-179.4000108.9M56 V57 Y80 Y83 L84 V94 Y98 A114 L117M56-L96 CarbonylContact C-O 3.58Å; M56-L96 WeakPolarHBondContact CA-O 3.44Å; V57-L96 HydrophobicContact CB-CB 4.4Å; V57-L96 PolarHBondContact N-O 2.86Å; V57-L96 PolarHBondContact O-N 3.43Å; Y80-L96 HydrophobicContact CD1-CD1 3.63Å; Y80-L96 HydrophobicContact CD1-CD2 3.67Å; Y80-L96 HydrophobicContact CD1-CG 4.3Å; Y80-L96 HydrophobicContact CD2-CD2 3.93Å; Y80-L96 HydrophobicContact CE1-CD1 3.47Å; Y80-L96 VanDerWaalsContact CE1-CD1 3.47Å; Y80-L96 HydrophobicContact CE1-CD2 4.22Å; Y80-L96 HydrophobicContact CE2-CD2 4.46Å; Y80-L96 HydrophobicContact CG-CD1 4.29Å; Y80-L96 HydrophobicContact CG-CD2 3.5Å; Y80-L96 VanDerWaalsContact CG-CD2 3.5Å; Y83-L96 CarbonylContact O-C 3.59Å; Y83-L96 VanDerWaalsContact O-CA 3.25Å; Y83-L96 WeakPolarHBondContact O-CA 3.33Å; L84-L96 HydrophobicContact CD1-CD2 4.12Å; V94-L96 HydrophobicContact CG1-CD2 4.39Å; L96-Y98 HydrophobicContact CB-CE2 3.73Å; L96-Y98 HydrophobicContact CD1-CE2 4.44Å; L96-Y98 VanDerWaalsContact CD1-OH 3.31Å; L96-Y98 WeakPolarHBondContact CD1-OH 3.45Å; L96-A114 HydrophobicContact CD1-CB 4.27Å; L96-L117 HydrophobicContact CD1-CD1 4.18Å; L96-L117 HydrophobicContact CD1-CD2 4.01Å; L96-L117 HydrophobicContact CD2-CD1 4.47Å; L96-L117 HydrophobicContact CG-CD1 4.45Å; L96-L117 HydrophobicContact CG-CD2 4.11Å
97L97.9Very high95.6Very high51 Ų5158.1 Ų58.127%0.26735%0.348SS..EExtended strand (participates in β ladder)trans-116.4122.5179.7-175.662.2000110.2P48 Q54 M56 Y83 A85P48-L97 HydrophobicContact CG-CD1 3.77Å; Q54-L97 HydrophobicContact CB-CD1 4.03Å; M56-L97 HydrophobicContact CB-CD1 4.33Å; M56-L97 HydrophobicContact CE-CD1 4.01Å; Y83-L97 PolarHBondContact O-N 2.8Å; A85-L97 HydrophobicContact CB-CB 4.41Å
98Y97.1Very high95.6Very high1 Ų154.3 Ų54.30%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-115.4123177.2-57.7-78.4000110F19 Q54 I55 V57 Y83 L96 L110 A114F19-Y98 HydrophobicContact CE1-CG 4.39Å; F19-Y98 HydrophobicContact CZ-CD1 4.25Å; F19-Y98 HydrophobicContact CZ-CD2 4.27Å; F19-Y98 AromaticContact CZ-CG 3.95Å; F19-Y98 HydrophobicContact CZ-CG 3.95Å; Q54-Y98 WeakPolarHBondContact CA-O 3.31Å; I55-Y98 HydrophobicContact CG2-CD2 4.27Å; I55-Y98 HydrophobicContact CG2-CG 4.46Å; I55-Y98 PolarHBondContact N-O 2.95Å; I55-Y98 PolarHBondContact O-N 2.84Å; V57-Y98 HydrophobicContact CG2-CD2 4.46Å; V57-Y98 HydrophobicContact CG2-CE2 4.15Å; Y83-Y98 AromaticContact CD1-CD1 3.45Å; Y83-Y98 HydrophobicContact CD1-CD1 3.45Å; Y83-Y98 VanDerWaalsContact CD1-CD1 3.45Å; Y83-Y98 AromaticContact CD1-CE1 3.55Å; Y83-Y98 HydrophobicContact CD1-CE1 3.55Å; Y83-Y98 HydrophobicContact CD2-CE1 4.39Å; Y83-Y98 AromaticContact CE1-CD1 3.91Å; Y83-Y98 HydrophobicContact CE1-CD1 3.91Å; Y83-Y98 HydrophobicContact CE1-CE1 4.17Å; Y83-Y98 HydrophobicContact CG-CD1 4.07Å; Y83-Y98 AromaticContact CG-CE1 3.67Å; Y83-Y98 HydrophobicContact CG-CE1 3.67Å; L96-Y98 HydrophobicContact CB-CE2 3.73Å; L96-Y98 HydrophobicContact CD1-CE2 4.44Å; L96-Y98 VanDerWaalsContact CD1-OH 3.31Å; L96-Y98 WeakPolarHBondContact CD1-OH 3.45Å; Y98-L110 HydrophobicContact CD1-CD1 4.36Å; Y98-L110 HydrophobicContact CD1-CD2 3.78Å; Y98-L110 HydrophobicContact CD1-CG 4.1Å; Y98-L110 HydrophobicContact CE1-CD1 3.66Å; Y98-L110 HydrophobicContact CE1-CD2 3.89Å; Y98-L110 HydrophobicContact CE1-CG 3.67Å; Y98-A114 HydrophobicContact CE2-CB 4.16Å; Y98-A114 VanDerWaalsContact OH-CB 3.26Å; Y98-A114 WeakPolarHBondContact OH-CB 3.39Å
99N95.4Very high95.4Very high59 Ų5957.3 Ų57.332%0.31634%0.339SS..EExtended strand (participates in β ladder)trans-85.7115.6169.4176.44.5000109.5N53 T101 S102N53-N99 PolarHBondContact O-OD1 2.97Å; N99-T101 VanDerWaalsContact CG-OG1 3.22Å; N99-T101 PolarHBondContact ND2-OG1 3.44Å; N99-T101 VanDerWaalsContact ND2-OG1 3.11Å; N99-T101 PolarHBondContact O-N 3.32Å; N99-T101 WeakPolarHBondContact OD1-CB 3.13Å; N99-T101 PolarHBondContact OD1-N 3.31Å; N99-T101 PolarHBondContact OD1-OG1 3.45Å; N99-S102 WeakPolarHBondContact CB-OG 3.3Å; N99-S102 PolarHBondContact ND2-OG 2.77Å; N99-S102 CarbonylContact O-C 3.59Å; N99-S102 PolarHBondContact O-N 3.29Å; N99-S102 PolarHBondContact O-OG 2.89Å
100L94.6Very high95.3Very high22 Ų2255.9 Ų55.912%0.11533%0.333CS..THydrogen-bonded Turntrans-69.6-16.2-177.4-60.2-177.9000113.2F19 A22 R52 N53 I55 L103F19-L100 HydrophobicContact CD1-CD2 3.56Å; F19-L100 HydrophobicContact CE1-CD2 3.7Å; A22-L100 HydrophobicContact CB-CB 3.88Å; A22-L100 HydrophobicContact CB-CD1 4.49Å; A22-L100 HydrophobicContact CB-CD2 4.47Å; R52-L100 WeakPolarHBondContact O-CD1 3.33Å; N53-L100 VanDerWaalsContact O-CB 3.3Å; N53-L100 WeakPolarHBondContact O-CB 3.44Å; N53-L100 WeakPolarHBondContact O-CG 3.3Å; N53-L100 PolarHBondContact O-N 3.19Å; I55-L100 HydrophobicContact CG2-CD2 3.8Å; I55-L100 HydrophobicContact CG2-CG 4.4Å; L100-L103 HydrophobicContact CD2-CD1 4.14Å
101T92.4Very high95.3Very high102 Ų10247 Ų4763%0.62629%0.291SS*.THydrogen-bonded Turntrans-84.4-12.8175.565.20000113.1N53 N99N53-T101 HydrophobicContact CB-CG2 4.13Å; N99-T101 VanDerWaalsContact CG-OG1 3.22Å; N99-T101 PolarHBondContact ND2-OG1 3.44Å; N99-T101 VanDerWaalsContact ND2-OG1 3.11Å; N99-T101 PolarHBondContact O-N 3.32Å; N99-T101 WeakPolarHBondContact OD1-CB 3.13Å; N99-T101 PolarHBondContact OD1-N 3.31Å; N99-T101 PolarHBondContact OD1-OG1 3.45Å
102S92.8Very high95.3Very high72 Ų7247.7 Ų47.750%0.50327%0.272SS..SBendtrans-129.745.7-175.364.90000111.6N99N99-S102 WeakPolarHBondContact CB-OG 3.3Å; N99-S102 PolarHBondContact ND2-OG 2.77Å; N99-S102 CarbonylContact O-C 3.59Å; N99-S102 PolarHBondContact O-N 3.29Å; N99-S102 PolarHBondContact O-OG 2.89Å
103L93.6Very high95.2Very high32 Ų3248.8 Ų48.817%0.16828%0.278CS..  trans-81.8147177.2-68.1171000111.1F19 A22 V23 L100 L110F19-L103 HydrophobicContact CB-CD1 3.88Å; F19-L103 HydrophobicContact CD1-CD1 3.71Å; F19-L103 HydrophobicContact CD1-CD2 3.91Å; F19-L103 HydrophobicContact CD1-CG 4.49Å; F19-L103 HydrophobicContact CE1-CD1 4.47Å; F19-L103 HydrophobicContact CE1-CD2 3.88Å; F19-L103 HydrophobicContact CG-CD1 3.92Å; F19-L103 HydrophobicContact CG-CD2 4.27Å; F19-L103 HydrophobicContact CZ-CD2 4.21Å; A22-L103 HydrophobicContact CB-CD1 4.26Å; V23-L103 HydrophobicContact CG2-CD1 4.28Å; L100-L103 HydrophobicContact CD2-CD1 4.14Å; L103-L110 HydrophobicContact CD2-CD2 4.21Å
104P92.8Very high95.2Very high48 Ų4846.4 Ų46.431%0.31227%0.265SS..  trans-64.7158.8169.229.4-34.6000111D106 L110P104-D106 VanDerWaalsContact C-N 3.28Å; P104-D106 WeakPolarHBondContact CG-O 3.43Å; P104-D106 PolarHBondContact O-N 3.02Å; P104-L110 HydrophobicContact CG-CD2 4.24Å
105A87.6Confident95.2Very high111 Ų11146.2 Ų46.292%0.91726%0.264SS*.SBendtrans-59.4-40.2177.800000112.1
106D91.1Very high95.1Very high100 Ų10049.1 Ų49.154%0.53528%0.275SS..  trans-105.3105.9168.1-170.1-6.6000110P104 S108P104-D106 VanDerWaalsContact C-N 3.28Å; P104-D106 WeakPolarHBondContact CG-O 3.43Å; P104-D106 PolarHBondContact O-N 3.02Å; D106-S108 VanDerWaalsContact OD1-CB 3.29Å; D106-S108 WeakPolarHBondContact OD1-CB 3.31Å; D106-S108 PolarHBondContact OD1-N 2.85Å; D106-S108 PolarHBondContact OD1-OG 3.31Å
107Y95.5Very high95.1Very high41 Ų4149.1 Ų49.116%0.16128%0.275CS..  trans-97.60.6179.153.2-102.7000113M16 F19 S20 V23 L110 A111M16-Y107 HydrophobicContact CE-CD2 4.25Å; M16-Y107 HydrophobicContact CE-CE2 3.75Å; M16-Y107 HydrophobicContact SD-CD2 3.84Å; M16-Y107 HydrophobicContact SD-CE2 3.89Å; F19-Y107 HydrophobicContact CB-CD1 4.27Å; F19-Y107 HydrophobicContact CB-CD2 3.53Å; F19-Y107 HydrophobicContact CB-CE2 3.91Å; F19-Y107 HydrophobicContact CB-CG 3.74Å; F19-Y107 AromaticContact CD2-CD2 3.93Å; F19-Y107 HydrophobicContact CD2-CD2 3.93Å; F19-Y107 HydrophobicContact CD2-CG 4.11Å; F19-Y107 HydrophobicContact CG-CD2 4.25Å; F19-Y107 HydrophobicContact CG-CG 4.35Å; S20-Y107 WeakPolarHBondContact CA-OH 3.19Å; S20-Y107 WeakPolarHBondContact CB-OH 3.38Å; V23-Y107 HydrophobicContact CB-CE1 4.42Å; V23-Y107 HydrophobicContact CG2-CD1 4.09Å; V23-Y107 HydrophobicContact CG2-CE1 3.95Å; Y107-L110 WeakPolarHBondContact O-CB 3.44Å; Y107-L110 PolarHBondContact O-N 3.4Å; Y107-A111 PolarHBondContact O-N 3.09Å
108S95.8Very high95Very high34 Ų3447 Ų4724%0.23826%0.264CS..Hα-helixtrans-67.2-44.9-175.766.80000112.2D106 L110 A111 R112D106-S108 VanDerWaalsContact OD1-CB 3.29Å; D106-S108 WeakPolarHBondContact OD1-CB 3.31Å; D106-S108 PolarHBondContact OD1-N 2.85Å; D106-S108 PolarHBondContact OD1-OG 3.31Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 PolarHBondContact O-N 3.06Å; S108-A111 PolarHBondContact O-N 2.85Å; S108-R112 WeakPolarHBondContact O-CB 3.4Å; S108-R112 PolarHBondContact O-N 3.15Å
109D94.5Very high95Very high120 Ų12047.6 Ų47.664%0.64227%0.266SS*.Hα-helixtrans-63.4-35.4174-77.3-21.5000111.9R112 K113D109-R112 PolarHBondContact O-N 3.23Å; D109-K113 VanDerWaalsContact O-CB 3.28Å; D109-K113 WeakPolarHBondContact O-CB 3.38Å; D109-K113 PolarHBondContact O-N 2.94Å
110L95.7Very high95.1Very high18 Ų1845 Ų459%0.09425%0.252CS..Hα-helixtrans-63.8-49.4176.8-169.364.5000111F19 Y83 Y98 L103 P104 Y107 S108 R112 K113 A114F19-L110 HydrophobicContact CE2-CD2 4.16Å; F19-L110 HydrophobicContact CE2-CG 4.37Å; F19-L110 HydrophobicContact CZ-CD2 4.36Å; Y83-L110 HydrophobicContact CD1-CD1 4.47Å; Y83-L110 HydrophobicContact CD2-CD1 3.83Å; Y83-L110 HydrophobicContact CE1-CD1 4.13Å; Y83-L110 HydrophobicContact CE1-CD2 4.11Å; Y83-L110 HydrophobicContact CE2-CD1 3.43Å; Y83-L110 VanDerWaalsContact CE2-CD1 3.43Å; Y83-L110 HydrophobicContact CG-CD1 4.32Å; Y98-L110 HydrophobicContact CD1-CD1 4.36Å; Y98-L110 HydrophobicContact CD1-CD2 3.78Å; Y98-L110 HydrophobicContact CD1-CG 4.1Å; Y98-L110 HydrophobicContact CE1-CD1 3.66Å; Y98-L110 HydrophobicContact CE1-CD2 3.89Å; Y98-L110 HydrophobicContact CE1-CG 3.67Å; L103-L110 HydrophobicContact CD2-CD2 4.21Å; P104-L110 HydrophobicContact CG-CD2 4.24Å; Y107-L110 WeakPolarHBondContact O-CB 3.44Å; Y107-L110 PolarHBondContact O-N 3.4Å; S108-L110 VanDerWaalsContact C-N 3.28Å; S108-L110 PolarHBondContact O-N 3.06Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 3.35Å; L110-K113 PolarHBondContact O-N 3.43Å; L110-A114 WeakPolarHBondContact O-CB 3.23Å; L110-A114 PolarHBondContact O-N 2.69Å
111A97.2Very high95.2Very high0 Ų044 Ų440%025%0.247CC..Hα-helixtrans-63-37.7175.400000111.9Y12 L15 M16 F19 Y107 S108 S115Y12-A111 HydrophobicContact CD2-CB 3.94Å; Y12-A111 HydrophobicContact CE2-CB 4.1Å; L15-A111 HydrophobicContact CB-CB 3.86Å; L15-A111 HydrophobicContact CD1-CB 4.49Å; M16-A111 HydrophobicContact CG-CB 4Å; M16-A111 HydrophobicContact SD-CB 3.83Å; F19-A111 HydrophobicContact CD2-CB 4.29Å; F19-A111 HydrophobicContact CE2-CB 4.13Å; Y107-A111 PolarHBondContact O-N 3.09Å; S108-A111 PolarHBondContact O-N 2.85Å; A111-S115 WeakPolarHBondContact O-CB 3.48Å; A111-S115 PolarHBondContact O-N 3.3Å; A111-S115 PolarHBondContact O-OG 3.09Å
112R96.5Very high95.4Very high85 Ų8539.4 Ų39.432%0.32122%0.218SC..Hα-helixtrans-66-41.8176.3-172.463.962.7159.52.1111.5H7 Y12 S108 D109 L110 S115 R116H7-R112 PolarHBondContact CD2-NH1 3.28Å; H7-R112 PolarHBondContact CE1-NH1 2.88Å; H7-R112 PolarHBondContact ND1-NH1 3.16Å; H7-R112 VanDerWaalsContact ND1-NH1 3.15Å; H7-R112 PolarHBondContact NE2-NH1 3.37Å; H7-R112 VanDerWaalsContact NE2-NH1 3.14Å; Y12-R112 HydrophobicContact CD2-CB 4.41Å; Y12-R112 HydrophobicContact CE2-CB 4.23Å; Y12-R112 VanDerWaalsContact CZ-NH2 3.34Å; Y12-R112 PolarHBondContact OH-NH2 2.85Å; S108-R112 WeakPolarHBondContact O-CB 3.4Å; S108-R112 PolarHBondContact O-N 3.15Å; D109-R112 PolarHBondContact O-N 3.23Å; L110-R112 VanDerWaalsContact C-N 3.31Å; L110-R112 PolarHBondContact O-N 3.35Å; R112-S115 WeakPolarHBondContact CA-OG 3.49Å; R112-S115 PolarHBondContact O-N 3.24Å; R112-S115 PolarHBondContact O-OG 3.1Å; R112-R116 WeakPolarHBondContact O-CG 3.46Å; R112-R116 PolarHBondContact O-N 2.75Å
113K96Very high95.7Very high73 Ų7336 Ų3632%0.31719%0.194SC..Hα-helixtrans-68.4-39.1178.6-165.7171.1-170.4170.40111.6E79 Y80 D109 L110 R116E79-K113 WeakPolarHBondContact O-CE 3.29Å; E79-K113 PolarHBondContact O-NZ 3.08Å; E79-K113 WeakPolarHBondContact OE2-CE 3.17Å; E79-K113 IonicContact OE2-NZ 3.82Å; E79-K113 PolarHBondContact OE2-NZ 2.81Å; Y80-K113 HydrophobicContact CE1-CG 3.92Å; Y80-K113 PolarHBondContact OH-O 2.89Å; D109-K113 VanDerWaalsContact O-CB 3.28Å; D109-K113 WeakPolarHBondContact O-CB 3.38Å; D109-K113 PolarHBondContact O-N 2.94Å; L110-K113 PolarHBondContact O-N 3.43Å; K113-R116 PolarHBondContact O-N 2.82Å
114A97.4Very high95.8Very high0 Ų034.7 Ų34.70%019%0.188CC..Hα-helixtrans-62.6-44.317400000112.2L15 L96 Y98 L110 R116 L117L15-A114 HydrophobicContact CD1-CB 3.43Å; L15-A114 VanDerWaalsContact CD1-CB 3.43Å; L96-A114 HydrophobicContact CD1-CB 4.27Å; Y98-A114 HydrophobicContact CE2-CB 4.16Å; Y98-A114 VanDerWaalsContact OH-CB 3.26Å; Y98-A114 WeakPolarHBondContact OH-CB 3.39Å; L110-A114 WeakPolarHBondContact O-CB 3.23Å; L110-A114 PolarHBondContact O-N 2.69Å; A114-R116 PolarHBondContact O-N 3.1Å; A114-L117 VanDerWaalsContact O-CB 3.28Å; A114-L117 WeakPolarHBondContact O-CB 3.38Å; A114-L117 PolarHBondContact O-N 2.75Å
115S97.5Very high96Very high1 Ų132.4 Ų32.41%0.00717%0.173CC..Hα-helixtrans-69.4-11.7179.556.20000114H7 H8 A111 R112H7-S115 CarbonylContact C-O 3.52Å; H7-S115 WeakPolarHBondContact CA-O 3.23Å; H8-S115 PolarHBondContact N-O 3.02Å; H8-S115 WeakPolarHBondContact O-CB 3.44Å; A111-S115 WeakPolarHBondContact O-CB 3.48Å; A111-S115 PolarHBondContact O-N 3.3Å; A111-S115 PolarHBondContact O-OG 3.09Å; R112-S115 WeakPolarHBondContact CA-OG 3.49Å; R112-S115 PolarHBondContact O-N 3.24Å; R112-S115 PolarHBondContact O-OG 3.1Å
116R97.5Very high96.5Very high62 Ų6227.1 Ų27.123%0.23413%0.129CC..THydrogen-bonded Turntrans-94.715.7173.8-68.4176.365.1123.31.5113.7H7 R112 K113 A114 K118 R119 N120 D242H7-R116 HydrophobicContact CB-CG 3.6Å; R112-R116 WeakPolarHBondContact O-CG 3.46Å; R112-R116 PolarHBondContact O-N 2.75Å; K113-R116 PolarHBondContact O-N 2.82Å; A114-R116 PolarHBondContact O-N 3.1Å; R116-K118 PolarHBondContact O-N 2.84Å; R116-R119 WeakPolarHBondContact O-CB 3.36Å; R116-R119 PolarHBondContact O-N 2.6Å; R116-R119 VanDerWaalsContact O-N 3.1Å; R116-N120 PolarHBondContact O-N 2.82Å; R116-D242 IonicContact CZ-OD1 3.83Å; R116-D242 IonicContact CZ-OD2 3.51Å; R116-D242 IonicContact NH1-OD2 3.58Å; R116-D242 PolarHBondContact NH1-OD2 2.95Å; R116-D242 IonicContact NH2-OD1 3.8Å; R116-D242 PolarHBondContact NH2-OD1 3.44Å; R116-D242 IonicContact NH2-OD2 2.75Å; R116-D242 PolarHBondContact NH2-OD2 3Å
117L97.4Very high96.8Very high0 Ų023.6 Ų23.60%011%0.109CC..Hα-helixtrans-57.2-46-173.7-176.257000113.4Y43 I59 I76 Y80 V94 L96 A114 R119 N120 C121Y43-L117 HydrophobicContact CE1-CB 4.28Å; Y43-L117 HydrophobicContact CE1-CD2 4.38Å; I59-L117 HydrophobicContact CB-CD2 3.82Å; I59-L117 HydrophobicContact CB-CG 4.32Å; I59-L117 HydrophobicContact CD1-CG 4.25Å; I59-L117 HydrophobicContact CG2-CD2 3.48Å; I59-L117 VanDerWaalsContact CG2-CD2 3.48Å; I59-L117 HydrophobicContact CG2-CG 3.81Å; I76-L117 HydrophobicContact CD1-CD1 4.12Å; Y80-L117 HydrophobicContact CD2-CD1 4.37Å; Y80-L117 HydrophobicContact CE2-CD1 3.54Å; Y80-L117 WeakPolarHBondContact OH-CA 3.42Å; V94-L117 HydrophobicContact CG1-CD1 4.06Å; L96-L117 HydrophobicContact CD1-CD1 4.18Å; L96-L117 HydrophobicContact CD1-CD2 4.01Å; L96-L117 HydrophobicContact CD2-CD1 4.47Å; L96-L117 HydrophobicContact CG-CD1 4.45Å; L96-L117 HydrophobicContact CG-CD2 4.11Å; A114-L117 VanDerWaalsContact O-CB 3.28Å; A114-L117 WeakPolarHBondContact O-CB 3.38Å; A114-L117 PolarHBondContact O-N 2.75Å; L117-R119 PolarHBondContact O-N 3.31Å; L117-N120 PolarHBondContact O-N 3.12Å; L117-N120 VanDerWaalsContact O-N 3.17Å; L117-C121 PolarHBondContact O-N 2.72Å; L117-C121 PolarHBondContact O-SG 3Å
118K97.4Very high96.9Very high6 Ų625.8 Ų25.83%0.02612%0.12CC..Hα-helixtrans-55.1-49.1173.1172.9-178.3174.7-179.30112.4D37 F38 D39 V41 Y43 I59 R116 N120 C121 F122D37-K118 IonicContact OD1-NZ 2.95Å; F38-K118 VanDerWaalsContact C-NZ 3.34Å; F38-K118 PolarHBondContact O-NZ 3.29Å; D39-K118 IonicContact OD2-NZ 3.92Å; D39-K118 PolarHBondContact OD2-NZ 3.04Å; V41-K118 HydrophobicContact CG2-CD 4.11Å; Y43-K118 WeakPolarHBondContact OH-CB 3.47Å; Y43-K118 PolarHBondContact OH-N 2.7Å; I59-K118 HydrophobicContact CD1-CB 3.9Å; R116-K118 PolarHBondContact O-N 2.84Å; K118-N120 VanDerWaalsContact C-N 3.27Å; K118-N120 PolarHBondContact O-N 3.31Å; K118-C121 WeakPolarHBondContact O-CB 3.32Å; K118-C121 PolarHBondContact O-N 3.17Å; K118-F122 HydrophobicContact CG-CD2 4.14Å; K118-F122 HydrophobicContact CG-CE2 4.26Å; K118-F122 WeakPolarHBondContact O-CD2 3.46Å; K118-F122 PolarHBondContact O-N 3.27Å; K118-F122 VanDerWaalsContact O-N 3.15Å
119R97.3Very high97Very high13 Ų1324.2 Ų24.25%0.04911%0.109CC..Hα-helixtrans-56.4-45.4178.1176.7-82.6-168.6-170.9-5.7110.5R116 L117 F122 A123 D238 D242 H245R116-R119 WeakPolarHBondContact O-CB 3.36Å; R116-R119 PolarHBondContact O-N 2.6Å; R116-R119 VanDerWaalsContact O-N 3.1Å; L117-R119 PolarHBondContact O-N 3.31Å; R119-F122 PolarHBondContact O-N 3.4Å; R119-A123 PolarHBondContact O-N 3.24Å; R119-D238 IonicContact CZ-OD1 3.9Å; R119-D238 IonicContact NH1-OD1 2.74Å; R119-D238 PolarHBondContact NH2-O 3.25Å; R119-D238 VanDerWaalsContact NH2-O 3.15Å; R119-D238 IonicContact NH2-OD1 2.75Å; R119-D238 PolarHBondContact NH2-OD1 2.99Å; R119-D242 IonicContact CZ-OD1 2.75Å; R119-D242 IonicContact NE-OD1 3.49Å; R119-D242 PolarHBondContact NE-OD1 2.96Å; R119-D242 IonicContact NH2-OD1 3.88Å; R119-D242 PolarHBondContact NH2-OD1 3.47Å; R119-D242 VanDerWaalsContact NH2-OD1 3.14Å; R119-H245 VanDerWaalsContact CG-CE1 3.46Å; R119-H245 WeakPolarHBondContact CG-CE1 3.39Å
120N96.8Very high97.2Very high6 Ų618.5 Ų18.53%0.0328%0.078CC..Hα-helixtrans-67.9-35.3-178.7-70.4-17000112.3L75 I76 Y80 R116 L117 K118 F122 A123L75-N120 HydrophobicContact CD2-CB 4.35Å; L75-N120 VanDerWaalsContact CD2-O 3.3Å; L75-N120 WeakPolarHBondContact CD2-O 3.28Å; I76-N120 HydrophobicContact CD1-CB 4.1Å; Y80-N120 HydrophobicContact CE2-CB 4.26Å; Y80-N120 PolarHBondContact OH-ND2 3.09Å; R116-N120 PolarHBondContact O-N 2.82Å; L117-N120 PolarHBondContact O-N 3.12Å; L117-N120 VanDerWaalsContact O-N 3.17Å; K118-N120 VanDerWaalsContact C-N 3.27Å; K118-N120 PolarHBondContact O-N 3.31Å; N120-F122 VanDerWaalsContact C-N 3.33Å; N120-F122 PolarHBondContact O-N 2.79Å; N120-A123 WeakPolarHBondContact O-CB 3.41Å; N120-A123 PolarHBondContact O-N 2.62Å
121C97.1Very high97.2Very high0 Ų019.7 Ų19.70%09%0.086CC..Hα-helixtrans-58.1-46.4170.7-64.30000111.4L61 Y64 L67 L117 K118 A123 S124L61-C121 HydrophobicContact CD2-CB 4.39Å; Y64-C121 HydrophobicContact CE2-CB 4.46Å; L67-C121 HydrophobicContact CD1-CB 4.05Å; L117-C121 PolarHBondContact O-N 2.72Å; L117-C121 PolarHBondContact O-SG 3Å; K118-C121 WeakPolarHBondContact O-CB 3.32Å; K118-C121 PolarHBondContact O-N 3.17Å; C121-A123 PolarHBondContact O-N 2.96Å; C121-S124 PolarHBondContact O-OG 3.32Å
122F96.8Very high97.2Very high6 Ų621 Ų213%0.0269%0.093CC..Hα-helixtrans-68.6-29177.3-89.4-81.5000114F63 L67 K118 R119 N120 S124 V125 F126 I145 M153 H245F63-F122 HydrophobicContact CD2-CZ 4.3Å; F63-F122 HydrophobicContact CE2-CD2 4.49Å; F63-F122 AromaticContact CE2-CE1 3.93Å; F63-F122 HydrophobicContact CE2-CE1 3.93Å; F63-F122 AromaticContact CE2-CE2 3.54Å; F63-F122 HydrophobicContact CE2-CE2 3.54Å; F63-F122 AromaticContact CE2-CZ 3.21Å; F63-F122 HydrophobicContact CE2-CZ 3.21Å; F63-F122 HydrophobicContact CZ-CE1 4.48Å; F63-F122 AromaticContact CZ-CE2 3.61Å; F63-F122 HydrophobicContact CZ-CE2 3.61Å; F63-F122 AromaticContact CZ-CZ 3.41Å; F63-F122 HydrophobicContact CZ-CZ 3.41Å; F63-F122 VanDerWaalsContact CZ-CZ 3.41Å; L67-F122 HydrophobicContact CD2-CD1 4.3Å; K118-F122 HydrophobicContact CG-CD2 4.14Å; K118-F122 HydrophobicContact CG-CE2 4.26Å; K118-F122 WeakPolarHBondContact O-CD2 3.46Å; K118-F122 PolarHBondContact O-N 3.27Å; K118-F122 VanDerWaalsContact O-N 3.15Å; R119-F122 PolarHBondContact O-N 3.4Å; N120-F122 VanDerWaalsContact C-N 3.33Å; N120-F122 PolarHBondContact O-N 2.79Å; F122-S124 PolarHBondContact O-N 2.81Å; F122-S124 VanDerWaalsContact O-N 3.14Å; F122-V125 VanDerWaalsContact O-CG1 3.27Å; F122-V125 WeakPolarHBondContact O-CG1 3.37Å; F122-V125 PolarHBondContact O-N 3.26Å; F122-F126 HydrophobicContact CB-CE2 4.28Å; F122-F126 HydrophobicContact CD1-CE2 4.43Å; F122-F126 WeakPolarHBondContact O-CD2 3.49Å; F122-I145 HydrophobicContact CE1-CG2 4.43Å; F122-M153 HydrophobicContact CD1-CE 4.21Å; F122-M153 HydrophobicContact CE1-CE 4.22Å; F122-H245 HydrophobicContact CB-CB 4.29Å; F122-H245 HydrophobicContact CG-CB 4.49Å
123A97.6Very high97.3Very high0 Ų017.7 Ų17.70%08%0.081CC..Hα-helixtrans-58-31.3-17600000112.7L75 R119 N120 C121 V125 F126 E127 I241L75-A123 HydrophobicContact CD1-CB 3.91Å; L75-A123 HydrophobicContact CD2-CB 4.48Å; R119-A123 PolarHBondContact O-N 3.24Å; N120-A123 WeakPolarHBondContact O-CB 3.41Å; N120-A123 PolarHBondContact O-N 2.62Å; C121-A123 PolarHBondContact O-N 2.96Å; A123-V125 PolarHBondContact O-N 2.84Å; A123-F126 PolarHBondContact O-N 2.84Å; A123-F126 VanDerWaalsContact O-N 3.12Å; A123-E127 PolarHBondContact O-N 3.49Å; A123-I241 HydrophobicContact CB-CD1 4.36Å; A123-I241 HydrophobicContact CB-CG2 4.04Å
124S96Very high97.3Very high4 Ų419.4 Ų19.43%0.0289%0.09CC..Hα-helixtrans-55.8-50.6-176.2580000113.2C121 F122 F126 E127 K128C121-S124 PolarHBondContact O-OG 3.32Å; F122-S124 PolarHBondContact O-N 2.81Å; F122-S124 VanDerWaalsContact O-N 3.14Å; S124-F126 VanDerWaalsContact C-N 3.32Å; S124-F126 PolarHBondContact O-N 2.93Å; S124-E127 PolarHBondContact O-N 3.33Å; S124-K128 WeakPolarHBondContact O-CB 3.39Å; S124-K128 PolarHBondContact O-N 2.75Å
125V97.9Very high97.2Very high0 Ų026.4 Ų26.40%012%0.12CC..Hα-helixtrans-64.8-37.5178.864.70000111.2L67 H70 F122 A123 Y129 A143 I145 M153 V155L67-V125 HydrophobicContact CD2-CG1 4.08Å; H70-V125 HydrophobicContact CB-CB 3.94Å; H70-V125 HydrophobicContact CB-CG2 4.04Å; F122-V125 VanDerWaalsContact O-CG1 3.27Å; F122-V125 WeakPolarHBondContact O-CG1 3.37Å; F122-V125 PolarHBondContact O-N 3.26Å; A123-V125 PolarHBondContact O-N 2.84Å; V125-Y129 HydrophobicContact CG2-CD2 4.22Å; V125-Y129 HydrophobicContact CG2-CE2 4.05Å; V125-Y129 WeakPolarHBondContact O-CD2 3.48Å; V125-Y129 PolarHBondContact O-N 3.01Å; V125-A143 HydrophobicContact CG2-CB 3.49Å; V125-A143 VanDerWaalsContact CG2-CB 3.49Å; V125-I145 HydrophobicContact CG1-CG1 4.49Å; V125-I145 HydrophobicContact CG2-CD1 4.31Å; V125-I145 HydrophobicContact CG2-CG1 4.37Å; V125-M153 HydrophobicContact CG1-CE 4.03Å; V125-V155 HydrophobicContact CG2-CB 4.34Å; V125-V155 HydrophobicContact CG2-CG2 4.09Å
126F98.3Very high97Very high0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-71.2-46.6178.4-61.9-66.6000111.9F122 A123 S124 K128 Y129 F130 M153 V155 V164 I241 I244 H245F122-F126 HydrophobicContact CB-CE2 4.28Å; F122-F126 HydrophobicContact CD1-CE2 4.43Å; F122-F126 WeakPolarHBondContact O-CD2 3.49Å; A123-F126 PolarHBondContact O-N 2.84Å; A123-F126 VanDerWaalsContact O-N 3.12Å; S124-F126 VanDerWaalsContact C-N 3.32Å; S124-F126 PolarHBondContact O-N 2.93Å; F126-K128 VanDerWaalsContact C-N 3.32Å; F126-K128 PolarHBondContact O-N 3.4Å; F126-Y129 PolarHBondContact O-N 2.93Å; F126-F130 HydrophobicContact CB-CE1 4.33Å; F126-F130 HydrophobicContact CB-CE2 4.37Å; F126-F130 HydrophobicContact CB-CZ 4.1Å; F126-F130 WeakPolarHBondContact O-CB 3.18Å; F126-F130 WeakPolarHBondContact O-CD1 3.38Å; F126-F130 WeakPolarHBondContact O-CG 3.49Å; F126-F130 PolarHBondContact O-N 3.4Å; F126-M153 HydrophobicContact CE1-CE 4.23Å; F126-M153 HydrophobicContact CE1-SD 3.99Å; F126-M153 HydrophobicContact CE2-CE 4.37Å; F126-M153 HydrophobicContact CZ-CE 3.72Å; F126-M153 HydrophobicContact CZ-SD 3.55Å; F126-M153 VanDerWaalsContact CZ-SD 3.55Å; F126-V155 HydrophobicContact CE1-CG2 4.25Å; F126-V164 HydrophobicContact CD1-CG2 4.39Å; F126-V164 HydrophobicContact CE1-CG1 4.09Å; F126-V164 HydrophobicContact CE1-CG2 4.1Å; F126-I241 HydrophobicContact CB-CD1 3.89Å; F126-I241 HydrophobicContact CB-CG1 3.65Å; F126-I241 HydrophobicContact CD2-CG1 4.28Å; F126-I241 HydrophobicContact CD2-CG2 4.13Å; F126-I241 HydrophobicContact CG-CG1 4.18Å; F126-I244 HydrophobicContact CD1-CG2 4.1Å; F126-I244 HydrophobicContact CD2-CG2 4.43Å; F126-I244 HydrophobicContact CE1-CG1 4.48Å; F126-I244 HydrophobicContact CE1-CG2 3.74Å; F126-I244 HydrophobicContact CE2-CG2 4.1Å; F126-I244 HydrophobicContact CG-CG2 4.43Å; F126-I244 HydrophobicContact CZ-CG2 3.74Å; F126-H245 HydrophobicContact CE2-CB 3.98Å; F126-H245 HydrophobicContact CZ-CB 4.49Å
127E97.5Very high96.8Very high26 Ų2629 Ų2912%0.12115%0.148CC..Hα-helixtrans-56.9-45.3178.1-77.1-168.8-155.900111.7L75 R78 A123 S124 Y129 F130 V131 I241L75-E127 HydrophobicContact CD1-CG 4.33Å; L75-E127 WeakPolarHBondContact CD1-OE1 3.4Å; R78-E127 IonicContact CZ-OE1 3.47Å; R78-E127 IonicContact CZ-OE2 3.33Å; R78-E127 IonicContact NH1-OE1 2.77Å; R78-E127 IonicContact NH1-OE2 2.69Å; R78-E127 PolarHBondContact NH1-OE2 2.69Å; R78-E127 IonicContact NH2-OE1 3.25Å; R78-E127 PolarHBondContact NH2-OE1 3.08Å; R78-E127 IonicContact NH2-OE2 3.14Å; R78-E127 PolarHBondContact NH2-OE2 2.74Å; A123-E127 PolarHBondContact O-N 3.49Å; S124-E127 PolarHBondContact O-N 3.33Å; E127-Y129 VanDerWaalsContact C-N 3.32Å; E127-Y129 PolarHBondContact O-N 3.15Å; E127-F130 PolarHBondContact O-N 3.14Å; E127-V131 WeakPolarHBondContact O-CG2 3.34Å; E127-V131 PolarHBondContact O-N 3.38Å; E127-I241 HydrophobicContact CG-CD1 4.02Å
128K97.1Very high96.4Very high87 Ų8734.7 Ų34.738%0.37818%0.175SC..Hα-helixtrans-53.9-49.1177.5-179.9176.2-179.7168.60111.5E69 H70 S124 F126 V131 L132E69-K128 PolarHBondContact O-NZ 3.35Å; H70-K128 HydrophobicContact CB-CD 3.9Å; H70-K128 PolarHBondContact ND1-NZ 2.89Å; S124-K128 WeakPolarHBondContact O-CB 3.39Å; S124-K128 PolarHBondContact O-N 2.75Å; F126-K128 VanDerWaalsContact C-N 3.32Å; F126-K128 PolarHBondContact O-N 3.4Å; K128-V131 PolarHBondContact O-N 3.17Å; K128-L132 HydrophobicContact CG-CD1 4.47Å; K128-L132 WeakPolarHBondContact O-CG 3.48Å; K128-L132 PolarHBondContact O-N 2.97Å
129Y98Very high96Very high2 Ų238.4 Ų38.41%0.00822%0.215CC..Hα-helixtrans-78.3-27.9-175.9-75.7-102.3000113.1H70 V125 F126 E127 V131 L132 Q133 K141 A143 V155 A157H70-Y129 PolarHBondContact CE1-OH 2.77Å; H70-Y129 AromaticContact ND1-CE2 3.72Å; V125-Y129 HydrophobicContact CG2-CD2 4.22Å; V125-Y129 HydrophobicContact CG2-CE2 4.05Å; V125-Y129 WeakPolarHBondContact O-CD2 3.48Å; V125-Y129 PolarHBondContact O-N 3.01Å; F126-Y129 PolarHBondContact O-N 2.93Å; E127-Y129 VanDerWaalsContact C-N 3.32Å; E127-Y129 PolarHBondContact O-N 3.15Å; Y129-V131 VanDerWaalsContact C-N 3.34Å; Y129-L132 HydrophobicContact CD1-CD1 4.19Å; Y129-L132 HydrophobicContact CE1-CD1 4.36Å; Y129-L132 HydrophobicContact CG-CD1 4.4Å; Y129-L132 PolarHBondContact O-N 3.23Å; Y129-Q133 PolarHBondContact O-N 3.37Å; Y129-K141 PolarHBondContact OH-O 3.19Å; Y129-A143 HydrophobicContact CE2-CB 3.67Å; Y129-A143 WeakPolarHBondContact OH-CA 3.16Å; Y129-A143 WeakPolarHBondContact OH-CB 3.32Å; Y129-A143 PolarHBondContact OH-N 3.08Å; Y129-V155 HydrophobicContact CD1-CB 4.49Å; Y129-V155 HydrophobicContact CD1-CG1 3.97Å; Y129-V155 HydrophobicContact CD2-CB 4.4Å; Y129-V155 HydrophobicContact CD2-CG1 4.01Å; Y129-V155 WeakPolarHBondContact CE1-O 3.44Å; Y129-V155 HydrophobicContact CG-CB 4.33Å; Y129-V155 HydrophobicContact CG-CG1 3.6Å; Y129-A157 HydrophobicContact CD1-CB 3.9Å
130F98Very high95.7Very high0 Ų039.6 Ų39.60%023%0.225CC..Hα-helixtrans-65.5-42171.5-67.33.4000110.3F126 E127 Q133 E134 V162 L227 T232 R237 T240 I241F126-F130 HydrophobicContact CB-CE1 4.33Å; F126-F130 HydrophobicContact CB-CE2 4.37Å; F126-F130 HydrophobicContact CB-CZ 4.1Å; F126-F130 WeakPolarHBondContact O-CB 3.18Å; F126-F130 WeakPolarHBondContact O-CD1 3.38Å; F126-F130 WeakPolarHBondContact O-CG 3.49Å; F126-F130 PolarHBondContact O-N 3.4Å; E127-F130 PolarHBondContact O-N 3.14Å; F130-Q133 PolarHBondContact O-N 3.1Å; F130-E134 WeakPolarHBondContact O-CB 3.28Å; F130-E134 PolarHBondContact O-N 3.33Å; F130-V162 HydrophobicContact CD1-CB 4.32Å; F130-V162 HydrophobicContact CD1-CG1 4.14Å; F130-V162 HydrophobicContact CD1-CG2 4.01Å; F130-V162 HydrophobicContact CE1-CB 4.4Å; F130-V162 HydrophobicContact CE1-CG1 4.08Å; F130-L227 HydrophobicContact CE1-CD1 3.81Å; F130-L227 HydrophobicContact CZ-CD1 3.9Å; F130-T232 HydrophobicContact CD1-CG2 3.58Å; F130-T232 HydrophobicContact CD2-CG2 4.3Å; F130-T232 HydrophobicContact CE1-CG2 3.74Å; F130-T232 HydrophobicContact CE2-CG2 4.43Å; F130-T232 HydrophobicContact CG-CG2 3.88Å; F130-T232 HydrophobicContact CZ-CG2 4.17Å; F130-R237 HydrophobicContact CD2-CB 3.75Å; F130-R237 HydrophobicContact CE2-CB 3.97Å; F130-T240 HydrophobicContact CE2-CG2 4.3Å; F130-T240 HydrophobicContact CZ-CG2 3.95Å; F130-I241 HydrophobicContact CE2-CD1 4.23Å; F130-I241 HydrophobicContact CE2-CG1 3.94Å; F130-I241 HydrophobicContact CZ-CG1 4.4Å
131V96.7Very high95.5Very high43 Ų4347.3 Ų47.326%0.26126%0.258SS..Hα-helixtrans-66.8-38.4175.4171.90000112E127 K128 Y129 E134 K135E127-V131 WeakPolarHBondContact O-CG2 3.34Å; E127-V131 PolarHBondContact O-N 3.38Å; K128-V131 PolarHBondContact O-N 3.17Å; Y129-V131 VanDerWaalsContact C-N 3.34Å; V131-E134 PolarHBondContact O-N 2.84Å; V131-K135 HydrophobicContact CG1-CD 3.97Å; V131-K135 HydrophobicContact CG1-CG 4.44Å; V131-K135 WeakPolarHBondContact O-CB 3.27Å; V131-K135 WeakPolarHBondContact O-CG 3.39Å; V131-K135 PolarHBondContact O-N 2.93Å
132L96.9Very high95.4Very high26 Ų2649.6 Ų49.614%0.13627%0.267CS..Hα-helixtrans-60.4-45.7174.5-72.1171.8000111.4K128 Y129 K135 G136 I137 A157K128-L132 HydrophobicContact CG-CD1 4.47Å; K128-L132 WeakPolarHBondContact O-CG 3.48Å; K128-L132 PolarHBondContact O-N 2.97Å; Y129-L132 HydrophobicContact CD1-CD1 4.19Å; Y129-L132 HydrophobicContact CE1-CD1 4.36Å; Y129-L132 HydrophobicContact CG-CD1 4.4Å; Y129-L132 PolarHBondContact O-N 3.23Å; L132-K135 PolarHBondContact O-N 2.99Å; L132-G136 PolarHBondContact O-N 3Å; L132-I137 HydrophobicContact CD2-CB 3.97Å; L132-I137 HydrophobicContact CD2-CD1 4.04Å; L132-I137 HydrophobicContact CD2-CG2 3.93Å; L132-I137 PolarHBondContact O-N 3.43Å; L132-A157 HydrophobicContact CB-CB 3.97Å
133Q97.4Very high95.4Very high16 Ų1649.3 Ų49.38%0.07527%0.266CS..Hα-helixtrans-63.6-45.4175.9-178.3-83.7-58.900111.7Y129 F130 K135 G136 A157 K158 A159 V162 T232Y129-Q133 PolarHBondContact O-N 3.37Å; F130-Q133 PolarHBondContact O-N 3.1Å; Q133-K135 VanDerWaalsContact C-N 3.25Å; Q133-K135 PolarHBondContact O-N 3.19Å; Q133-G136 PolarHBondContact O-N 2.81Å; Q133-A157 HydrophobicContact CB-CB 4.31Å; Q133-K158 VanDerWaalsContact CG-O 3.27Å; Q133-K158 WeakPolarHBondContact CG-O 3.14Å; Q133-A159 PolarHBondContact NE2-O 3.06Å; Q133-A159 VanDerWaalsContact NE2-O 3.08Å; Q133-V162 HydrophobicContact CB-CG2 3.51Å; Q133-V162 HydrophobicContact CG-CG2 3.89Å; Q133-T232 PolarHBondContact OE1-OG1 2.65Å
134E96Very high95.3Very high109 Ų10951.3 Ų51.351%0.50928%0.278SS..Hα-helixtrans-58.8-36.6178.1-177.5172.4-164.300112.2F130 V131 G136 R237F130-E134 WeakPolarHBondContact O-CB 3.28Å; F130-E134 PolarHBondContact O-N 3.33Å; V131-E134 PolarHBondContact O-N 2.84Å; E134-G136 VanDerWaalsContact C-N 3.32Å; E134-R237 IonicContact OE2-NH2 2.96Å; E134-R237 PolarHBondContact OE2-NH2 3.47Å
135K95.6Very high95.4Very high147 Ų14751.1 Ų51.164%0.63928%0.277SS*.THydrogen-bonded Turntrans-83.6-3.2176.4-68.4178.4178.8178.40114.1V131 L132 Q133 I137V131-K135 HydrophobicContact CG1-CD 3.97Å; V131-K135 HydrophobicContact CG1-CG 4.44Å; V131-K135 WeakPolarHBondContact O-CB 3.27Å; V131-K135 WeakPolarHBondContact O-CG 3.39Å; V131-K135 PolarHBondContact O-N 2.93Å; L132-K135 PolarHBondContact O-N 2.99Å; Q133-K135 VanDerWaalsContact C-N 3.25Å; Q133-K135 PolarHBondContact O-N 3.19Å; K135-I137 VanDerWaalsContact C-N 3.25Å; K135-I137 HydrophobicContact CB-CD1 3.82Å; K135-I137 HydrophobicContact CB-CG1 3.84Å; K135-I137 HydrophobicContact CD-CD1 4.02Å; K135-I137 PolarHBondContact O-N 3.43Å
136G93.6Very high95.3Very high43 Ų4354.9 Ų54.944%0.44329%0.294SS..THydrogen-bonded Turntrans65.525.2-175.700000114L132 Q133 E134 E138L132-G136 PolarHBondContact O-N 3Å; Q133-G136 PolarHBondContact O-N 2.81Å; E134-G136 VanDerWaalsContact C-N 3.32Å; G136-E138 PolarHBondContact O-N 2.95Å
137I93.4Very high95.2Very high75 Ų7555.2 Ų55.239%0.38530%0.295SS..  trans-83.7108-179.9-60.2171.2000108.8L132 K135L132-I137 HydrophobicContact CD2-CB 3.97Å; L132-I137 HydrophobicContact CD2-CD1 4.04Å; L132-I137 HydrophobicContact CD2-CG2 3.93Å; L132-I137 PolarHBondContact O-N 3.43Å; K135-I137 VanDerWaalsContact C-N 3.25Å; K135-I137 HydrophobicContact CB-CD1 3.82Å; K135-I137 HydrophobicContact CB-CG1 3.84Å; K135-I137 HydrophobicContact CD-CD1 4.02Å; K135-I137 PolarHBondContact O-N 3.43Å
138E90.1Very high95.2Very high120 Ų12055.9 Ų55.956%0.56130%0.297SS*.  trans-96.7166.7175.6-59.1-163.3151.900112.4G136 S140 A159G136-E138 PolarHBondContact O-N 2.95Å; E138-S140 PolarHBondContact O-N 2.88Å; E138-A159 HydrophobicContact CG-CB 4.07Å; E138-A159 WeakPolarHBondContact OE1-CB 3.27Å; E138-A159 PolarHBondContact OE1-N 3.38Å
139G87.8Confident94.9Very high83 Ų8358.6 Ų58.686%0.85631%0.311SS*.SBendtrans74.68.3174.900000115.1
140S91.3Very high94.7Very high39 Ų3960.3 Ų60.327%0.27332%0.32SS..PPolyproline II helixtrans-63.4138.8171.8-67.30000110.5E138 R142E138-S140 PolarHBondContact O-N 2.88Å; S140-R142 PolarHBondContact O-N 3.48Å
141K92.4Very high94.6Very high167 Ų16760.4 Ų60.473%0.72632%0.321SS*.PPolyproline II helixtrans-53.8127172.6-176.7-170.5176.4-166.80108.6Y129Y129-K141 PolarHBondContact OH-O 3.19Å
142R94.7Very high94.6Very high48 Ų4859.1 Ų59.118%0.18131%0.313CS..PPolyproline II helixtrans-60.9152.6175.266.5178.157.2151-1.4112.4S140 V144 V155 E156 E208S140-R142 PolarHBondContact O-N 3.48Å; R142-V144 HydrophobicContact CG-CG2 4.32Å; R142-V155 CarbonylContact C-O 3.42Å; R142-V155 WeakPolarHBondContact CA-O 3.29Å; R142-V155 WeakPolarHBondContact CB-O 3.45Å; R142-E156 HydrophobicContact CB-CB 4.16Å; R142-E156 HydrophobicContact CB-CG 4.38Å; R142-E156 IonicContact CZ-OE2 2.86Å; R142-E156 VanDerWaalsContact CZ-OE2 3.28Å; R142-E156 IonicContact NE-OE2 3.53Å; R142-E156 PolarHBondContact NE-OE2 3.17Å; R142-E156 IonicContact NH2-OE2 3.86Å; R142-E156 PolarHBondContact NH2-OE2 3.25Å; R142-E208 VanDerWaalsContact CZ-O 3.25Å; R142-E208 PolarHBondContact NH1-O 3.44Å; R142-E208 PolarHBondContact NH2-O 2.99Å
143A96.8Very high94.6Very high0 Ų058 Ų580%031%0.307CS..EExtended strand (participates in β ladder)trans-83.5142.9171.900000108.6H70 V125 Y129 I145 Y154 V155H70-A143 VanDerWaalsContact CE1-CB 3.47Å; H70-A143 WeakPolarHBondContact CE1-CB 3.41Å; H70-A143 WeakPolarHBondContact NE2-CA 3.27Å; H70-A143 VanDerWaalsContact NE2-CB 3.26Å; H70-A143 WeakPolarHBondContact NE2-CB 3.34Å; V125-A143 HydrophobicContact CG2-CB 3.49Å; V125-A143 VanDerWaalsContact CG2-CB 3.49Å; Y129-A143 HydrophobicContact CE2-CB 3.67Å; Y129-A143 WeakPolarHBondContact OH-CA 3.16Å; Y129-A143 WeakPolarHBondContact OH-CB 3.32Å; Y129-A143 PolarHBondContact OH-N 3.08Å; A143-I145 HydrophobicContact CB-CD1 4.42Å; A143-Y154 VanDerWaalsContact O-CA 3.26Å; A143-Y154 WeakPolarHBondContact O-CA 3.41Å; A143-V155 HydrophobicContact CB-CB 4.01Å; A143-V155 HydrophobicContact CB-CG2 4.44Å; A143-V155 PolarHBondContact N-O 2.91Å; A143-V155 PolarHBondContact O-N 3.46Å; A143-V155 VanDerWaalsContact O-N 3.09Å
144V96.7Very high94.6Very high43 Ų4357.4 Ų57.426%0.26130%0.304SS..EExtended strand (participates in β ladder)trans-131.3108.2174.3-172.30000106.5R142 T152 Y154R142-V144 HydrophobicContact CG-CG2 4.32Å; V144-T152 HydrophobicContact CG1-CG2 3.47Å; V144-T152 VanDerWaalsContact CG1-CG2 3.47Å; V144-Y154 HydrophobicContact CB-CD1 4.48Å; V144-Y154 HydrophobicContact CG1-CD1 4.14Å; V144-Y154 HydrophobicContact CG1-CE1 3.79Å; V144-Y154 HydrophobicContact CG2-CD1 3.96Å; V144-Y154 HydrophobicContact CG2-CE1 4.15Å
145I97.2Very high94.7Very high0 Ų052.2 Ų52.20%028%0.28CS..EExtended strand (participates in β ladder)trans-114.2114-176.6-47.5-57.4000108.9F63 D66 L67 F122 V125 A143 Y147 T152 M153F63-I145 HydrophobicContact CD2-CG2 3.84Å; F63-I145 HydrophobicContact CG-CG2 4.45Å; D66-I145 HydrophobicContact CB-CD1 3.77Å; D66-I145 HydrophobicContact CB-CG2 4.33Å; L67-I145 HydrophobicContact CD2-CD1 4.06Å; L67-I145 HydrophobicContact CD2-CG1 4.33Å; L67-I145 HydrophobicContact CD2-CG2 3.96Å; L67-I145 HydrophobicContact CG-CG2 4.48Å; F122-I145 HydrophobicContact CE1-CG2 4.43Å; V125-I145 HydrophobicContact CG1-CG1 4.49Å; V125-I145 HydrophobicContact CG2-CD1 4.31Å; V125-I145 HydrophobicContact CG2-CG1 4.37Å; A143-I145 HydrophobicContact CB-CD1 4.42Å; I145-Y147 PolarHBondContact O-N 2.91Å; I145-T152 WeakPolarHBondContact O-CA 3.49Å; I145-M153 HydrophobicContact CB-CB 4.38Å; I145-M153 HydrophobicContact CB-CE 4.06Å; I145-M153 HydrophobicContact CG1-CE 3.83Å; I145-M153 PolarHBondContact N-O 2.8Å; I145-M153 PolarHBondContact O-N 2.82Å
146H96.7Very high94.7Very high79 Ų7947.3 Ų47.337%0.36626%0.259SS..EExtended strand (participates in β ladder)trans-83.866.1178.7-5987.2000110.7F63 D66 R148F63-H146 VanDerWaalsContact CB-O 3.3Å; F63-H146 WeakPolarHBondContact CB-O 3.17Å; D66-H146 IonicContact OD2-CG 3.7Å; D66-H146 PolarHBondContact OD2-N 2.98Å; D66-H146 IonicContact OD2-ND1 3.4Å; D66-H146 PolarHBondContact OD2-ND1 3.2Å; H146-R148 PolarHBondContact O-N 3.42Å
147Y96.4Very high94.9Very high6 Ų645.5 Ų45.52%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-62.8-15-172.868.7-89.9000113.5F63 I145 E151 T152 M153 F166 R248F63-Y147 VanDerWaalsContact CD1-CA 3.47Å; F63-Y147 WeakPolarHBondContact CD1-O 3.45Å; F63-Y147 WeakPolarHBondContact CE1-O 3.3Å; I145-Y147 PolarHBondContact O-N 2.91Å; Y147-E151 HydrophobicContact CE1-CB 4.08Å; Y147-E151 HydrophobicContact CE2-CB 3.82Å; Y147-E151 WeakPolarHBondContact CE2-OE2 3.2Å; Y147-E151 WeakPolarHBondContact OH-CB 3.47Å; Y147-E151 PolarHBondContact OH-OE2 3.48Å; Y147-T152 VanDerWaalsContact CE1-C 3.45Å; Y147-M153 HydrophobicContact CD1-CB 3.65Å; Y147-M153 HydrophobicContact CE1-CB 3.83Å; Y147-F166 HydrophobicContact CE1-CD1 4.02Å; Y147-R248 HydrophobicContact CE2-CB 4.36Å; Y147-R248 HydrophobicContact CE2-CG 3.9Å
148R95.8Very high94.9Very high40 Ų4045.7 Ų45.715%0.15124%0.238CC..EExtended strand (participates in β ladder)trans-139.7168.3163.7-56178.665.878.115.9109.6D39 N40 H146 D150 E151 R248D39-R148 VanDerWaalsContact CA-NH1 3.31Å; D39-R148 HydrophobicContact CB-CG 4.47Å; D39-R148 IonicContact OD1-NH1 2.68Å; N40-R148 PolarHBondContact OD1-NH1 3.09Å; N40-R148 PolarHBondContact OD1-NH2 3.3Å; H146-R148 PolarHBondContact O-N 3.42Å; R148-D150 PolarHBondContact O-N 3.5Å; R148-E151 HydrophobicContact CB-CB 4Å; R148-E151 HydrophobicContact CB-CG 4.29Å; R148-E151 WeakPolarHBondContact CD-OE1 3.34Å; R148-E151 HydrophobicContact CG-CB 4.47Å; R148-E151 PolarHBondContact N-O 3.27Å; R148-E151 IonicContact NE-OE1 3.14Å; R148-E151 PolarHBondContact O-N 3.28Å; R148-R248 VanDerWaalsContact CD-CZ 3.43Å
149E91.5Very high95Very high144 Ų14442 Ų4267%0.67323%0.228SC*.THydrogen-bonded Turntrans-59.6-29.4179.9-71.1171-169.200113.5K62K62-E149 IonicContact NZ-OE1 2.91Å; K62-E149 PolarHBondContact NZ-OE1 2.93Å
150D93.5Very high95.3Very high38 Ų3841.7 Ų41.720%0.20321%0.207CC..THydrogen-bonded Turntrans-121.27.4-175.562.3-36000114.1R148 T169 R215R148-D150 PolarHBondContact O-N 3.5Å; D150-T169 HydrophobicContact CB-CG2 4.22Å; D150-T169 WeakPolarHBondContact O-CG2 3.37Å; D150-T169 PolarHBondContact OD2-OG1 3.26Å; D150-R215 VanDerWaalsContact CB-NH1 3.32Å
151E96.2Very high95.5Very high2 Ų243.5 Ų43.51%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-133.6143-177.5-57-173.5-146.800111.1Y147 R148 S167 T168 T169 R248Y147-E151 HydrophobicContact CE1-CB 4.08Å; Y147-E151 HydrophobicContact CE2-CB 3.82Å; Y147-E151 WeakPolarHBondContact CE2-OE2 3.2Å; Y147-E151 WeakPolarHBondContact OH-CB 3.47Å; Y147-E151 PolarHBondContact OH-OE2 3.48Å; R148-E151 HydrophobicContact CB-CB 4Å; R148-E151 HydrophobicContact CB-CG 4.29Å; R148-E151 WeakPolarHBondContact CD-OE1 3.34Å; R148-E151 HydrophobicContact CG-CB 4.47Å; R148-E151 PolarHBondContact N-O 3.27Å; R148-E151 IonicContact NE-OE1 3.14Å; R148-E151 PolarHBondContact O-N 3.28Å; E151-S167 VanDerWaalsContact CA-O 3.26Å; E151-S167 WeakPolarHBondContact CA-O 3.33Å; E151-S167 VanDerWaalsContact CB-O 3.24Å; E151-S167 WeakPolarHBondContact CB-O 3.26Å; E151-T168 VanDerWaalsContact CD-OG1 3.26Å; E151-T168 WeakPolarHBondContact OE2-CB 3.26Å; E151-T168 PolarHBondContact OE2-OG1 2.88Å; E151-T169 HydrophobicContact CG-CG2 4.31Å; E151-R248 IonicContact OE1-CZ 3.1Å; E151-R248 VanDerWaalsContact OE1-CZ 3.29Å; E151-R248 IonicContact OE1-NE 2.96Å; E151-R248 PolarHBondContact OE1-NE 2.88Å; E151-R248 VanDerWaalsContact OE1-NE 3.14Å; E151-R248 IonicContact OE1-NH2 2.65Å; E151-R248 PolarHBondContact OE1-NH2 2.75Å; E151-R248 WeakPolarHBondContact OE2-CG 3.47Å; E151-R248 IonicContact OE2-CZ 3.72Å; E151-R248 IonicContact OE2-NE 2.67Å; E151-R248 PolarHBondContact OE2-NE 3.08Å; E151-R248 IonicContact OE2-NH2 3.29Å
152T96.8Very high95.8Very high17 Ų1735.6 Ų35.610%0.10417%0.173CC..EExtended strand (participates in β ladder)trans-134.9139.4-172.7-48.30000110.7V144 I145 Y147 Y154 S167V144-T152 HydrophobicContact CG1-CG2 3.47Å; V144-T152 VanDerWaalsContact CG1-CG2 3.47Å; I145-T152 WeakPolarHBondContact O-CA 3.49Å; Y147-T152 VanDerWaalsContact CE1-C 3.45Å; T152-Y154 HydrophobicContact CG2-CD2 4.37Å; T152-Y154 HydrophobicContact CG2-CE1 3.96Å; T152-Y154 HydrophobicContact CG2-CE2 3.76Å; T152-S167 PolarHBondContact N-O 2.9Å; T152-S167 WeakPolarHBondContact O-CB 3.48Å; T152-S167 PolarHBondContact O-N 2.98Å
153M97.6Very high95.9Very high1 Ų134.3 Ų34.31%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-110.3128.7172.5-179.3-17970.800109.5F122 V125 F126 I145 Y147 V155 V164 I165 F166F122-M153 HydrophobicContact CD1-CE 4.21Å; F122-M153 HydrophobicContact CE1-CE 4.22Å; V125-M153 HydrophobicContact CG1-CE 4.03Å; F126-M153 HydrophobicContact CE1-CE 4.23Å; F126-M153 HydrophobicContact CE1-SD 3.99Å; F126-M153 HydrophobicContact CE2-CE 4.37Å; F126-M153 HydrophobicContact CZ-CE 3.72Å; F126-M153 HydrophobicContact CZ-SD 3.55Å; F126-M153 VanDerWaalsContact CZ-SD 3.55Å; I145-M153 HydrophobicContact CB-CB 4.38Å; I145-M153 HydrophobicContact CB-CE 4.06Å; I145-M153 HydrophobicContact CG1-CE 3.83Å; I145-M153 PolarHBondContact N-O 2.8Å; I145-M153 PolarHBondContact O-N 2.82Å; Y147-M153 HydrophobicContact CD1-CB 3.65Å; Y147-M153 HydrophobicContact CE1-CB 3.83Å; M153-V155 HydrophobicContact CE-CG2 4.16Å; M153-V155 HydrophobicContact CG-CG2 4.33Å; M153-V164 HydrophobicContact CG-CG1 4.08Å; M153-V164 HydrophobicContact SD-CG1 4.13Å; M153-I165 CarbonylContact C-O 3.55Å; M153-I165 WeakPolarHBondContact CA-O 3.3Å; M153-F166 HydrophobicContact CB-CD1 4.24Å; M153-F166 HydrophobicContact CB-CE1 4.28Å; M153-F166 HydrophobicContact CG-CD1 4.12Å; M153-F166 HydrophobicContact CG-CE1 3.87Å; M153-F166 HydrophobicContact CG-CZ 4.32Å; M153-F166 HydrophobicContact SD-CD1 4.38Å; M153-F166 HydrophobicContact SD-CE1 3.54Å; M153-F166 VanDerWaalsContact SD-CE1 3.54Å; M153-F166 HydrophobicContact SD-CZ 3.79Å
154Y97.4Very high96Very high5 Ų534.3 Ų34.32%0.0217%0.171CC..EExtended strand (participates in β ladder)trans-109.9132.9176.3-51.7-95.6000109.5A143 V144 T152 V164 I165 L209 Y222A143-Y154 VanDerWaalsContact O-CA 3.26Å; A143-Y154 WeakPolarHBondContact O-CA 3.41Å; V144-Y154 HydrophobicContact CB-CD1 4.48Å; V144-Y154 HydrophobicContact CG1-CD1 4.14Å; V144-Y154 HydrophobicContact CG1-CE1 3.79Å; V144-Y154 HydrophobicContact CG2-CD1 3.96Å; V144-Y154 HydrophobicContact CG2-CE1 4.15Å; T152-Y154 HydrophobicContact CG2-CD2 4.37Å; T152-Y154 HydrophobicContact CG2-CE1 3.96Å; T152-Y154 HydrophobicContact CG2-CE2 3.76Å; Y154-V164 CarbonylContact O-C 3.54Å; Y154-V164 WeakPolarHBondContact O-CA 3.24Å; Y154-I165 HydrophobicContact CD2-CB 4.27Å; Y154-I165 HydrophobicContact CD2-CG2 4.47Å; Y154-I165 PolarHBondContact N-O 3.23Å; Y154-I165 PolarHBondContact O-N 3.18Å; Y154-L209 HydrophobicContact CD1-CD1 4.36Å; Y154-L209 HydrophobicContact CD1-CD2 3.82Å; Y154-L209 HydrophobicContact CD2-CD1 3.53Å; Y154-L209 HydrophobicContact CD2-CD2 4.36Å; Y154-L209 HydrophobicContact CE1-CD1 4.47Å; Y154-L209 HydrophobicContact CE1-CD2 4.28Å; Y154-L209 HydrophobicContact CE2-CD1 3.66Å; Y154-L209 HydrophobicContact CG-CD1 3.91Å; Y154-L209 HydrophobicContact CG-CD2 3.87Å; Y154-Y222 HydrophobicContact CE2-CE1 4.5Å
155V97.5Very high96Very high0 Ų032.7 Ų32.70%016%0.161CC..EExtended strand (participates in β ladder)trans-125127.5175.4-169.20000109.1V125 F126 Y129 R142 A143 M153 V162 T163 V164V125-V155 HydrophobicContact CG2-CB 4.34Å; V125-V155 HydrophobicContact CG2-CG2 4.09Å; F126-V155 HydrophobicContact CE1-CG2 4.25Å; Y129-V155 HydrophobicContact CD1-CB 4.49Å; Y129-V155 HydrophobicContact CD1-CG1 3.97Å; Y129-V155 HydrophobicContact CD2-CB 4.4Å; Y129-V155 HydrophobicContact CD2-CG1 4.01Å; Y129-V155 WeakPolarHBondContact CE1-O 3.44Å; Y129-V155 HydrophobicContact CG-CB 4.33Å; Y129-V155 HydrophobicContact CG-CG1 3.6Å; R142-V155 CarbonylContact C-O 3.42Å; R142-V155 WeakPolarHBondContact CA-O 3.29Å; R142-V155 WeakPolarHBondContact CB-O 3.45Å; A143-V155 HydrophobicContact CB-CB 4.01Å; A143-V155 HydrophobicContact CB-CG2 4.44Å; A143-V155 PolarHBondContact N-O 2.91Å; A143-V155 PolarHBondContact O-N 3.46Å; A143-V155 VanDerWaalsContact O-N 3.09Å; M153-V155 HydrophobicContact CE-CG2 4.16Å; M153-V155 HydrophobicContact CG-CG2 4.33Å; V155-V162 HydrophobicContact CG1-CG1 4.05Å; V155-T163 WeakPolarHBondContact CA-O 3.32Å; V155-V164 HydrophobicContact CG1-CG2 4.31Å; V155-V164 HydrophobicContact CG2-CG1 4.48Å
156E95.9Very high96Very high43 Ų4333 Ų3320%0.20116%0.162CC..EExtended strand (participates in β ladder)trans-139.1141.5180-171.9175.114600109.9R142 V162 T163R142-E156 HydrophobicContact CB-CB 4.16Å; R142-E156 HydrophobicContact CB-CG 4.38Å; R142-E156 IonicContact CZ-OE2 2.86Å; R142-E156 VanDerWaalsContact CZ-OE2 3.28Å; R142-E156 IonicContact NE-OE2 3.53Å; R142-E156 PolarHBondContact NE-OE2 3.17Å; R142-E156 IonicContact NH2-OE2 3.86Å; R142-E156 PolarHBondContact NH2-OE2 3.25Å; E156-V162 WeakPolarHBondContact O-CA 3.3Å; E156-T163 PolarHBondContact N-O 2.99Å; E156-T163 PolarHBondContact O-N 3.46Å; E156-T163 PolarHBondContact O-OG1 3.19Å
157A96.7Very high96Very high5 Ų529.2 Ų29.24%0.04115%0.145CC..EExtended strand (participates in β ladder)trans-112.8135.8179.100000109.8Y129 L132 Q133 V162Y129-A157 HydrophobicContact CD1-CB 3.9Å; L132-A157 HydrophobicContact CB-CB 3.97Å; Q133-A157 HydrophobicContact CB-CB 4.31Å; A157-V162 HydrophobicContact CB-CG2 4.34Å
158K94.4Very high96Very high79 Ų7929 Ų2934%0.34314%0.144SC..  trans-119.3171.8166.8-61-173.4177.3-177.10108.1Q133 D160 R161Q133-K158 VanDerWaalsContact CG-O 3.27Å; Q133-K158 WeakPolarHBondContact CG-O 3.14Å; K158-D160 VanDerWaalsContact C-N 3.27Å; K158-D160 PolarHBondContact O-N 2.92Å; K158-R161 HydrophobicContact CB-CG 4.2Å; K158-R161 PolarHBondContact N-O 3.41Å; K158-R161 VanDerWaalsContact O-O 3.06Å
159A91.1Very high95.9Very high43 Ų4327.6 Ų27.636%0.35514%0.14SC..SBendtrans-60.7-36.4-178.200000113.1Q133 E138Q133-A159 PolarHBondContact NE2-O 3.06Å; Q133-A159 VanDerWaalsContact NE2-O 3.08Å; E138-A159 HydrophobicContact CG-CB 4.07Å; E138-A159 WeakPolarHBondContact OE1-CB 3.27Å; E138-A159 PolarHBondContact OE1-N 3.38Å
160D95.1Very high96.1Very high76 Ų7620.9 Ų20.941%0.40611%0.108SC..SBendtrans-100.2-10.2-172.975-36.5000114.6K158 P229K158-D160 VanDerWaalsContact C-N 3.27Å; K158-D160 PolarHBondContact O-N 2.92Å; D160-P229 WeakPolarHBondContact O-CD 3.29Å
161R96.2Very high96Very high78 Ų7827.5 Ų27.529%0.29414%0.135SC..  trans-160.7158.6-172.468.7-167.764.9-155.80.6113K158 T163 V226 L227 L228K158-R161 HydrophobicContact CB-CG 4.2Å; K158-R161 PolarHBondContact N-O 3.41Å; K158-R161 VanDerWaalsContact O-O 3.06Å; R161-T163 HydrophobicContact CG-CG2 4.45Å; R161-V226 HydrophobicContact CB-CG1 3.95Å; R161-V226 HydrophobicContact CG-CG1 4.25Å; R161-L227 CarbonylContact C-O 3.59Å; R161-L227 VanDerWaalsContact CA-O 3.23Å; R161-L227 WeakPolarHBondContact CA-O 3.44Å; R161-L227 WeakPolarHBondContact CB-O 3.37Å; R161-L228 HydrophobicContact CB-CD2 4.22Å
162V97.8Very high95.9Very high0 Ų030.5 Ų30.50%015%0.151CC..EExtended strand (participates in β ladder)trans-112.3129.11641790000108.5F130 Q133 V155 E156 A157 V164 L227 T232F130-V162 HydrophobicContact CD1-CB 4.32Å; F130-V162 HydrophobicContact CD1-CG1 4.14Å; F130-V162 HydrophobicContact CD1-CG2 4.01Å; F130-V162 HydrophobicContact CE1-CB 4.4Å; F130-V162 HydrophobicContact CE1-CG1 4.08Å; Q133-V162 HydrophobicContact CB-CG2 3.51Å; Q133-V162 HydrophobicContact CG-CG2 3.89Å; V155-V162 HydrophobicContact CG1-CG1 4.05Å; E156-V162 WeakPolarHBondContact O-CA 3.3Å; A157-V162 HydrophobicContact CB-CG2 4.34Å; V162-V164 HydrophobicContact CG1-CG2 4.46Å; V162-L227 HydrophobicContact CB-CB 4.35Å; V162-L227 PolarHBondContact N-O 2.83Å; V162-L227 WeakPolarHBondContact O-CB 3.24Å; V162-L227 PolarHBondContact O-N 3.33Å; V162-T232 HydrophobicContact CB-CG2 4.25Å; V162-T232 HydrophobicContact CG2-CG2 4.01Å
163T97.2Very high95.6Very high21 Ų2134.7 Ų34.713%0.12918%0.179CC..EExtended strand (participates in β ladder)trans-104.6125.8176.547.10000110.3V155 E156 R161 F225 V226V155-T163 WeakPolarHBondContact CA-O 3.32Å; E156-T163 PolarHBondContact N-O 2.99Å; E156-T163 PolarHBondContact O-N 3.46Å; E156-T163 PolarHBondContact O-OG1 3.19Å; R161-T163 HydrophobicContact CG-CG2 4.45Å; T163-F225 VanDerWaalsContact CA-O 3.32Å; T163-F225 WeakPolarHBondContact CA-O 3.38Å; T163-V226 HydrophobicContact CG2-CG2 4.37Å
164V97.8Very high95.4Very high0 Ų036 Ų360%019%0.193CC..EExtended strand (participates in β ladder)trans-115.9116.6174.6-177.20000108.1F126 M153 Y154 V155 V162 F166 T224 F225 L227 I244F126-V164 HydrophobicContact CD1-CG2 4.39Å; F126-V164 HydrophobicContact CE1-CG1 4.09Å; F126-V164 HydrophobicContact CE1-CG2 4.1Å; M153-V164 HydrophobicContact CG-CG1 4.08Å; M153-V164 HydrophobicContact SD-CG1 4.13Å; Y154-V164 CarbonylContact O-C 3.54Å; Y154-V164 WeakPolarHBondContact O-CA 3.24Å; V155-V164 HydrophobicContact CG1-CG2 4.31Å; V155-V164 HydrophobicContact CG2-CG1 4.48Å; V162-V164 HydrophobicContact CG1-CG2 4.46Å; V164-F166 HydrophobicContact CG1-CD2 4.29Å; V164-F166 HydrophobicContact CG1-CE2 3.66Å; V164-F166 HydrophobicContact CG1-CZ 3.94Å; V164-T224 CarbonylContact O-C 3.37Å; V164-T224 WeakPolarHBondContact O-CA 3.1Å; V164-F225 HydrophobicContact CB-CB 4.36Å; V164-F225 PolarHBondContact N-O 2.82Å; V164-F225 PolarHBondContact O-N 3.09Å; V164-L227 HydrophobicContact CG2-CD1 3.99Å; V164-I244 HydrophobicContact CB-CG1 4.41Å; V164-I244 HydrophobicContact CG1-CG1 4.12Å; V164-I244 HydrophobicContact CG2-CG1 4.45Å
165I97.2Very high95.3Very high9 Ų936.3 Ų36.35%0.04620%0.195CC..EExtended strand (participates in β ladder)trans-112.3119.8-178.2-49.5174.5000109M153 Y154 P206 L209 Y222 I223 T224M153-I165 CarbonylContact C-O 3.55Å; M153-I165 WeakPolarHBondContact CA-O 3.3Å; Y154-I165 HydrophobicContact CD2-CB 4.27Å; Y154-I165 HydrophobicContact CD2-CG2 4.47Å; Y154-I165 PolarHBondContact N-O 3.23Å; Y154-I165 PolarHBondContact O-N 3.18Å; I165-P206 HydrophobicContact CG2-CG 4.5Å; I165-L209 HydrophobicContact CB-CD1 4.36Å; I165-L209 HydrophobicContact CD1-CD1 3.92Å; I165-L209 HydrophobicContact CD1-CD2 4.19Å; I165-L209 HydrophobicContact CD1-CG 3.96Å; I165-L209 HydrophobicContact CG2-CD1 3.92Å; I165-Y222 HydrophobicContact CG2-CD1 3.98Å; I165-I223 CarbonylContact C-O 3.59Å; I165-I223 WeakPolarHBondContact CA-O 3.43Å; I165-T224 HydrophobicContact CG1-CG2 3.91Å
166F97.2Very high95.1Very high6 Ų637.1 Ų37.13%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-96119.4169.5-65.9-84.9000109.6Y147 M153 V164 Y222 I223 F225 I244 F247Y147-F166 HydrophobicContact CE1-CD1 4.02Å; M153-F166 HydrophobicContact CB-CD1 4.24Å; M153-F166 HydrophobicContact CB-CE1 4.28Å; M153-F166 HydrophobicContact CG-CD1 4.12Å; M153-F166 HydrophobicContact CG-CE1 3.87Å; M153-F166 HydrophobicContact CG-CZ 4.32Å; M153-F166 HydrophobicContact SD-CD1 4.38Å; M153-F166 HydrophobicContact SD-CE1 3.54Å; M153-F166 VanDerWaalsContact SD-CE1 3.54Å; M153-F166 HydrophobicContact SD-CZ 3.79Å; V164-F166 HydrophobicContact CG1-CD2 4.29Å; V164-F166 HydrophobicContact CG1-CE2 3.66Å; V164-F166 HydrophobicContact CG1-CZ 3.94Å; F166-Y222 CarbonylContact O-C 3.59Å; F166-Y222 WeakPolarHBondContact O-CA 3.44Å; F166-I223 HydrophobicContact CB-CB 4.47Å; F166-I223 PolarHBondContact N-O 2.91Å; F166-I223 PolarHBondContact O-N 2.72Å; F166-F225 HydrophobicContact CD2-CD2 4.25Å; F166-F225 HydrophobicContact CD2-CE2 4.41Å; F166-F225 HydrophobicContact CE2-CD2 4.21Å; F166-F225 HydrophobicContact CE2-CE2 4.4Å; F166-I244 HydrophobicContact CE2-CD1 3.94Å; F166-I244 HydrophobicContact CE2-CG1 4.08Å; F166-I244 HydrophobicContact CZ-CG1 4.24Å; F166-I244 VanDerWaalsContact CZ-O 3.26Å; F166-I244 WeakPolarHBondContact CZ-O 3.36Å; F166-F247 AromaticContact CD2-CD1 3.81Å; F166-F247 HydrophobicContact CD2-CD1 3.81Å; F166-F247 HydrophobicContact CD2-CE1 4.41Å; F166-F247 HydrophobicContact CE2-CB 4.34Å; F166-F247 HydrophobicContact CE2-CD1 4.02Å; F166-F247 HydrophobicContact CG-CD1 4.32Å
167S96.6Very high95Very high1 Ų140.7 Ų40.71%0.00722%0.219CC..EExtended strand (participates in β ladder)trans-91.7102.4162.4-177.80000107.9E151 T152 Y222E151-S167 VanDerWaalsContact CA-O 3.26Å; E151-S167 WeakPolarHBondContact CA-O 3.33Å; E151-S167 VanDerWaalsContact CB-O 3.24Å; E151-S167 WeakPolarHBondContact CB-O 3.26Å; T152-S167 PolarHBondContact N-O 2.9Å; T152-S167 WeakPolarHBondContact O-CB 3.48Å; T152-S167 PolarHBondContact O-N 2.98Å; S167-Y222 PolarHBondContact OG-OH 2.86Å
168T95.9Very high94.9Very high2 Ų242 Ų421%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-111.8149-178.9-164.70000111.2E151 F170 G221 I223 H252E151-T168 VanDerWaalsContact CD-OG1 3.26Å; E151-T168 WeakPolarHBondContact OE2-CB 3.26Å; E151-T168 PolarHBondContact OE2-OG1 2.88Å; T168-F170 HydrophobicContact CG2-CE2 3.87Å; T168-F170 HydrophobicContact CG2-CZ 3.82Å; T168-G221 PolarHBondContact N-O 2.86Å; T168-G221 PolarHBondContact O-N 2.93Å; T168-I223 HydrophobicContact CG2-CD1 3.52Å; T168-H252 PolarHBondContact OG1-NE2 2.98Å; T168-H252 VanDerWaalsContact OG1-NE2 3.08Å
169T94.9Very high94.8Very high10 Ų1038.2 Ų38.26%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-107.2139.5177.856.90000111D150 E151 N219 V220 H252D150-T169 HydrophobicContact CB-CG2 4.22Å; D150-T169 WeakPolarHBondContact O-CG2 3.37Å; D150-T169 PolarHBondContact OD2-OG1 3.26Å; E151-T169 HydrophobicContact CG-CG2 4.31Å; T169-N219 CarbonylContact C-O 3.59Å; T169-N219 WeakPolarHBondContact CA-O 3.36Å; T169-V220 HydrophobicContact CG2-CG2 4.44Å; T169-H252 PolarHBondContact O-CE1 3Å; T169-H252 VanDerWaalsContact O-CE1 3.32Å
170F94.8Very high94.8Very high2 Ų241.4 Ų41.41%0.00921%0.214CC..  trans-107.8109.2174-59.7-83.9000108.6T168 D172 D175 V176 N219 L251 I255T168-F170 HydrophobicContact CG2-CE2 3.87Å; T168-F170 HydrophobicContact CG2-CZ 3.82Å; F170-D172 VanDerWaalsContact C-N 3.34Å; F170-D175 HydrophobicContact CB-CB 4.41Å; F170-D175 HydrophobicContact CD1-CB 4.11Å; F170-V176 HydrophobicContact CB-CG2 3.51Å; F170-V176 HydrophobicContact CD2-CG2 4.17Å; F170-V176 HydrophobicContact CG-CG2 4.01Å; F170-N219 PolarHBondContact N-O 2.83Å; F170-N219 VanDerWaalsContact O-CB 3.3Å; F170-N219 WeakPolarHBondContact O-CB 3.41Å; F170-L251 HydrophobicContact CZ-CD2 4.38Å; F170-I255 HydrophobicContact CD1-CD1 4.31Å; F170-I255 HydrophobicContact CE1-CD1 3.75Å
171K92.6Very high94.7Very high178 Ų17841.8 Ų41.877%0.77422%0.219SC*.SBendtrans-68.8-33.9-178.4-64.4-170.1176.4-170.10113
172D93.2Very high94.5Very high64 Ų6440.4 Ų40.434%0.34222%0.215SC..SBendtrans-98.5124.3179.4-179.1-13.4000108.9F170 G174 D175 V176 K259F170-D172 VanDerWaalsContact C-N 3.34Å; D172-G174 PolarHBondContact O-N 3.01Å; D172-G174 PolarHBondContact OD1-N 2.8Å; D172-D175 HydrophobicContact CB-CB 4.11Å; D172-D175 WeakPolarHBondContact O-CA 3.41Å; D172-D175 WeakPolarHBondContact O-CB 3.31Å; D172-D175 PolarHBondContact O-N 2.78Å; D172-V176 PolarHBondContact O-N 3.13Å; D172-K259 IonicContact OD2-NZ 3.82Å; D172-K259 PolarHBondContact OD2-NZ 3.48Å
173P91.5Very high94.1Very high106 Ų10640.4 Ų40.469%0.68822%0.215SC*.Hα-helixtrans-54.6-31.5174.9-26.134.6000113.6D175 V176P173-D175 VanDerWaalsContact C-N 3.3Å; P173-D175 PolarHBondContact O-N 3.13Å; P173-V176 WeakPolarHBondContact O-CB 3.35Å; P173-V176 PolarHBondContact O-N 2.82Å
174G92.8Very high93.6Very high28 Ų2845.4 Ų45.429%0.28924%0.237SC..Hα-helixtrans-66.5-31.7174.200000113D172 V176 I177 I178D172-G174 PolarHBondContact O-N 3.01Å; D172-G174 PolarHBondContact OD1-N 2.8Å; G174-V176 VanDerWaalsContact C-N 3.3Å; G174-V176 PolarHBondContact O-N 3.34Å; G174-I177 PolarHBondContact O-N 3.42Å; G174-I178 WeakPolarHBondContact O-CG1 3.49Å; G174-I178 PolarHBondContact O-N 2.84Å; G174-I178 VanDerWaalsContact O-N 3.11Å
175D95.5Very high93.1Very high12 Ų1251 Ų516%0.06426%0.263CS..Hα-helixtrans-70.4-28.4178-72.1-11.4000111.9F170 D172 P173 I177 G179 I255 K259F170-D175 HydrophobicContact CB-CB 4.41Å; F170-D175 HydrophobicContact CD1-CB 4.11Å; D172-D175 HydrophobicContact CB-CB 4.11Å; D172-D175 WeakPolarHBondContact O-CA 3.41Å; D172-D175 WeakPolarHBondContact O-CB 3.31Å; D172-D175 PolarHBondContact O-N 2.78Å; P173-D175 VanDerWaalsContact C-N 3.3Å; P173-D175 PolarHBondContact O-N 3.13Å; D175-I177 VanDerWaalsContact C-N 3.35Å; D175-G179 WeakPolarHBondContact O-CA 3.17Å; D175-G179 PolarHBondContact O-N 3.4Å; D175-I255 HydrophobicContact CB-CG2 3.92Å; D175-I255 WeakPolarHBondContact OD1-CG2 3.44Å; D175-K259 WeakPolarHBondContact OD1-CD 3.49Å; D175-K259 WeakPolarHBondContact OD1-CE 3.12Å; D175-K259 IonicContact OD1-NZ 2.97Å; D175-K259 PolarHBondContact OD1-NZ 2.87Å; D175-K259 IonicContact OD2-NZ 2.76Å; D175-K259 PolarHBondContact OD2-NZ 2.94Å; D175-K259 VanDerWaalsContact OD2-NZ 3.1Å
176V93.3Very high92.5Very high16 Ų1654.1 Ų54.110%0.09728%0.277CS..Hα-helixtrans-59.9-47.7171.6179.10000110.2F170 D172 P173 G174 G179 K180 H202F170-V176 HydrophobicContact CB-CG2 3.51Å; F170-V176 HydrophobicContact CD2-CG2 4.17Å; F170-V176 HydrophobicContact CG-CG2 4.01Å; D172-V176 PolarHBondContact O-N 3.13Å; P173-V176 WeakPolarHBondContact O-CB 3.35Å; P173-V176 PolarHBondContact O-N 2.82Å; G174-V176 VanDerWaalsContact C-N 3.3Å; G174-V176 PolarHBondContact O-N 3.34Å; V176-G179 PolarHBondContact O-N 3.06Å; V176-K180 WeakPolarHBondContact O-CB 3.32Å; V176-K180 PolarHBondContact O-N 3.35Å; V176-H202 WeakPolarHBondContact CG1-CE1 3.38Å
177I92.9Very high91.4Very high119 Ų11957.5 Ų57.561%0.6129%0.292SS*.Hα-helixtrans-66.2-48.4-177.4-58.1175.8000110.2G174 D175 K180 V181G174-I177 PolarHBondContact O-N 3.42Å; D175-I177 VanDerWaalsContact C-N 3.35Å; I177-K180 PolarHBondContact O-N 2.9Å; I177-V181 PolarHBondContact O-N 3Å
178I94.8Very high90.1Very high32 Ų3259.4 Ų59.416%0.16431%0.313CS..Hα-helixtrans-63.3-45.6178.9-62.5171.1000110.1G174 K180 V181 F182 I255 T258 K259G174-I178 WeakPolarHBondContact O-CG1 3.49Å; G174-I178 PolarHBondContact O-N 2.84Å; G174-I178 VanDerWaalsContact O-N 3.11Å; I178-K180 VanDerWaalsContact C-N 3.31Å; I178-K180 PolarHBondContact O-N 3.47Å; I178-V181 WeakPolarHBondContact O-CB 3.45Å; I178-V181 PolarHBondContact O-N 3.46Å; I178-V181 VanDerWaalsContact O-N 3.12Å; I178-F182 HydrophobicContact CG2-CD2 3.91Å; I178-F182 HydrophobicContact CG2-CE2 3.8Å; I178-F182 WeakPolarHBondContact O-CD2 3.24Å; I178-F182 PolarHBondContact O-N 2.77Å; I178-F182 VanDerWaalsContact O-N 3.1Å; I178-I255 HydrophobicContact CB-CG2 4.28Å; I178-I255 HydrophobicContact CG2-CB 4.38Å; I178-I255 HydrophobicContact CG2-CG1 4.14Å; I178-I255 HydrophobicContact CG2-CG2 4.09Å; I178-T258 HydrophobicContact CG2-CG2 4.1Å; I178-K259 HydrophobicContact CD1-CD 4.07Å; I178-K259 HydrophobicContact CD1-CG 3.55Å
179G93.2Very high88.9Confident0 Ų062.9 Ų62.90%033%0.325CS..Hα-helixtrans-58.7-41.5177.900000112.5D175 V176 V181 F182 L183D175-G179 WeakPolarHBondContact O-CA 3.17Å; D175-G179 PolarHBondContact O-N 3.4Å; V176-G179 PolarHBondContact O-N 3.06Å; G179-V181 VanDerWaalsContact C-N 3.32Å; G179-V181 PolarHBondContact O-N 3.15Å; G179-F182 WeakPolarHBondContact O-CB 3.26Å; G179-F182 PolarHBondContact O-N 3.2Å; G179-L183 VanDerWaalsContact O-CG 3.29Å; G179-L183 WeakPolarHBondContact O-CG 3.37Å; G179-L183 PolarHBondContact O-N 3.33Å
180K91.3Very high87.9Confident109 Ų10972.3 Ų72.347%0.47436%0.36SS..Hα-helixtrans-59.1-41.3174.9-176.8173.3-1791780112.2V176 I177 I178 L183 Q184 Y200V176-K180 WeakPolarHBondContact O-CB 3.32Å; V176-K180 PolarHBondContact O-N 3.35Å; I177-K180 PolarHBondContact O-N 2.9Å; I178-K180 VanDerWaalsContact C-N 3.31Å; I178-K180 PolarHBondContact O-N 3.47Å; K180-L183 PolarHBondContact O-N 3.14Å; K180-Q184 WeakPolarHBondContact O-CB 3.49Å; K180-Q184 PolarHBondContact O-N 2.96Å; K180-Y200 HydrophobicContact CB-CE1 4.42Å; K180-Y200 HydrophobicContact CG-CE1 4.12Å
181V92.4Very high87.3Confident85 Ų8576.3 Ų76.352%0.51540%0.401SS..Hα-helixtrans-63-45175.7176.10000111I177 I178 G179 L183 Q184 E185I177-V181 PolarHBondContact O-N 3Å; I178-V181 WeakPolarHBondContact O-CB 3.45Å; I178-V181 PolarHBondContact O-N 3.46Å; I178-V181 VanDerWaalsContact O-N 3.12Å; G179-V181 VanDerWaalsContact C-N 3.32Å; G179-V181 PolarHBondContact O-N 3.15Å; V181-L183 PolarHBondContact O-N 3.41Å; V181-Q184 PolarHBondContact O-N 3.2Å; V181-E185 PolarHBondContact O-N 3.41Å
182F91.5Very high87.1Confident49 Ų4970.2 Ų70.222%0.21538%0.381CS..Hα-helixtrans-58.5-48.3175-88.7-84.8000112.2I178 G179 Q184 E185 F186 L251 H254 I255 T258I178-F182 HydrophobicContact CG2-CD2 3.91Å; I178-F182 HydrophobicContact CG2-CE2 3.8Å; I178-F182 WeakPolarHBondContact O-CD2 3.24Å; I178-F182 PolarHBondContact O-N 2.77Å; I178-F182 VanDerWaalsContact O-N 3.1Å; G179-F182 WeakPolarHBondContact O-CB 3.26Å; G179-F182 PolarHBondContact O-N 3.2Å; F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-Q184 PolarHBondContact O-N 3.21Å; F182-E185 PolarHBondContact O-N 3.31Å; F182-F186 HydrophobicContact CB-CE2 4.39Å; F182-F186 HydrophobicContact CD1-CE2 4.37Å; F182-F186 WeakPolarHBondContact O-CD2 3.45Å; F182-F186 PolarHBondContact O-N 2.86Å; F182-L251 HydrophobicContact CB-CD1 4.09Å; F182-H254 HydrophobicContact CE1-CB 3.9Å; F182-H254 HydrophobicContact CZ-CB 3.91Å; F182-I255 HydrophobicContact CD2-CG1 4.26Å; F182-I255 HydrophobicContact CE2-CG1 4.48Å; F182-T258 VanDerWaalsContact CE2-OG1 3.31Å; F182-T258 WeakPolarHBondContact CE2-OG1 3.44Å; F182-T258 VanDerWaalsContact CZ-OG1 3.24Å; F182-T258 WeakPolarHBondContact CZ-OG1 3.43Å
183L89.8Confident86.8Confident0 Ų074.6 Ų74.60%040%0.4CS..Hα-helixtrans-68.5-34.1-175.6-66.1168.2000112.4G179 K180 V181 E185 F186 H187 L198 Y200 I223 F247 L251G179-L183 VanDerWaalsContact O-CG 3.29Å; G179-L183 WeakPolarHBondContact O-CG 3.37Å; G179-L183 PolarHBondContact O-N 3.33Å; K180-L183 PolarHBondContact O-N 3.14Å; V181-L183 PolarHBondContact O-N 3.41Å; L183-E185 VanDerWaalsContact C-N 3.31Å; L183-E185 PolarHBondContact O-N 2.68Å; L183-F186 HydrophobicContact CD2-CD2 4.35Å; L183-F186 PolarHBondContact O-N 3.43Å; L183-F186 VanDerWaalsContact O-N 3.17Å; L183-H187 PolarHBondContact O-N 3.36Å; L183-H187 VanDerWaalsContact O-N 3.1Å; L183-H187 PolarHBondContact O-ND1 2.89Å; L183-L198 HydrophobicContact CD2-CD1 4.48Å; L183-L198 HydrophobicContact CD2-CD2 4.25Å; L183-Y200 HydrophobicContact CB-CD1 4.16Å; L183-Y200 HydrophobicContact CB-CD2 4.44Å; L183-Y200 HydrophobicContact CB-CG 3.98Å; L183-Y200 HydrophobicContact CD1-CD1 4.28Å; L183-Y200 HydrophobicContact CD1-CD2 3.36Å; L183-Y200 HydrophobicContact CD1-CE1 4.37Å; L183-Y200 HydrophobicContact CD1-CE2 3.44Å; L183-Y200 VanDerWaalsContact CD1-CE2 3.44Å; L183-Y200 HydrophobicContact CD1-CG 3.77Å; L183-Y200 HydrophobicContact CG-CD2 4.42Å; L183-Y200 HydrophobicContact CG-CG 4.44Å; L183-I223 HydrophobicContact CD1-CD1 4.31Å; L183-I223 HydrophobicContact CD1-CG1 3.83Å; L183-I223 HydrophobicContact CD2-CG1 3.7Å; L183-I223 HydrophobicContact CD2-CG2 4.15Å; L183-I223 HydrophobicContact CG-CG1 4.46Å; L183-F247 HydrophobicContact CD2-CZ 4.08Å; L183-L251 HydrophobicContact CD1-CD2 4.43Å; L183-L251 HydrophobicContact CD2-CD1 4.45Å; L183-L251 HydrophobicContact CD2-CD2 4.33Å
184Q87.4Confident86.8Confident125 Ų12575 Ų7558%0.58440%0.4SS*.Hα-helixtrans-62.6-36.3173-175.5173.5-10.200112.4K180 V181 F182K180-Q184 WeakPolarHBondContact O-CB 3.49Å; K180-Q184 PolarHBondContact O-N 2.96Å; V181-Q184 PolarHBondContact O-N 3.2Å; F182-Q184 VanDerWaalsContact C-N 3.34Å; F182-Q184 PolarHBondContact O-N 3.21Å
185E87.2Confident86.8Confident117 Ų11775.1 Ų75.155%0.54740%0.399SS..Hα-helixtrans-70.7-33.4174-68.6-57.213600112.2V181 F182 L183V181-E185 PolarHBondContact O-N 3.41Å; F182-E185 PolarHBondContact O-N 3.31Å; L183-E185 VanDerWaalsContact C-N 3.31Å; L183-E185 PolarHBondContact O-N 2.68Å
186F83.5Confident86.7Confident76 Ų7676.6 Ų76.633%0.33341%0.409SS..Hα-helixtrans-70.1-29176.4-73.1-58.9000114.1F182 L183 G188 L198 Y250F182-F186 HydrophobicContact CB-CE2 4.39Å; F182-F186 HydrophobicContact CD1-CE2 4.37Å; F182-F186 WeakPolarHBondContact O-CD2 3.45Å; F182-F186 PolarHBondContact O-N 2.86Å; L183-F186 HydrophobicContact CD2-CD2 4.35Å; L183-F186 PolarHBondContact O-N 3.43Å; L183-F186 VanDerWaalsContact O-N 3.17Å; F186-G188 PolarHBondContact O-N 3.4Å; F186-L198 HydrophobicContact CB-CB 4.41Å; F186-L198 HydrophobicContact CB-CD1 3.86Å; F186-L198 HydrophobicContact CB-CD2 4.05Å; F186-L198 HydrophobicContact CB-CG 4.33Å; F186-L198 HydrophobicContact CG-CD1 4.34Å; F186-Y250 AromaticContact CZ-CE1 3.91Å; F186-Y250 HydrophobicContact CZ-CE1 3.91Å
187H74.7Confident86.7Confident76 Ų7679.4 Ų79.435%0.35242%0.421SS..THydrogen-bonded Turntrans-58.1-31.4179.5-86.5127.1000114.1L183 R189 L198 I199 Y200L183-H187 PolarHBondContact O-N 3.36Å; L183-H187 VanDerWaalsContact O-N 3.1Å; L183-H187 PolarHBondContact O-ND1 2.89Å; H187-R189 PolarHBondContact O-N 2.8Å; H187-L198 PolarHBondContact CD2-O 3.11Å; H187-I199 WeakPolarHBondContact NE2-CA 3.37Å; H187-Y200 PolarHBondContact CE1-N 2.55Å; H187-Y200 PolarHBondContact NE2-N 3.08Å
188G68.2Low86.7Confident42 Ų4274 Ų7443%0.43339%0.393SS..THydrogen-bonded Turntrans-80.3-3.4-162.200000117.1F186 R190F186-G188 PolarHBondContact O-N 3.4Å; G188-R190 WeakPolarHBondContact O-CG 3.46Å; G188-R190 PolarHBondContact O-N 3.38Å
189R72Confident86.6Confident75 Ų7576 Ų7628%0.28340%0.404SS..  trans44.220.3-168.9-74-173.8172.4172.6-2.3114.5H187 G191 S192 A195H187-R189 PolarHBondContact O-N 2.8Å; R189-G191 PolarHBondContact O-N 3.49Å; R189-S192 CarbonylContact O-C 3.6Å; R189-S192 PolarHBondContact O-N 3.14Å; R189-A195 PolarHBondContact NE-O 2.84Å; R189-A195 VanDerWaalsContact NE-O 3.08Å; R189-A195 PolarHBondContact NH2-O 2.75Å
190R73.9Confident86.5Confident208 Ų20877.5 Ų77.579%0.78541%0.409SS*.THydrogen-bonded Turntrans-65.3-29.8-168.1-69.5-177.7177.3168.4-2.5112.5G188G188-R190 WeakPolarHBondContact O-CG 3.46Å; G188-R190 PolarHBondContact O-N 3.38Å
191G82Confident86.5Confident85 Ų8574.1 Ų74.188%0.87640%0.399SS*.THydrogen-bonded Turntrans-82.3-28.1179.200000114.6R189R189-G191 PolarHBondContact O-N 3.49Å
192S87.3Confident86.5Confident50 Ų5073.7 Ų73.735%0.3539%0.392SS..  trans-158.8126178.7177.30000111.3R189 T194 A195R189-S192 CarbonylContact O-C 3.6Å; R189-S192 PolarHBondContact O-N 3.14Å; S192-T194 VanDerWaalsContact C-N 3.26Å; S192-T194 PolarHBondContact O-N 3.28Å; S192-T194 PolarHBondContact OG-N 3.47Å; S192-T194 PolarHBondContact OG-OG1 3.02Å; S192-T194 VanDerWaalsContact OG-OG1 3.09Å; S192-A195 WeakPolarHBondContact O-CB 3.42Å; S192-A195 PolarHBondContact O-N 3.38Å
193Q87.2Confident86.5Confident157 Ų15771.9 Ų71.973%0.73439%0.387SS*.THydrogen-bonded Turntrans-68.8-26.5177.7-66-64-10.700112.9A195Q193-A195 VanDerWaalsContact C-N 3.33Å
194T92Very high86.7Confident114 Ų11477 Ų7770%0.69941%0.411SS*.THydrogen-bonded Turntrans-86.7-3.4178.457.90000112.7S192 H231S192-T194 VanDerWaalsContact C-N 3.26Å; S192-T194 PolarHBondContact O-N 3.28Å; S192-T194 PolarHBondContact OG-N 3.47Å; S192-T194 PolarHBondContact OG-OG1 3.02Å; S192-T194 VanDerWaalsContact OG-OG1 3.09Å; T194-H231 PolarHBondContact O-NE2 3.33Å
195A92.7Very high87.1Confident31 Ų3171.5 Ų71.526%0.25639%0.386SS..SBendtrans-68.6153.918000000112.5R189 S192 Q193R189-A195 PolarHBondContact NE-O 2.84Å; R189-A195 VanDerWaalsContact NE-O 3.08Å; R189-A195 PolarHBondContact NH2-O 2.75Å; S192-A195 WeakPolarHBondContact O-CB 3.42Å; S192-A195 PolarHBondContact O-N 3.38Å; Q193-A195 VanDerWaalsContact C-N 3.33Å
196P93.9Very high87.4Confident42 Ų4266.9 Ų66.927%0.27337%0.366SS..PPolyproline II helixtrans-48.4143.9168.5-27.834.6000112.4F225 L227P196-F225 HydrophobicContact CB-CD1 4.15Å; P196-L227 HydrophobicContact CB-CD2 3.93Å; P196-L227 HydrophobicContact CG-CD2 3.72Å
197Q92.5Very high87.7Confident76 Ų7670 Ų7036%0.35538%0.384SS..EExtended strand (participates in β ladder)trans-74.5135167.5-175.417811.600108.1I199 V226Q197-I199 HydrophobicContact CG-CG1 4.22Å; Q197-V226 HydrophobicContact CB-CB 4.06Å; Q197-V226 HydrophobicContact CB-CG2 4.29Å; Q197-V226 PolarHBondContact N-O 2.99Å; Q197-V226 PolarHBondContact O-N 3.39Å
198L92.9Very high88.3Confident6 Ų671.1 Ų71.13%0.03139%0.389CS..EExtended strand (participates in β ladder)trans-109.1134.7169.5-172.3145.2000108.6L183 F186 H187 I223 T224 F225 F247L183-L198 HydrophobicContact CD2-CD1 4.48Å; L183-L198 HydrophobicContact CD2-CD2 4.25Å; F186-L198 HydrophobicContact CB-CB 4.41Å; F186-L198 HydrophobicContact CB-CD1 3.86Å; F186-L198 HydrophobicContact CB-CD2 4.05Å; F186-L198 HydrophobicContact CB-CG 4.33Å; F186-L198 HydrophobicContact CG-CD1 4.34Å; H187-L198 PolarHBondContact CD2-O 3.11Å; L198-I223 HydrophobicContact CD1-CG2 3.65Å; L198-I223 HydrophobicContact CD2-CG2 4.1Å; L198-I223 HydrophobicContact CG-CG2 3.83Å; L198-T224 CarbonylContact C-O 3.55Å; L198-T224 WeakPolarHBondContact CA-O 3.4Å; L198-F225 HydrophobicContact CD1-CE1 3.86Å; L198-F225 HydrophobicContact CD1-CE2 3.87Å; L198-F225 HydrophobicContact CD1-CZ 3.49Å; L198-F225 VanDerWaalsContact CD1-CZ 3.49Å; L198-F247 HydrophobicContact CD1-CE2 4.47Å; L198-F247 HydrophobicContact CD1-CZ 4.37Å
199I92.6Very high89.5Confident74 Ų7469.1 Ų69.138%0.37937%0.368SS..EExtended strand (participates in β ladder)trans-123.7136.9172.2-53.7169.5000107.2H187 Q197 T224 V226H187-I199 WeakPolarHBondContact NE2-CA 3.37Å; Q197-I199 HydrophobicContact CG-CG1 4.22Å; I199-T224 PolarHBondContact N-O 2.83Å; I199-T224 PolarHBondContact O-N 2.85Å; I199-V226 HydrophobicContact CD1-CG2 4.44Å
200Y92.2Very high90.1Very high30 Ų3071 Ų7112%0.11838%0.378CS..EExtended strand (participates in β ladder)trans-124.8132.8178166.2-111.8000110K180 L183 H187 H202 Y222 I223K180-Y200 HydrophobicContact CB-CE1 4.42Å; K180-Y200 HydrophobicContact CG-CE1 4.12Å; L183-Y200 HydrophobicContact CB-CD1 4.16Å; L183-Y200 HydrophobicContact CB-CD2 4.44Å; L183-Y200 HydrophobicContact CB-CG 3.98Å; L183-Y200 HydrophobicContact CD1-CD1 4.28Å; L183-Y200 HydrophobicContact CD1-CD2 3.36Å; L183-Y200 HydrophobicContact CD1-CE1 4.37Å; L183-Y200 HydrophobicContact CD1-CE2 3.44Å; L183-Y200 VanDerWaalsContact CD1-CE2 3.44Å; L183-Y200 HydrophobicContact CD1-CG 3.77Å; L183-Y200 HydrophobicContact CG-CD2 4.42Å; L183-Y200 HydrophobicContact CG-CG 4.44Å; H187-Y200 PolarHBondContact CE1-N 2.55Å; H187-Y200 PolarHBondContact NE2-N 3.08Å; Y200-H202 HydrophobicContact CE1-CB 4.14Å; Y200-H202 PolarHBondContact OH-ND1 3.49Å; Y200-Y222 CarbonylContact C-O 3.49Å; Y200-Y222 VanDerWaalsContact CA-O 3.3Å; Y200-Y222 WeakPolarHBondContact CA-O 3.3Å; Y200-Y222 WeakPolarHBondContact CD2-O 3.33Å; Y200-I223 HydrophobicContact CD2-CG1 4.19Å
201S91.7Very high90.5Very high38 Ų3866.4 Ų66.427%0.26638%0.378SS..EExtended strand (participates in β ladder)trans-122.3141.4170.2-178.20000109.2E204 Y222S201-E204 WeakPolarHBondContact CB-O 3.44Å; S201-E204 PolarHBondContact OG-O 3.06Å; S201-Y222 PolarHBondContact N-O 3.41Å; S201-Y222 PolarHBondContact O-N 3.2Å
202H91.9Very high90.6Very high77 Ų7764.5 Ų64.536%0.35635%0.35SS..EExtended strand (participates in β ladder)trans-109.7132.3-179.6-178.555.1000110.2V176 Y200 E204 D218 V220V176-H202 WeakPolarHBondContact CG1-CE1 3.38Å; Y200-H202 HydrophobicContact CE1-CB 4.14Å; Y200-H202 PolarHBondContact OH-ND1 3.49Å; H202-E204 PolarHBondContact O-N 2.88Å; H202-D218 PolarHBondContact CE1-O 2.79Å; H202-D218 PolarHBondContact NE2-O 2.68Å; H202-V220 PolarHBondContact ND1-O 2.98Å
203G91.5Very high90.5Very high11 Ų1168.3 Ų68.311%0.11337%0.366CS..SBendtrans74.7-36.5175.200000115.8T216 G217 V220G203-T216 WeakPolarHBondContact O-CA 3.48Å; G203-G217 VanDerWaalsContact CA-O 3.3Å; G203-G217 WeakPolarHBondContact CA-O 3.42Å; G203-G217 PolarHBondContact O-N 3.39Å; G203-G217 VanDerWaalsContact O-N 3.08Å; G203-V220 PolarHBondContact N-O 3.43Å
204E93.6Very high90.7Very high107 Ų10761.5 Ų61.550%0.534%0.336SS..SBendtrans-114.5136.5-175.6-69.7-104.3144.700111.6S201 H202 Y222S201-E204 WeakPolarHBondContact CB-O 3.44Å; S201-E204 PolarHBondContact OG-O 3.06Å; H202-E204 PolarHBondContact O-N 2.88Å; E204-Y222 WeakPolarHBondContact O-CD2 3.44Å
205P94.8Very high90.7Very high10 Ų1061.9 Ų61.97%0.06533%0.325CS..  trans-64.5150.2172.424.5-31.2000112L209 A214 T216 Y222P205-L209 HydrophobicContact CB-CB 3.91Å; P205-A214 HydrophobicContact CB-CB 3.81Å; P205-A214 HydrophobicContact CG-CB 4.06Å; P205-T216 HydrophobicContact CG-CG2 4.4Å; P205-Y222 HydrophobicContact CB-CD1 4.42Å; P205-Y222 HydrophobicContact CB-CD2 4.45Å; P205-Y222 HydrophobicContact CB-CE1 3.9Å; P205-Y222 HydrophobicContact CB-CE2 3.95Å
206P93.5Very high90.8Very high20 Ų2064.7 Ų64.713%0.1334%0.339CS..  trans-53.7155.5167.1-23.633.5000111.9I165 E208 L209 K210I165-P206 HydrophobicContact CG2-CG 4.5Å; P206-E208 WeakPolarHBondContact CB-OE2 3.33Å; P206-E208 PolarHBondContact O-N 3.4Å; P206-E208 VanDerWaalsContact O-N 3.08Å; P206-L209 PolarHBondContact O-N 3.2Å; P206-K210 PolarHBondContact O-N 3.47Å
207M91.1Very high90.7Very high142 Ų14263.9 Ų63.970%0.734%0.338SS*.G310 helixtrans-54.5-34.3-176.9-72-66.9-72.700112.5L209 K210M207-L209 PolarHBondContact O-N 2.86Å; M207-K210 PolarHBondContact O-N 3.09Å; M207-K210 HydrophobicContact SD-CD 3.61Å; M207-K210 WeakPolarHBondContact SD-CE 3.36Å; M207-K210 PolarHBondContact SD-NZ 3.47Å; M207-K210 VanDerWaalsContact SD-NZ 3.4Å
208E87.7Confident90.7Very high98 Ų9866.9 Ų66.946%0.45836%0.357SS..G310 helixtrans-63.3-25.2178.5-57.287.5165.800113.1R142 P206R142-E208 VanDerWaalsContact CZ-O 3.25Å; R142-E208 PolarHBondContact NH1-O 3.44Å; R142-E208 PolarHBondContact NH2-O 2.99Å; P206-E208 WeakPolarHBondContact CB-OE2 3.33Å; P206-E208 PolarHBondContact O-N 3.4Å; P206-E208 VanDerWaalsContact O-N 3.08Å
209L92.3Very high90.7Very high1 Ų171 Ų711%0.00538%0.379CS..G310 helixtrans-103.1-1.7-178.9-60.2-170.7000113.2Y154 I165 P205 P206 M207 S211 T212 A214 Y222Y154-L209 HydrophobicContact CD1-CD1 4.36Å; Y154-L209 HydrophobicContact CD1-CD2 3.82Å; Y154-L209 HydrophobicContact CD2-CD1 3.53Å; Y154-L209 HydrophobicContact CD2-CD2 4.36Å; Y154-L209 HydrophobicContact CE1-CD1 4.47Å; Y154-L209 HydrophobicContact CE1-CD2 4.28Å; Y154-L209 HydrophobicContact CE2-CD1 3.66Å; Y154-L209 HydrophobicContact CG-CD1 3.91Å; Y154-L209 HydrophobicContact CG-CD2 3.87Å; I165-L209 HydrophobicContact CB-CD1 4.36Å; I165-L209 HydrophobicContact CD1-CD1 3.92Å; I165-L209 HydrophobicContact CD1-CD2 4.19Å; I165-L209 HydrophobicContact CD1-CG 3.96Å; I165-L209 HydrophobicContact CG2-CD1 3.92Å; P205-L209 HydrophobicContact CB-CB 3.91Å; P206-L209 PolarHBondContact O-N 3.2Å; M207-L209 PolarHBondContact O-N 2.86Å; L209-S211 PolarHBondContact O-N 3.28Å; L209-S211 VanDerWaalsContact O-N 3.17Å; L209-T212 PolarHBondContact O-N 3.32Å; L209-T212 PolarHBondContact O-OG1 2.68Å; L209-A214 HydrophobicContact CB-CB 4.09Å; L209-Y222 HydrophobicContact CD1-CD1 4.08Å; L209-Y222 HydrophobicContact CD1-CE1 3.91Å
210K84.6Confident90.8Very high114 Ų11467.6 Ų67.650%0.49636%0.361SS..THydrogen-bonded Turntrans-63.5-23.4-177.9-78-168.3176.2-173.20114.6P206 M207 T212P206-K210 PolarHBondContact O-N 3.47Å; M207-K210 PolarHBondContact O-N 3.09Å; M207-K210 HydrophobicContact SD-CD 3.61Å; M207-K210 WeakPolarHBondContact SD-CE 3.36Å; M207-K210 PolarHBondContact SD-NZ 3.47Å; M207-K210 VanDerWaalsContact SD-NZ 3.4Å; K210-T212 VanDerWaalsContact C-N 3.32Å
211S81.8Confident90.9Very high111 Ų11166.1 Ų66.178%0.77636%0.356SS*.THydrogen-bonded Turntrans-88.53.3177.563.60000113.6L209L209-S211 PolarHBondContact O-N 3.28Å; L209-S211 VanDerWaalsContact O-N 3.17Å
212T85.3Confident91.1Very high46 Ų4664.3 Ų64.328%0.28234%0.343SS..THydrogen-bonded Turntrans-106.2176.3178.171.50000110.6L209 K210 A214L209-T212 PolarHBondContact O-N 3.32Å; L209-T212 PolarHBondContact O-OG1 2.68Å; K210-T212 VanDerWaalsContact C-N 3.32Å; T212-A214 PolarHBondContact O-N 3.09Å; T212-A214 WeakPolarHBondContact OG1-CB 3.41Å; T212-A214 PolarHBondContact OG1-N 3.42Å
213D85.3Confident91.3Very high130 Ų13060.7 Ų60.770%0.69533%0.326SS*.THydrogen-bonded Turntrans-74.430.2170.261-18.7000112.9R215D213-R215 PolarHBondContact O-N 3.38Å
214A91.1Very high91.5Very high13 Ų1360.8 Ų60.811%0.10733%0.325CS..  trans-64.7123.2-177.600000110.2P205 L209 T212 T216 Y222P205-A214 HydrophobicContact CB-CB 3.81Å; P205-A214 HydrophobicContact CG-CB 4.06Å; L209-A214 HydrophobicContact CB-CB 4.09Å; T212-A214 PolarHBondContact O-N 3.09Å; T212-A214 WeakPolarHBondContact OG1-CB 3.41Å; T212-A214 PolarHBondContact OG1-N 3.42Å; A214-T216 PolarHBondContact O-N 3.08Å; A214-Y222 HydrophobicContact CB-CE1 4.42Å; A214-Y222 WeakPolarHBondContact CB-OH 3.15Å
215R92.5Very high91.7Very high123 Ų12357 Ų5746%0.46431%0.307SS..  trans-63.5133.4-175.2-175.7-178.4-81-166-1.7112.2D150 D213 V220 Y222D150-R215 VanDerWaalsContact CB-NH1 3.32Å; D213-R215 PolarHBondContact O-N 3.38Å; R215-V220 HydrophobicContact CG-CG2 4.01Å; R215-Y222 PolarHBondContact N-OH 3.14Å; R215-Y222 VanDerWaalsContact N-OH 3.08Å; R215-Y222 WeakPolarHBondContact O-CE2 3.39Å; R215-Y222 PolarHBondContact O-OH 3.28Å
216T93.2Very high91.7Very high89 Ų8956.8 Ų56.855%0.54631%0.305SS..  trans-104.4152.816953.40000111G203 P205 A214G203-T216 WeakPolarHBondContact O-CA 3.48Å; P205-T216 HydrophobicContact CG-CG2 4.4Å; A214-T216 PolarHBondContact O-N 3.08Å
217G93Very high91.9Very high25 Ų2556 Ų5626%0.25830%0.3SS..SBendtrans153.1156.2169.900000114.4G203 N219 V220G203-G217 VanDerWaalsContact CA-O 3.3Å; G203-G217 WeakPolarHBondContact CA-O 3.42Å; G203-G217 PolarHBondContact O-N 3.39Å; G203-G217 VanDerWaalsContact O-N 3.08Å; G217-N219 PolarHBondContact O-N 2.94Å; G217-V220 WeakPolarHBondContact O-CB 3.42Å; G217-V220 PolarHBondContact O-N 2.75Å
218D92.3Very high92.2Very high140 Ų14052 Ų5275%0.74928%0.281SS*.THydrogen-bonded Turntrans-60.7-16.3-172.3-61.3-23.4000115H202H202-D218 PolarHBondContact CE1-O 2.79Å; H202-D218 PolarHBondContact NE2-O 2.68Å
219N93.5Very high92.6Very high91 Ų9150.6 Ų50.649%0.48728%0.28SS..THydrogen-bonded Turntrans-106.58.9179.631-9.5000112.5T169 F170 G217T169-N219 CarbonylContact C-O 3.59Å; T169-N219 WeakPolarHBondContact CA-O 3.36Å; F170-N219 PolarHBondContact N-O 2.83Å; F170-N219 VanDerWaalsContact O-CB 3.3Å; F170-N219 WeakPolarHBondContact O-CB 3.41Å; G217-N219 PolarHBondContact O-N 2.94Å
220V94.7Very high92.8Very high3 Ų352.8 Ų52.82%0.01830%0.303CS..EExtended strand (participates in β ladder)trans-102.2137.4177.2-173.10000110.4T169 H202 G203 R215 G217 Y222T169-V220 HydrophobicContact CG2-CG2 4.44Å; H202-V220 PolarHBondContact ND1-O 2.98Å; G203-V220 PolarHBondContact N-O 3.43Å; R215-V220 HydrophobicContact CG-CG2 4.01Å; G217-V220 WeakPolarHBondContact O-CB 3.42Å; G217-V220 PolarHBondContact O-N 2.75Å; V220-Y222 HydrophobicContact CG1-CD2 4.15Å; V220-Y222 HydrophobicContact CG1-CE2 3.62Å
221G94Very high93.4Very high0 Ų048.6 Ų48.60%029%0.285CS..EExtended strand (participates in β ladder)trans-127.2133.4171.700000111.2T168T168-G221 PolarHBondContact N-O 2.86Å; T168-G221 PolarHBondContact O-N 2.93Å
222Y95.8Very high94.1Very high0 Ų043.4 Ų43.40%025%0.249CC..EExtended strand (participates in β ladder)trans-103.2116.3173.4-73.8-91.5000109.7Y154 I165 F166 S167 Y200 S201 E204 P205 L209 A214 R215 V220Y154-Y222 HydrophobicContact CE2-CE1 4.5Å; I165-Y222 HydrophobicContact CG2-CD1 3.98Å; F166-Y222 CarbonylContact O-C 3.59Å; F166-Y222 WeakPolarHBondContact O-CA 3.44Å; S167-Y222 PolarHBondContact OG-OH 2.86Å; Y200-Y222 CarbonylContact C-O 3.49Å; Y200-Y222 VanDerWaalsContact CA-O 3.3Å; Y200-Y222 WeakPolarHBondContact CA-O 3.3Å; Y200-Y222 WeakPolarHBondContact CD2-O 3.33Å; S201-Y222 PolarHBondContact N-O 3.41Å; S201-Y222 PolarHBondContact O-N 3.2Å; E204-Y222 WeakPolarHBondContact O-CD2 3.44Å; P205-Y222 HydrophobicContact CB-CD1 4.42Å; P205-Y222 HydrophobicContact CB-CD2 4.45Å; P205-Y222 HydrophobicContact CB-CE1 3.9Å; P205-Y222 HydrophobicContact CB-CE2 3.95Å; L209-Y222 HydrophobicContact CD1-CD1 4.08Å; L209-Y222 HydrophobicContact CD1-CE1 3.91Å; A214-Y222 HydrophobicContact CB-CE1 4.42Å; A214-Y222 WeakPolarHBondContact CB-OH 3.15Å; R215-Y222 PolarHBondContact N-OH 3.14Å; R215-Y222 VanDerWaalsContact N-OH 3.08Å; R215-Y222 WeakPolarHBondContact O-CE2 3.39Å; R215-Y222 PolarHBondContact O-OH 3.28Å; V220-Y222 HydrophobicContact CG1-CD2 4.15Å; V220-Y222 HydrophobicContact CG1-CE2 3.62Å
223I95.9Very high94.6Very high0 Ų043 Ų430%025%0.245CC..EExtended strand (participates in β ladder)trans-110.4114176.3-55.188.7000108.6I165 F166 T168 L183 L198 Y200 F225 F247 L251I165-I223 CarbonylContact C-O 3.59Å; I165-I223 WeakPolarHBondContact CA-O 3.43Å; F166-I223 HydrophobicContact CB-CB 4.47Å; F166-I223 PolarHBondContact N-O 2.91Å; F166-I223 PolarHBondContact O-N 2.72Å; T168-I223 HydrophobicContact CG2-CD1 3.52Å; L183-I223 HydrophobicContact CD1-CD1 4.31Å; L183-I223 HydrophobicContact CD1-CG1 3.83Å; L183-I223 HydrophobicContact CD2-CG1 3.7Å; L183-I223 HydrophobicContact CD2-CG2 4.15Å; L183-I223 HydrophobicContact CG-CG1 4.46Å; L198-I223 HydrophobicContact CD1-CG2 3.65Å; L198-I223 HydrophobicContact CD2-CG2 4.1Å; L198-I223 HydrophobicContact CG-CG2 3.83Å; Y200-I223 HydrophobicContact CD2-CG1 4.19Å; I223-F225 HydrophobicContact CG2-CD2 4.18Å; I223-F225 HydrophobicContact CG2-CE2 3.81Å; I223-F247 HydrophobicContact CB-CE1 3.96Å; I223-F247 HydrophobicContact CB-CZ 4.42Å; I223-F247 HydrophobicContact CD1-CE1 4.44Å; I223-F247 HydrophobicContact CG1-CE1 4.07Å; I223-F247 HydrophobicContact CG1-CZ 4.34Å; I223-F247 HydrophobicContact CG2-CE1 3.68Å; I223-F247 HydrophobicContact CG2-CZ 3.77Å; I223-L251 HydrophobicContact CD1-CD2 4.38Å
224T96Very high95.2Very high14 Ų1439.8 Ų39.89%0.08623%0.231CC..EExtended strand (participates in β ladder)trans-105117.7-179.9-57.20000110.2V164 I165 L198 I199 V226V164-T224 CarbonylContact O-C 3.37Å; V164-T224 WeakPolarHBondContact O-CA 3.1Å; I165-T224 HydrophobicContact CG1-CG2 3.91Å; L198-T224 CarbonylContact C-O 3.55Å; L198-T224 WeakPolarHBondContact CA-O 3.4Å; I199-T224 PolarHBondContact N-O 2.83Å; I199-T224 PolarHBondContact O-N 2.85Å; T224-V226 HydrophobicContact CG2-CG2 4.48Å
225F96.6Very high95.4Very high28 Ų2846.9 Ų46.912%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-93.2130.3167.2-77.9-93.8000110.2T163 V164 F166 P196 L198 I223 I244 F247T163-F225 VanDerWaalsContact CA-O 3.32Å; T163-F225 WeakPolarHBondContact CA-O 3.38Å; V164-F225 HydrophobicContact CB-CB 4.36Å; V164-F225 PolarHBondContact N-O 2.82Å; V164-F225 PolarHBondContact O-N 3.09Å; F166-F225 HydrophobicContact CD2-CD2 4.25Å; F166-F225 HydrophobicContact CD2-CE2 4.41Å; F166-F225 HydrophobicContact CE2-CD2 4.21Å; F166-F225 HydrophobicContact CE2-CE2 4.4Å; P196-F225 HydrophobicContact CB-CD1 4.15Å; L198-F225 HydrophobicContact CD1-CE1 3.86Å; L198-F225 HydrophobicContact CD1-CE2 3.87Å; L198-F225 HydrophobicContact CD1-CZ 3.49Å; L198-F225 VanDerWaalsContact CD1-CZ 3.49Å; I223-F225 HydrophobicContact CG2-CD2 4.18Å; I223-F225 HydrophobicContact CG2-CE2 3.81Å; F225-I244 HydrophobicContact CB-CD1 3.94Å; F225-I244 HydrophobicContact CD1-CD1 3.86Å; F225-I244 HydrophobicContact CD2-CD1 3.55Å; F225-I244 HydrophobicContact CE1-CD1 4.21Å; F225-I244 HydrophobicContact CE2-CD1 3.94Å; F225-I244 HydrophobicContact CG-CD1 3.5Å; F225-I244 VanDerWaalsContact CG-CD1 3.5Å; F225-I244 HydrophobicContact CZ-CD1 4.23Å; F225-F247 HydrophobicContact CE2-CB 4.45Å; F225-F247 AromaticContact CE2-CD1 3.61Å; F225-F247 HydrophobicContact CE2-CD1 3.61Å; F225-F247 AromaticContact CE2-CD2 3.78Å; F225-F247 HydrophobicContact CE2-CD2 3.78Å; F225-F247 AromaticContact CE2-CE1 3.72Å; F225-F247 HydrophobicContact CE2-CE1 3.72Å; F225-F247 AromaticContact CE2-CE2 3.87Å; F225-F247 HydrophobicContact CE2-CE2 3.87Å; F225-F247 AromaticContact CE2-CG 3.63Å; F225-F247 HydrophobicContact CE2-CG 3.63Å; F225-F247 AromaticContact CE2-CZ 3.84Å; F225-F247 HydrophobicContact CE2-CZ 3.84Å; F225-F247 HydrophobicContact CZ-CD1 4.21Å; F225-F247 AromaticContact CZ-CD2 3.48Å; F225-F247 HydrophobicContact CZ-CD2 3.48Å; F225-F247 VanDerWaalsContact CZ-CD2 3.48Å; F225-F247 HydrophobicContact CZ-CE1 4.31Å; F225-F247 AromaticContact CZ-CE2 3.59Å; F225-F247 HydrophobicContact CZ-CE2 3.59Å; F225-F247 AromaticContact CZ-CG 3.81Å; F225-F247 HydrophobicContact CZ-CG 3.81Å; F225-F247 HydrophobicContact CZ-CZ 4.01Å
226V95.9Very high95.6Very high5 Ų543 Ų433%0.0325%0.254CS..EExtended strand (participates in β ladder)trans-105.2105.3170-173.10000108.7R161 T163 Q197 I199 T224 L228R161-V226 HydrophobicContact CB-CG1 3.95Å; R161-V226 HydrophobicContact CG-CG1 4.25Å; T163-V226 HydrophobicContact CG2-CG2 4.37Å; Q197-V226 HydrophobicContact CB-CB 4.06Å; Q197-V226 HydrophobicContact CB-CG2 4.29Å; Q197-V226 PolarHBondContact N-O 2.99Å; Q197-V226 PolarHBondContact O-N 3.39Å; I199-V226 HydrophobicContact CD1-CG2 4.44Å; T224-V226 HydrophobicContact CG2-CG2 4.48Å; V226-L228 HydrophobicContact CG1-CD2 4.35Å
227L97.4Very high95.8Very high3 Ų340.5 Ų40.52%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-92.3127.1177.4-54.5177.2000109.3F130 R161 V162 V164 P196 H231 T232 T240F130-L227 HydrophobicContact CE1-CD1 3.81Å; F130-L227 HydrophobicContact CZ-CD1 3.9Å; R161-L227 CarbonylContact C-O 3.59Å; R161-L227 VanDerWaalsContact CA-O 3.23Å; R161-L227 WeakPolarHBondContact CA-O 3.44Å; R161-L227 WeakPolarHBondContact CB-O 3.37Å; V162-L227 HydrophobicContact CB-CB 4.35Å; V162-L227 PolarHBondContact N-O 2.83Å; V162-L227 WeakPolarHBondContact O-CB 3.24Å; V162-L227 PolarHBondContact O-N 3.33Å; V164-L227 HydrophobicContact CG2-CD1 3.99Å; P196-L227 HydrophobicContact CB-CD2 3.93Å; P196-L227 HydrophobicContact CG-CD2 3.72Å; L227-H231 HydrophobicContact CB-CB 4.27Å; L227-H231 HydrophobicContact CD2-CB 4.35Å; L227-T232 HydrophobicContact CB-CG2 3.98Å; L227-T240 HydrophobicContact CD1-CG2 3.93Å; L227-T240 HydrophobicContact CD2-CG2 4.17Å
228L96.7Very high95.9Very high59 Ų5943.1 Ų43.131%0.30924%0.243SC..  trans-97.2170.5178.6-60.1-178.9000109.9R161 V226 G230 H231 T232R161-L228 HydrophobicContact CB-CD2 4.22Å; V226-L228 HydrophobicContact CG1-CD2 4.35Å; L228-G230 PolarHBondContact O-N 3.14Å; L228-H231 PolarHBondContact N-ND1 2.88Å; L228-H231 WeakPolarHBondContact O-CA 3.28Å; L228-H231 WeakPolarHBondContact O-CB 3.14Å; L228-H231 PolarHBondContact O-N 2.9Å; L228-T232 PolarHBondContact O-N 2.89Å; L228-T232 PolarHBondContact O-OG1 2.98Å
229P96.8Very high96.1Very high67 Ų6741.2 Ų41.244%0.43523%0.232SC..Hα-helixtrans-55.1-29-180-28.236.6000114D160 H231 T232 N233D160-P229 WeakPolarHBondContact O-CD 3.29Å; P229-H231 PolarHBondContact O-N 2.71Å; P229-T232 WeakPolarHBondContact CA-OG1 3.3Å; P229-T232 PolarHBondContact O-N 3.08Å; P229-N233 WeakPolarHBondContact O-CB 3.11Å; P229-N233 PolarHBondContact O-N 2.91Å; P229-N233 VanDerWaalsContact O-N 3.12Å; P229-N233 PolarHBondContact O-ND2 2.67Å
230G95.7Very high96.3Very high47 Ų4737.8 Ų37.849%0.48521%0.214SC..Hα-helixtrans-61.5-21.7172.400000114.6L228 N233 S236L228-G230 PolarHBondContact O-N 3.14Å; G230-N233 WeakPolarHBondContact CA-ND2 3.3Å; G230-N233 PolarHBondContact O-ND2 3.2Å; G230-S236 PolarHBondContact O-OG 3.17Å
231H97.2Very high96.5Very high26 Ų2637.6 Ų37.612%0.1221%0.214CC..Hα-helixtrans-100.7-28.4179.9-47.1141000112.8T194 L227 L228 P229 T240T194-H231 PolarHBondContact O-NE2 3.33Å; L227-H231 HydrophobicContact CB-CB 4.27Å; L227-H231 HydrophobicContact CD2-CB 4.35Å; L228-H231 PolarHBondContact N-ND1 2.88Å; L228-H231 WeakPolarHBondContact O-CA 3.28Å; L228-H231 WeakPolarHBondContact O-CB 3.14Å; L228-H231 PolarHBondContact O-N 2.9Å; P229-H231 PolarHBondContact O-N 2.71Å; H231-T240 HydrophobicContact CB-CG2 4.36Å; H231-T240 WeakPolarHBondContact O-CB 3.17Å; H231-T240 PolarHBondContact O-OG1 3.37Å
232T97.7Very high96.6Very high3 Ų338.8 Ų38.82%0.01822%0.22CC..Hα-helixtrans-97.4-10.9-173.158.10000113.6F130 Q133 V162 L227 L228 P229 R237F130-T232 HydrophobicContact CD1-CG2 3.58Å; F130-T232 HydrophobicContact CD2-CG2 4.3Å; F130-T232 HydrophobicContact CE1-CG2 3.74Å; F130-T232 HydrophobicContact CE2-CG2 4.43Å; F130-T232 HydrophobicContact CG-CG2 3.88Å; F130-T232 HydrophobicContact CZ-CG2 4.17Å; Q133-T232 PolarHBondContact OE1-OG1 2.65Å; V162-T232 HydrophobicContact CB-CG2 4.25Å; V162-T232 HydrophobicContact CG2-CG2 4.01Å; L227-T232 HydrophobicContact CB-CG2 3.98Å; L228-T232 PolarHBondContact O-N 2.89Å; L228-T232 PolarHBondContact O-OG1 2.98Å; P229-T232 WeakPolarHBondContact CA-OG1 3.3Å; P229-T232 PolarHBondContact O-N 3.08Å; T232-R237 PolarHBondContact O-NE 3.08Å; T232-R237 PolarHBondContact O-NH2 2.77Å
233N96.1Very high96.7Very high37 Ų3742.8 Ų42.820%0.19824%0.241CC..SBendtrans-58.8157.9178.861.564.8000113.2P229 G230 Q235 S236 R237P229-N233 WeakPolarHBondContact O-CB 3.11Å; P229-N233 PolarHBondContact O-N 2.91Å; P229-N233 VanDerWaalsContact O-N 3.12Å; P229-N233 PolarHBondContact O-ND2 2.67Å; G230-N233 WeakPolarHBondContact CA-ND2 3.3Å; G230-N233 PolarHBondContact O-ND2 3.2Å; N233-Q235 PolarHBondContact O-N 3.1Å; N233-Q235 VanDerWaalsContact O-N 3.11Å; N233-Q235 PolarHBondContact OD1-N 3.19Å; N233-Q235 PolarHBondContact OD1-OE1 3.3Å; N233-S236 PolarHBondContact O-N 3.17Å; N233-S236 VanDerWaalsContact O-N 3.12Å; N233-S236 VanDerWaalsContact OD1-CB 3.29Å; N233-S236 WeakPolarHBondContact OD1-CB 3.3Å; N233-S236 PolarHBondContact OD1-N 2.8Å; N233-S236 PolarHBondContact OD1-OG 3.21Å; N233-R237 WeakPolarHBondContact O-CB 3.41Å; N233-R237 PolarHBondContact O-N 3.41Å
234P96.1Very high96.7Very high63 Ų6343.1 Ų43.141%0.40924%0.242SC..THydrogen-bonded Turntrans-51.4-32.9179.1-28.635.5000115.4
235Q96.7Very high96.8Very high161 Ų16143 Ų4375%0.75224%0.241SC*.THydrogen-bonded Turntrans-77.5-29.1-176.9-60.677.213.500112.7N233N233-Q235 PolarHBondContact O-N 3.1Å; N233-Q235 VanDerWaalsContact O-N 3.11Å; N233-Q235 PolarHBondContact OD1-N 3.19Å; N233-Q235 PolarHBondContact OD1-OE1 3.3Å
236S96.1Very high96.7Very high41 Ų4142.2 Ų42.229%0.28724%0.238SC..THydrogen-bonded Turntrans-109.1-17.5-172.3-510000113.3G230 N233 D238 N239 T240G230-S236 PolarHBondContact O-OG 3.17Å; N233-S236 PolarHBondContact O-N 3.17Å; N233-S236 VanDerWaalsContact O-N 3.12Å; N233-S236 VanDerWaalsContact OD1-CB 3.29Å; N233-S236 WeakPolarHBondContact OD1-CB 3.3Å; N233-S236 PolarHBondContact OD1-N 2.8Å; N233-S236 PolarHBondContact OD1-OG 3.21Å; S236-D238 VanDerWaalsContact C-N 3.32Å; S236-D238 PolarHBondContact O-N 3.25Å; S236-N239 PolarHBondContact O-N 3.35Å; S236-T240 PolarHBondContact O-N 3.31Å; S236-T240 PolarHBondContact O-OG1 2.85Å
237R96.5Very high96.8Very high37 Ų3742.7 Ų42.714%0.1424%0.239CC..Hα-helixtrans-56.8-40.7-170.761.2179.358.3166.43.5113.7F130 E134 T232 N233 T240 I241F130-R237 HydrophobicContact CD2-CB 3.75Å; F130-R237 HydrophobicContact CE2-CB 3.97Å; E134-R237 IonicContact OE2-NH2 2.96Å; E134-R237 PolarHBondContact OE2-NH2 3.47Å; T232-R237 PolarHBondContact O-NE 3.08Å; T232-R237 PolarHBondContact O-NH2 2.77Å; N233-R237 WeakPolarHBondContact O-CB 3.41Å; N233-R237 PolarHBondContact O-N 3.41Å; R237-T240 PolarHBondContact O-N 3.02Å; R237-I241 WeakPolarHBondContact O-CB 3.31Å; R237-I241 VanDerWaalsContact O-CG1 3.23Å; R237-I241 WeakPolarHBondContact O-CG1 3.42Å; R237-I241 PolarHBondContact O-N 3.42Å
238D96.4Very high96.7Very high81 Ų8144.1 Ų44.143%0.43325%0.245SC..Hα-helixtrans-64.2-45.5-177.5-85.3-40.4000112.3R119 S236 T240 I241 D242R119-D238 IonicContact CZ-OD1 3.9Å; R119-D238 IonicContact NH1-OD1 2.74Å; R119-D238 PolarHBondContact NH2-O 3.25Å; R119-D238 VanDerWaalsContact NH2-O 3.15Å; R119-D238 IonicContact NH2-OD1 2.75Å; R119-D238 PolarHBondContact NH2-OD1 2.99Å; S236-D238 VanDerWaalsContact C-N 3.32Å; S236-D238 PolarHBondContact O-N 3.25Å; D238-T240 VanDerWaalsContact C-N 3.35Å; D238-I241 PolarHBondContact O-N 3.48Å; D238-D242 PolarHBondContact O-N 2.97Å
239N96.8Very high96.7Very high100 Ų10041.5 Ų41.554%0.53523%0.231SC..Hα-helixtrans-67.2-38.2176.4-179.667.8000111.4S236 I241 D242 L243S236-N239 PolarHBondContact O-N 3.35Å; N239-I241 VanDerWaalsContact C-N 3.33Å; N239-I241 PolarHBondContact O-N 2.96Å; N239-D242 PolarHBondContact O-N 2.83Å; N239-L243 WeakPolarHBondContact O-CG 3.47Å; N239-L243 PolarHBondContact O-N 3.48Å
240T97.8Very high96.7Very high18 Ų1840.5 Ų40.511%0.1122%0.219CC..Hα-helixtrans-60.6-44.4173.9-62.30000111.1F130 L227 H231 S236 R237 D238 L243 I244F130-T240 HydrophobicContact CE2-CG2 4.3Å; F130-T240 HydrophobicContact CZ-CG2 3.95Å; L227-T240 HydrophobicContact CD1-CG2 3.93Å; L227-T240 HydrophobicContact CD2-CG2 4.17Å; H231-T240 HydrophobicContact CB-CG2 4.36Å; H231-T240 WeakPolarHBondContact O-CB 3.17Å; H231-T240 PolarHBondContact O-OG1 3.37Å; S236-T240 PolarHBondContact O-N 3.31Å; S236-T240 PolarHBondContact O-OG1 2.85Å; R237-T240 PolarHBondContact O-N 3.02Å; D238-T240 VanDerWaalsContact C-N 3.35Å; T240-L243 PolarHBondContact O-N 3.4Å; T240-I244 WeakPolarHBondContact O-CB 3.34Å; T240-I244 VanDerWaalsContact O-CG2 3.24Å; T240-I244 WeakPolarHBondContact O-CG2 3.24Å; T240-I244 PolarHBondContact O-N 3.3Å
241I98Very high96.7Very high0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-62.3-45.2176.8-70.4168.4000110.4A123 F126 E127 F130 R237 D238 N239 L243 I244 H245A123-I241 HydrophobicContact CB-CD1 4.36Å; A123-I241 HydrophobicContact CB-CG2 4.04Å; F126-I241 HydrophobicContact CB-CD1 3.89Å; F126-I241 HydrophobicContact CB-CG1 3.65Å; F126-I241 HydrophobicContact CD2-CG1 4.28Å; F126-I241 HydrophobicContact CD2-CG2 4.13Å; F126-I241 HydrophobicContact CG-CG1 4.18Å; E127-I241 HydrophobicContact CG-CD1 4.02Å; F130-I241 HydrophobicContact CE2-CD1 4.23Å; F130-I241 HydrophobicContact CE2-CG1 3.94Å; F130-I241 HydrophobicContact CZ-CG1 4.4Å; R237-I241 WeakPolarHBondContact O-CB 3.31Å; R237-I241 VanDerWaalsContact O-CG1 3.23Å; R237-I241 WeakPolarHBondContact O-CG1 3.42Å; R237-I241 PolarHBondContact O-N 3.42Å; D238-I241 PolarHBondContact O-N 3.48Å; N239-I241 VanDerWaalsContact C-N 3.33Å; N239-I241 PolarHBondContact O-N 2.96Å; I241-L243 VanDerWaalsContact C-N 3.31Å; I241-L243 PolarHBondContact O-N 3.48Å; I241-I244 PolarHBondContact O-N 3.38Å; I241-H245 PolarHBondContact O-N 3.32Å; I241-H245 VanDerWaalsContact O-N 3.08Å; I241-H245 PolarHBondContact O-ND1 2.88Å
242D97Very high96.6Very high24 Ų2437.8 Ų37.813%0.12819%0.194CC..Hα-helixtrans-55.3-46.3178-74.74.5000111.7C6 R116 R119 D238 N239 H245C6-D242 PolarHBondContact SG-O 3.2Å; C6-D242 VanDerWaalsContact SG-O 3.41Å; R116-D242 IonicContact CZ-OD1 3.83Å; R116-D242 IonicContact CZ-OD2 3.51Å; R116-D242 IonicContact NH1-OD2 3.58Å; R116-D242 PolarHBondContact NH1-OD2 2.95Å; R116-D242 IonicContact NH2-OD1 3.8Å; R116-D242 PolarHBondContact NH2-OD1 3.44Å; R116-D242 IonicContact NH2-OD2 2.75Å; R116-D242 PolarHBondContact NH2-OD2 3Å; R119-D242 IonicContact CZ-OD1 2.75Å; R119-D242 IonicContact NE-OD1 3.49Å; R119-D242 PolarHBondContact NE-OD1 2.96Å; R119-D242 IonicContact NH2-OD1 3.88Å; R119-D242 PolarHBondContact NH2-OD1 3.47Å; R119-D242 VanDerWaalsContact NH2-OD1 3.14Å; D238-D242 PolarHBondContact O-N 2.97Å; N239-D242 PolarHBondContact O-N 2.83Å; D242-H245 PolarHBondContact O-CE1 3.29Å; D242-H245 PolarHBondContact O-ND1 3.23Å
243L96.9Very high96.6Very high84 Ų8441.3 Ų41.344%0.4421%0.207SC..Hα-helixtrans-74.2-45.7-179.9-64.8173.3000112.7L3 N239 T240 I241 M246 F247L3-L243 HydrophobicContact CD1-CD2 4.24Å; L3-L243 HydrophobicContact CD2-CD2 4.34Å; N239-L243 WeakPolarHBondContact O-CG 3.47Å; N239-L243 PolarHBondContact O-N 3.48Å; T240-L243 PolarHBondContact O-N 3.4Å; I241-L243 VanDerWaalsContact C-N 3.31Å; I241-L243 PolarHBondContact O-N 3.48Å; L243-M246 PolarHBondContact O-N 3.4Å; L243-F247 PolarHBondContact O-N 2.92Å
244I97.2Very high96.6Very high7 Ų740.9 Ų40.94%0.03620%0.204CC..Hα-helixtrans-71-39.5-170.5-161.465.9000111.8F126 V164 F166 F225 T240 I241 M246 F247F126-I244 HydrophobicContact CD1-CG2 4.1Å; F126-I244 HydrophobicContact CD2-CG2 4.43Å; F126-I244 HydrophobicContact CE1-CG1 4.48Å; F126-I244 HydrophobicContact CE1-CG2 3.74Å; F126-I244 HydrophobicContact CE2-CG2 4.1Å; F126-I244 HydrophobicContact CG-CG2 4.43Å; F126-I244 HydrophobicContact CZ-CG2 3.74Å; V164-I244 HydrophobicContact CB-CG1 4.41Å; V164-I244 HydrophobicContact CG1-CG1 4.12Å; V164-I244 HydrophobicContact CG2-CG1 4.45Å; F166-I244 HydrophobicContact CE2-CD1 3.94Å; F166-I244 HydrophobicContact CE2-CG1 4.08Å; F166-I244 HydrophobicContact CZ-CG1 4.24Å; F166-I244 VanDerWaalsContact CZ-O 3.26Å; F166-I244 WeakPolarHBondContact CZ-O 3.36Å; F225-I244 HydrophobicContact CB-CD1 3.94Å; F225-I244 HydrophobicContact CD1-CD1 3.86Å; F225-I244 HydrophobicContact CD2-CD1 3.55Å; F225-I244 HydrophobicContact CE1-CD1 4.21Å; F225-I244 HydrophobicContact CE2-CD1 3.94Å; F225-I244 HydrophobicContact CG-CD1 3.5Å; F225-I244 VanDerWaalsContact CG-CD1 3.5Å; F225-I244 HydrophobicContact CZ-CD1 4.23Å; T240-I244 WeakPolarHBondContact O-CB 3.34Å; T240-I244 VanDerWaalsContact O-CG2 3.24Å; T240-I244 WeakPolarHBondContact O-CG2 3.24Å; T240-I244 PolarHBondContact O-N 3.3Å; I241-I244 PolarHBondContact O-N 3.38Å; I244-M246 PolarHBondContact O-N 3.2Å; I244-F247 WeakPolarHBondContact O-CB 3.45Å; I244-F247 PolarHBondContact O-N 3.1Å
245H96.3Very high96.6Very high12 Ų1237.9 Ų37.96%0.05619%0.185CC..Hα-helixtrans-69.1-25.7-179.386.5-77.4000112.3R119 F122 F126 I241 D242R119-H245 VanDerWaalsContact CG-CE1 3.46Å; R119-H245 WeakPolarHBondContact CG-CE1 3.39Å; F122-H245 HydrophobicContact CB-CB 4.29Å; F122-H245 HydrophobicContact CG-CB 4.49Å; F126-H245 HydrophobicContact CE2-CB 3.98Å; F126-H245 HydrophobicContact CZ-CB 4.49Å; I241-H245 PolarHBondContact O-N 3.32Å; I241-H245 VanDerWaalsContact O-N 3.08Å; I241-H245 PolarHBondContact O-ND1 2.88Å; D242-H245 PolarHBondContact O-CE1 3.29Å; D242-H245 PolarHBondContact O-ND1 3.23Å
246M96.2Very high96.6Very high11 Ų1135.5 Ų35.55%0.05417%0.172CC..Hα-helixtrans-90.7-4.9176.6-69.5-57.4-78.700114I4 F38 L243 I244 R248 T249 Y250I4-M246 HydrophobicContact CB-CE 3.9Å; I4-M246 HydrophobicContact CG2-CE 3.34Å; F38-M246 HydrophobicContact CD2-CE 4.05Å; F38-M246 HydrophobicContact CE2-CE 4.23Å; L243-M246 PolarHBondContact O-N 3.4Å; I244-M246 PolarHBondContact O-N 3.2Å; M246-R248 PolarHBondContact O-N 3.12Å; M246-T249 HydrophobicContact CE-CG2 4.35Å; M246-T249 PolarHBondContact O-N 3.41Å; M246-T249 VanDerWaalsContact O-N 3.14Å; M246-Y250 WeakPolarHBondContact O-CB 3.21Å; M246-Y250 PolarHBondContact O-N 3.39Å
247F96.2Very high96.7Very high15 Ų1535.9 Ų35.97%0.06617%0.174CC..Hα-helixtrans-54.8-47.1-172.8169.9-102.8000113.2F166 L183 L198 I223 F225 L243 I244 T249 Y250 L251F166-F247 AromaticContact CD2-CD1 3.81Å; F166-F247 HydrophobicContact CD2-CD1 3.81Å; F166-F247 HydrophobicContact CD2-CE1 4.41Å; F166-F247 HydrophobicContact CE2-CB 4.34Å; F166-F247 HydrophobicContact CE2-CD1 4.02Å; F166-F247 HydrophobicContact CG-CD1 4.32Å; L183-F247 HydrophobicContact CD2-CZ 4.08Å; L198-F247 HydrophobicContact CD1-CE2 4.47Å; L198-F247 HydrophobicContact CD1-CZ 4.37Å; I223-F247 HydrophobicContact CB-CE1 3.96Å; I223-F247 HydrophobicContact CB-CZ 4.42Å; I223-F247 HydrophobicContact CD1-CE1 4.44Å; I223-F247 HydrophobicContact CG1-CE1 4.07Å; I223-F247 HydrophobicContact CG1-CZ 4.34Å; I223-F247 HydrophobicContact CG2-CE1 3.68Å; I223-F247 HydrophobicContact CG2-CZ 3.77Å; F225-F247 HydrophobicContact CE2-CB 4.45Å; F225-F247 AromaticContact CE2-CD1 3.61Å; F225-F247 HydrophobicContact CE2-CD1 3.61Å; F225-F247 AromaticContact CE2-CD2 3.78Å; F225-F247 HydrophobicContact CE2-CD2 3.78Å; F225-F247 AromaticContact CE2-CE1 3.72Å; F225-F247 HydrophobicContact CE2-CE1 3.72Å; F225-F247 AromaticContact CE2-CE2 3.87Å; F225-F247 HydrophobicContact CE2-CE2 3.87Å; F225-F247 AromaticContact CE2-CG 3.63Å; F225-F247 HydrophobicContact CE2-CG 3.63Å; F225-F247 AromaticContact CE2-CZ 3.84Å; F225-F247 HydrophobicContact CE2-CZ 3.84Å; F225-F247 HydrophobicContact CZ-CD1 4.21Å; F225-F247 AromaticContact CZ-CD2 3.48Å; F225-F247 HydrophobicContact CZ-CD2 3.48Å; F225-F247 VanDerWaalsContact CZ-CD2 3.48Å; F225-F247 HydrophobicContact CZ-CE1 4.31Å; F225-F247 AromaticContact CZ-CE2 3.59Å; F225-F247 HydrophobicContact CZ-CE2 3.59Å; F225-F247 AromaticContact CZ-CG 3.81Å; F225-F247 HydrophobicContact CZ-CG 3.81Å; F225-F247 HydrophobicContact CZ-CZ 4.01Å; L243-F247 PolarHBondContact O-N 2.92Å; I244-F247 WeakPolarHBondContact O-CB 3.45Å; I244-F247 PolarHBondContact O-N 3.1Å; F247-T249 VanDerWaalsContact C-N 3.33Å; F247-T249 PolarHBondContact O-N 2.91Å; F247-Y250 WeakPolarHBondContact O-CB 3.39Å; F247-Y250 PolarHBondContact O-N 3.36Å; F247-L251 HydrophobicContact CE1-CD2 4.37Å; F247-L251 HydrophobicContact CZ-CB 4.39Å; F247-L251 HydrophobicContact CZ-CD2 4.22Å; F247-L251 PolarHBondContact O-N 3.49Å
248R96.1Very high96.7Very high33 Ų3336 Ų3613%0.12518%0.179CC..Hα-helixtrans-60.3-45.6-179.5-179.4-90.7-177.4-164.7-6.7111.1D39 Y147 R148 E151 M246 Y250 L251 H252D39-R248 IonicContact OD1-NH1 2.86Å; Y147-R248 HydrophobicContact CE2-CB 4.36Å; Y147-R248 HydrophobicContact CE2-CG 3.9Å; R148-R248 VanDerWaalsContact CD-CZ 3.43Å; E151-R248 IonicContact OE1-CZ 3.1Å; E151-R248 VanDerWaalsContact OE1-CZ 3.29Å; E151-R248 IonicContact OE1-NE 2.96Å; E151-R248 PolarHBondContact OE1-NE 2.88Å; E151-R248 VanDerWaalsContact OE1-NE 3.14Å; E151-R248 IonicContact OE1-NH2 2.65Å; E151-R248 PolarHBondContact OE1-NH2 2.75Å; E151-R248 WeakPolarHBondContact OE2-CG 3.47Å; E151-R248 IonicContact OE2-CZ 3.72Å; E151-R248 IonicContact OE2-NE 2.67Å; E151-R248 PolarHBondContact OE2-NE 3.08Å; E151-R248 IonicContact OE2-NH2 3.29Å; M246-R248 PolarHBondContact O-N 3.12Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; R248-L251 PolarHBondContact O-N 2.8Å; R248-H252 PolarHBondContact O-CD2 2.9Å; R248-H252 PolarHBondContact O-N 3.43Å; R248-H252 VanDerWaalsContact O-N 3.09Å
249T96.6Very high96.7Very high5 Ų534.7 Ų34.73%0.03117%0.169CC..Hα-helixtrans-63.4-42.9177.3-56.60000110.8I4 F38 M246 F247 L251 H252 Y253I4-T249 HydrophobicContact CD1-CG2 3.5Å; F38-T249 HydrophobicContact CB-CG2 4.12Å; F38-T249 HydrophobicContact CD1-CG2 3.43Å; F38-T249 VanDerWaalsContact CD1-CG2 3.43Å; F38-T249 HydrophobicContact CD2-CG2 3.65Å; F38-T249 HydrophobicContact CE1-CG2 3.6Å; F38-T249 HydrophobicContact CE2-CG2 3.81Å; F38-T249 HydrophobicContact CG-CG2 3.45Å; F38-T249 VanDerWaalsContact CG-CG2 3.45Å; F38-T249 HydrophobicContact CZ-CG2 3.77Å; M246-T249 HydrophobicContact CE-CG2 4.35Å; M246-T249 PolarHBondContact O-N 3.41Å; M246-T249 VanDerWaalsContact O-N 3.14Å; F247-T249 VanDerWaalsContact C-N 3.33Å; F247-T249 PolarHBondContact O-N 2.91Å; T249-L251 PolarHBondContact O-N 3.38Å; T249-H252 PolarHBondContact O-N 3.08Å; T249-Y253 WeakPolarHBondContact O-CB 3.36Å; T249-Y253 PolarHBondContact O-N 3.28Å
250Y96.8Very high96.7Very high46 Ų4632.6 Ų32.618%0.1817%0.166CC..Hα-helixtrans-56.8-49.3175.4171.6-86.1000111.9I2 L3 F186 M246 F247 R248 Y253 H254I2-Y250 HydrophobicContact CG2-CE2 4.46Å; I2-Y250 VanDerWaalsContact O-CE2 3.28Å; I2-Y250 WeakPolarHBondContact O-CE2 3.34Å; L3-Y250 HydrophobicContact CD2-CD2 4.23Å; L3-Y250 HydrophobicContact CD2-CE2 3.9Å; F186-Y250 AromaticContact CZ-CE1 3.91Å; F186-Y250 HydrophobicContact CZ-CE1 3.91Å; M246-Y250 WeakPolarHBondContact O-CB 3.21Å; M246-Y250 PolarHBondContact O-N 3.39Å; F247-Y250 WeakPolarHBondContact O-CB 3.39Å; F247-Y250 PolarHBondContact O-N 3.36Å; R248-Y250 VanDerWaalsContact C-N 3.34Å; Y250-Y253 PolarHBondContact O-N 3.49Å; Y250-H254 AromaticContact CD1-CD2 3.98Å; Y250-H254 AromaticContact CD2-CD2 3.53Å; Y250-H254 AromaticContact CD2-NE2 3.59Å; Y250-H254 AromaticContact CE1-CD2 3.69Å; Y250-H254 AromaticContact CE2-CD2 3.24Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.35Å; Y250-H254 AromaticContact CE2-NE2 3.1Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.41Å; Y250-H254 AromaticContact CG-CD2 3.89Å; Y250-H254 AromaticContact CZ-CD2 3.31Å; Y250-H254 AromaticContact CZ-NE2 3.53Å; Y250-H254 PolarHBondContact O-CD2 3.1Å; Y250-H254 VanDerWaalsContact O-CD2 3.25Å; Y250-H254 PolarHBondContact O-N 3.08Å
251L95.8Very high96.7Very high1 Ų138.2 Ų38.21%0.00519%0.186CC..Hα-helixtrans-59.5-52.2179.1178.162.5000111.1F170 F182 L183 I223 F247 R248 T249 Y253 H254 I255F170-L251 HydrophobicContact CZ-CD2 4.38Å; F182-L251 HydrophobicContact CB-CD1 4.09Å; L183-L251 HydrophobicContact CD1-CD2 4.43Å; L183-L251 HydrophobicContact CD2-CD1 4.45Å; L183-L251 HydrophobicContact CD2-CD2 4.33Å; I223-L251 HydrophobicContact CD1-CD2 4.38Å; F247-L251 HydrophobicContact CE1-CD2 4.37Å; F247-L251 HydrophobicContact CZ-CB 4.39Å; F247-L251 HydrophobicContact CZ-CD2 4.22Å; F247-L251 PolarHBondContact O-N 3.49Å; R248-L251 PolarHBondContact O-N 2.8Å; T249-L251 PolarHBondContact O-N 3.38Å; L251-Y253 VanDerWaalsContact C-N 3.3Å; L251-Y253 PolarHBondContact O-N 3.4Å; L251-H254 PolarHBondContact O-N 2.89Å; L251-I255 HydrophobicContact CD1-CD1 4.12Å; L251-I255 HydrophobicContact CD1-CG1 4.48Å; L251-I255 HydrophobicContact CG-CD1 4.02Å; L251-I255 VanDerWaalsContact O-CG1 3.3Å; L251-I255 WeakPolarHBondContact O-CG1 3.1Å; L251-I255 PolarHBondContact O-N 3.45Å
252H95.8Very high96.7Very high14 Ų1442 Ų427%0.06521%0.206CC..Hα-helixtrans-66.6-29.9-178.6-85.3-88.3000113.4T168 T169 R248 T249 K256T168-H252 PolarHBondContact OG1-NE2 2.98Å; T168-H252 VanDerWaalsContact OG1-NE2 3.08Å; T169-H252 PolarHBondContact O-CE1 3Å; T169-H252 VanDerWaalsContact O-CE1 3.32Å; R248-H252 PolarHBondContact O-CD2 2.9Å; R248-H252 PolarHBondContact O-N 3.43Å; R248-H252 VanDerWaalsContact O-N 3.09Å; T249-H252 PolarHBondContact O-N 3.08Å; H252-K256 WeakPolarHBondContact O-CG 3.35Å; H252-K256 PolarHBondContact O-N 3.17Å; H252-K256 PolarHBondContact O-NZ 3.44Å; H252-K256 VanDerWaalsContact O-NZ 3.08Å
253Y96.9Very high96.7Very high78 Ų7845.9 Ų45.931%0.30622%0.223SC..Hα-helixtrans-66.4-51.6172.7169.2-103.7000110.8M1 I4 T249 Y250 L251 I255 K256 C257M1-Y253 PolarHBondContact O-OH 3.36Å; I4-Y253 HydrophobicContact CD1-CD1 4.37Å; I4-Y253 HydrophobicContact CD1-CG 4.12Å; I4-Y253 HydrophobicContact CG1-CD1 4.44Å; T249-Y253 WeakPolarHBondContact O-CB 3.36Å; T249-Y253 PolarHBondContact O-N 3.28Å; Y250-Y253 PolarHBondContact O-N 3.49Å; L251-Y253 VanDerWaalsContact C-N 3.3Å; L251-Y253 PolarHBondContact O-N 3.4Å; Y253-I255 VanDerWaalsContact C-N 3.34Å; Y253-I255 PolarHBondContact O-N 2.65Å; Y253-K256 WeakPolarHBondContact O-CB 3.49Å; Y253-K256 PolarHBondContact O-N 2.8Å; Y253-K256 VanDerWaalsContact O-N 3.08Å; Y253-C257 PolarHBondContact O-N 3.11Å; Y253-C257 PolarHBondContact O-SG 3.47Å
254H96.7Very high96.7Very high28 Ų2845.2 Ų45.213%0.1323%0.225CC..Hα-helixtrans-68.1-30.7-177.7-80.8-64.1000113.8I2 F182 Y250 L251 C257 T258I2-H254 PolarHBondContact O-CE1 3.38Å; I2-H254 PolarHBondContact O-NE2 3.38Å; F182-H254 HydrophobicContact CE1-CB 3.9Å; F182-H254 HydrophobicContact CZ-CB 3.91Å; Y250-H254 AromaticContact CD1-CD2 3.98Å; Y250-H254 AromaticContact CD2-CD2 3.53Å; Y250-H254 AromaticContact CD2-NE2 3.59Å; Y250-H254 AromaticContact CE1-CD2 3.69Å; Y250-H254 AromaticContact CE2-CD2 3.24Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.35Å; Y250-H254 AromaticContact CE2-NE2 3.1Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.41Å; Y250-H254 AromaticContact CG-CD2 3.89Å; Y250-H254 AromaticContact CZ-CD2 3.31Å; Y250-H254 AromaticContact CZ-NE2 3.53Å; Y250-H254 PolarHBondContact O-CD2 3.1Å; Y250-H254 VanDerWaalsContact O-CD2 3.25Å; Y250-H254 PolarHBondContact O-N 3.08Å; L251-H254 PolarHBondContact O-N 2.89Å; H254-C257 PolarHBondContact O-N 3.42Å; H254-T258 WeakPolarHBondContact O-CB 3.46Å; H254-T258 PolarHBondContact O-N 3.44Å; H254-T258 PolarHBondContact O-OG1 3.43Å
255I96.4Very high96.8Very high0 Ų052.8 Ų52.80%025%0.253CS..Hα-helixtrans-59.5-48.6169-70167.6000110.2F170 D175 I178 F182 L251 Y253 C257 T258 K259F170-I255 HydrophobicContact CD1-CD1 4.31Å; F170-I255 HydrophobicContact CE1-CD1 3.75Å; D175-I255 HydrophobicContact CB-CG2 3.92Å; D175-I255 WeakPolarHBondContact OD1-CG2 3.44Å; I178-I255 HydrophobicContact CB-CG2 4.28Å; I178-I255 HydrophobicContact CG2-CB 4.38Å; I178-I255 HydrophobicContact CG2-CG1 4.14Å; I178-I255 HydrophobicContact CG2-CG2 4.09Å; F182-I255 HydrophobicContact CD2-CG1 4.26Å; F182-I255 HydrophobicContact CE2-CG1 4.48Å; L251-I255 HydrophobicContact CD1-CD1 4.12Å; L251-I255 HydrophobicContact CD1-CG1 4.48Å; L251-I255 HydrophobicContact CG-CD1 4.02Å; L251-I255 VanDerWaalsContact O-CG1 3.3Å; L251-I255 WeakPolarHBondContact O-CG1 3.1Å; L251-I255 PolarHBondContact O-N 3.45Å; Y253-I255 VanDerWaalsContact C-N 3.34Å; Y253-I255 PolarHBondContact O-N 2.65Å; I255-C257 PolarHBondContact O-N 3.26Å; I255-T258 WeakPolarHBondContact O-CB 3.34Å; I255-T258 PolarHBondContact O-N 3.26Å; I255-K259 PolarHBondContact O-N 3.22Å
256K96.6Very high96.9Very high111 Ų11156 Ų5648%0.48327%0.274SS..Hα-helixtrans-64.4-41.4178.4-69.5175.8-171.670.70112.1H252 Y253 T258 K259 A260H252-K256 WeakPolarHBondContact O-CG 3.35Å; H252-K256 PolarHBondContact O-N 3.17Å; H252-K256 PolarHBondContact O-NZ 3.44Å; H252-K256 VanDerWaalsContact O-NZ 3.08Å; Y253-K256 WeakPolarHBondContact O-CB 3.49Å; Y253-K256 PolarHBondContact O-N 2.8Å; Y253-K256 VanDerWaalsContact O-N 3.08Å; K256-T258 VanDerWaalsContact C-N 3.3Å; K256-T258 PolarHBondContact O-N 3.01Å; K256-K259 PolarHBondContact O-N 2.89Å; K256-A260 PolarHBondContact O-N 2.9Å
257C97.2Very high97Very high48 Ų4862.8 Ų62.832%0.32430%0.299SS..Hα-helixtrans-60.3-40.2174-70.50000112Y253 H254 I255 A260 Y261Y253-C257 PolarHBondContact O-N 3.11Å; Y253-C257 PolarHBondContact O-SG 3.47Å; H254-C257 PolarHBondContact O-N 3.42Å; I255-C257 PolarHBondContact O-N 3.26Å; C257-A260 PolarHBondContact O-N 2.96Å; C257-Y261 PolarHBondContact O-N 2.97Å
258T96.8Very high97.1Very high41 Ų4164.1 Ų64.125%0.25232%0.317SS..Hα-helixtrans-62.8-44.8175.7-60.20000111.3I178 F182 H254 I255 K256 A260 Y261 I262I178-T258 HydrophobicContact CG2-CG2 4.1Å; F182-T258 VanDerWaalsContact CE2-OG1 3.31Å; F182-T258 WeakPolarHBondContact CE2-OG1 3.44Å; F182-T258 VanDerWaalsContact CZ-OG1 3.24Å; F182-T258 WeakPolarHBondContact CZ-OG1 3.43Å; H254-T258 WeakPolarHBondContact O-CB 3.46Å; H254-T258 PolarHBondContact O-N 3.44Å; H254-T258 PolarHBondContact O-OG1 3.43Å; I255-T258 WeakPolarHBondContact O-CB 3.34Å; I255-T258 PolarHBondContact O-N 3.26Å; K256-T258 VanDerWaalsContact C-N 3.3Å; K256-T258 PolarHBondContact O-N 3.01Å; T258-A260 VanDerWaalsContact C-N 3.33Å; T258-A260 PolarHBondContact O-N 2.85Å; T258-Y261 PolarHBondContact O-N 2.89Å; T258-I262 HydrophobicContact CG2-CD1 4.03Å; T258-I262 WeakPolarHBondContact O-CG1 3.43Å; T258-I262 PolarHBondContact O-N 3.2Å
259K96.5Very high97.2Very high52 Ų5267 Ų6723%0.22633%0.33CS..Hα-helixtrans-58.5-44.7173.5-67.5-162.7-65.6-162.80111.8D172 D175 I178 I255 K256 Y261 I262 H263D172-K259 IonicContact OD2-NZ 3.82Å; D172-K259 PolarHBondContact OD2-NZ 3.48Å; D175-K259 WeakPolarHBondContact OD1-CD 3.49Å; D175-K259 WeakPolarHBondContact OD1-CE 3.12Å; D175-K259 IonicContact OD1-NZ 2.97Å; D175-K259 PolarHBondContact OD1-NZ 2.87Å; D175-K259 IonicContact OD2-NZ 2.76Å; D175-K259 PolarHBondContact OD2-NZ 2.94Å; D175-K259 VanDerWaalsContact OD2-NZ 3.1Å; I178-K259 HydrophobicContact CD1-CD 4.07Å; I178-K259 HydrophobicContact CD1-CG 3.55Å; I255-K259 PolarHBondContact O-N 3.22Å; K256-K259 PolarHBondContact O-N 2.89Å; K259-Y261 VanDerWaalsContact C-N 3.33Å; K259-Y261 PolarHBondContact O-N 3.41Å; K259-I262 PolarHBondContact O-N 3.02Å; K259-H263 VanDerWaalsContact O-CG 3.32Å; K259-H263 PolarHBondContact O-N 3.43Å
260A97.4Very high97.2Very high57 Ų5769.8 Ų69.847%0.47135%0.348SS..Hα-helixtrans-61.9-40.1176.900000112.5K256 C257 T258 H263 S264K256-A260 PolarHBondContact O-N 2.9Å; C257-A260 PolarHBondContact O-N 2.96Å; T258-A260 VanDerWaalsContact C-N 3.33Å; T258-A260 PolarHBondContact O-N 2.85Å; A260-H263 WeakPolarHBondContact O-CB 3.31Å; A260-H263 PolarHBondContact O-N 3.05Å; A260-S264 PolarHBondContact O-N 3.05Å
261Y97.6Very high97.3Very high136 Ų13672 Ų7253%0.53336%0.362SS..Hα-helixtrans-64.6-44.9174.9178.9-104.4000112.1C257 T258 K259 H263 S264 R265C257-Y261 PolarHBondContact O-N 2.97Å; T258-Y261 PolarHBondContact O-N 2.89Å; K259-Y261 VanDerWaalsContact C-N 3.33Å; K259-Y261 PolarHBondContact O-N 3.41Å; Y261-H263 VanDerWaalsContact C-N 3.31Å; Y261-H263 PolarHBondContact O-N 2.88Å; Y261-S264 VanDerWaalsContact O-CB 3.31Å; Y261-S264 WeakPolarHBondContact O-CB 3.48Å; Y261-S264 PolarHBondContact O-N 2.91Å; Y261-S264 VanDerWaalsContact O-N 3.07Å; Y261-R265 HydrophobicContact CD1-CG 4.41Å; Y261-R265 HydrophobicContact CE1-CG 3.94Å; Y261-R265 PolarHBondContact O-N 3.36Å; Y261-R265 PolarHBondContact OH-NE 3.29Å
262I97Very high97.4Very high80 Ų8076 Ų7641%0.4138%0.381SS..Hα-helixtrans-58-45174.2-68.6168.1000110.2T258 K259 S264 R265 V266T258-I262 HydrophobicContact CG2-CD1 4.03Å; T258-I262 WeakPolarHBondContact O-CG1 3.43Å; T258-I262 PolarHBondContact O-N 3.2Å; K259-I262 PolarHBondContact O-N 3.02Å; I262-S264 VanDerWaalsContact C-N 3.28Å; I262-S264 PolarHBondContact O-N 3.07Å; I262-R265 WeakPolarHBondContact O-CB 3.37Å; I262-R265 PolarHBondContact O-N 3.11Å; I262-R265 VanDerWaalsContact O-N 3.11Å; I262-V266 HydrophobicContact CG2-CG2 4.26Å; I262-V266 WeakPolarHBondContact O-CG2 3.5Å; I262-V266 PolarHBondContact O-N 3.38Å
263H97.3Very high97.5Very high105 Ų10580.9 Ų80.949%0.48640%0.402SS..Hα-helixtrans-57.9-40.2174.9-68.8167.7000112.5K259 A260 Y261 V266 R267K259-H263 VanDerWaalsContact O-CG 3.32Å; K259-H263 PolarHBondContact O-N 3.43Å; A260-H263 WeakPolarHBondContact O-CB 3.31Å; A260-H263 PolarHBondContact O-N 3.05Å; Y261-H263 VanDerWaalsContact C-N 3.31Å; Y261-H263 PolarHBondContact O-N 2.88Å; H263-V266 PolarHBondContact O-N 2.96Å; H263-R267 WeakPolarHBondContact O-CG 3.45Å; H263-R267 PolarHBondContact O-N 3.4Å
264S98.1Very high97.5Very high70 Ų7081.3 Ų81.349%0.4941%0.409SS..Hα-helixtrans-60.9-44.9174.9-172.40000111.8A260 Y261 I262 R267 G268A260-S264 PolarHBondContact O-N 3.05Å; Y261-S264 VanDerWaalsContact O-CB 3.31Å; Y261-S264 WeakPolarHBondContact O-CB 3.48Å; Y261-S264 PolarHBondContact O-N 2.91Å; Y261-S264 VanDerWaalsContact O-N 3.07Å; I262-S264 VanDerWaalsContact C-N 3.28Å; I262-S264 PolarHBondContact O-N 3.07Å; S264-R267 PolarHBondContact O-N 3.17Å; S264-G268 PolarHBondContact O-N 3.43Å
265R98.3Very high97.4Very high165 Ų16586.3 Ų86.362%0.62343%0.431SS*.Hα-helixtrans-62.3-45176.2-68-65.6-134.1166.46.7112.4Y261 I262 G268 K269Y261-R265 HydrophobicContact CD1-CG 4.41Å; Y261-R265 HydrophobicContact CE1-CG 3.94Å; Y261-R265 PolarHBondContact O-N 3.36Å; Y261-R265 PolarHBondContact OH-NE 3.29Å; I262-R265 WeakPolarHBondContact O-CB 3.37Å; I262-R265 PolarHBondContact O-N 3.11Å; I262-R265 VanDerWaalsContact O-N 3.11Å; R265-G268 PolarHBondContact O-N 3.32Å; R265-K269 PolarHBondContact O-N 3.21Å
266V98.1Very high97.4Very high81 Ų8190.3 Ų90.349%0.49145%0.451SS..Hα-helixtrans-60-47.5177172.40000110.4I262 H263 G268 K269 T270I262-V266 HydrophobicContact CG2-CG2 4.26Å; I262-V266 WeakPolarHBondContact O-CG2 3.5Å; I262-V266 PolarHBondContact O-N 3.38Å; H263-V266 PolarHBondContact O-N 2.96Å; V266-G268 VanDerWaalsContact C-N 3.32Å; V266-G268 PolarHBondContact O-N 2.96Å; V266-K269 PolarHBondContact O-N 3.23Å; V266-T270 WeakPolarHBondContact O-CB 3.33Å; V266-T270 PolarHBondContact O-N 2.98Å; V266-T270 PolarHBondContact O-OG1 2.85Å; V266-T270 VanDerWaalsContact O-OG1 3.05Å
267R98.2Very high97.4Very high152 Ų15290 Ų9057%0.57445%0.454SS*.Hα-helixtrans-58.6-43.5175.2-71-178.2-162.8109.7-2.6112.1H263 S264 K269 T270 N271H263-R267 WeakPolarHBondContact O-CG 3.45Å; H263-R267 PolarHBondContact O-N 3.4Å; S264-R267 PolarHBondContact O-N 3.17Å; R267-K269 VanDerWaalsContact C-N 3.34Å; R267-K269 PolarHBondContact O-N 3.45Å; R267-T270 PolarHBondContact O-N 3.19Å; R267-N271 WeakPolarHBondContact O-CB 3.44Å; R267-N271 VanDerWaalsContact O-CG 3.25Å; R267-N271 PolarHBondContact O-N 2.96Å; R267-N271 PolarHBondContact O-ND2 3.44Å
268G98.2Very high97.2Very high44 Ų4492 Ų9245%0.45446%0.462SS..Hα-helixtrans-56.1-47.1175.300000112.2S264 R265 V266 N271 E272S264-G268 PolarHBondContact O-N 3.43Å; R265-G268 PolarHBondContact O-N 3.32Å; V266-G268 VanDerWaalsContact C-N 3.32Å; V266-G268 PolarHBondContact O-N 2.96Å; G268-N271 PolarHBondContact O-N 3.05Å; G268-E272 PolarHBondContact O-N 3.38Å
269K98Very high96.9Very high92 Ų9298.9 Ų98.940%0.448%0.483SS..Hα-helixtrans-71.2-39.3179.7-166.464.8-175.31730112.9R265 V266 R267 N271 E272 F273R265-K269 PolarHBondContact O-N 3.21Å; V266-K269 PolarHBondContact O-N 3.23Å; R267-K269 VanDerWaalsContact C-N 3.34Å; R267-K269 PolarHBondContact O-N 3.45Å; K269-N271 VanDerWaalsContact C-N 3.31Å; K269-N271 PolarHBondContact O-N 2.94Å; K269-E272 VanDerWaalsContact CD-OE2 3.32Å; K269-E272 WeakPolarHBondContact CD-OE2 3.31Å; K269-E272 IonicContact NZ-OE1 2.75Å; K269-E272 PolarHBondContact NZ-OE1 2.76Å; K269-E272 IonicContact NZ-OE2 3Å; K269-E272 PolarHBondContact NZ-OE2 2.97Å; K269-E272 VanDerWaalsContact O-CB 3.3Å; K269-E272 WeakPolarHBondContact O-CB 3.3Å; K269-E272 PolarHBondContact O-N 3.4Å; K269-E272 VanDerWaalsContact O-N 3.09Å; K269-F273 HydrophobicContact CD-CZ 4.26Å; K269-F273 HydrophobicContact CG-CD2 4.3Å; K269-F273 HydrophobicContact CG-CE2 3.74Å; K269-F273 HydrophobicContact CG-CZ 3.87Å; K269-F273 PolarHBondContact O-N 2.87Å
270T98.3Very high96.7Very high65 Ų65100.3 Ų100.340%0.39951%0.505SS..Hα-helixtrans-60.2-41.8174.1-60.30000111.3V266 R267 E272 F273 L274V266-T270 WeakPolarHBondContact O-CB 3.33Å; V266-T270 PolarHBondContact O-N 2.98Å; V266-T270 PolarHBondContact O-OG1 2.85Å; V266-T270 VanDerWaalsContact O-OG1 3.05Å; R267-T270 PolarHBondContact O-N 3.19Å; T270-E272 VanDerWaalsContact C-N 3.27Å; T270-E272 PolarHBondContact O-N 3.36Å; T270-F273 PolarHBondContact O-N 3.04Å; T270-L274 HydrophobicContact CG2-CD1 4.23Å; T270-L274 HydrophobicContact CG2-CG 4.41Å; T270-L274 WeakPolarHBondContact O-CG 3.46Å; T270-L274 PolarHBondContact O-N 3.09Å
271N97.9Very high96.3Very high91 Ų91103.8 Ų103.849%0.48751%0.509SS..Hα-helixtrans-61.2-36.2174.9-74.7-20.1000112.3R267 G268 K269 K275R267-N271 WeakPolarHBondContact O-CB 3.44Å; R267-N271 VanDerWaalsContact O-CG 3.25Å; R267-N271 PolarHBondContact O-N 2.96Å; R267-N271 PolarHBondContact O-ND2 3.44Å; G268-N271 PolarHBondContact O-N 3.05Å; K269-N271 VanDerWaalsContact C-N 3.31Å; K269-N271 PolarHBondContact O-N 2.94Å; N271-K275 VanDerWaalsContact O-CG 3.31Å; N271-K275 WeakPolarHBondContact O-CG 3.32Å; N271-K275 PolarHBondContact O-N 3.42Å; N271-K275 VanDerWaalsContact O-N 3.11Å
272E97.6Very high95.7Very high85 Ų85103.1 Ų103.140%0.39752%0.521SS..Hα-helixtrans-65-47173.5-166.4-16814500111.5G268 K269 T270 L274 K275 I276G268-E272 PolarHBondContact O-N 3.38Å; K269-E272 VanDerWaalsContact CD-OE2 3.32Å; K269-E272 WeakPolarHBondContact CD-OE2 3.31Å; K269-E272 IonicContact NZ-OE1 2.75Å; K269-E272 PolarHBondContact NZ-OE1 2.76Å; K269-E272 IonicContact NZ-OE2 3Å; K269-E272 PolarHBondContact NZ-OE2 2.97Å; K269-E272 VanDerWaalsContact O-CB 3.3Å; K269-E272 WeakPolarHBondContact O-CB 3.3Å; K269-E272 PolarHBondContact O-N 3.4Å; K269-E272 VanDerWaalsContact O-N 3.09Å; T270-E272 VanDerWaalsContact C-N 3.27Å; T270-E272 PolarHBondContact O-N 3.36Å; E272-L274 PolarHBondContact O-N 3.11Å; E272-K275 WeakPolarHBondContact O-CB 3.41Å; E272-K275 PolarHBondContact O-N 3.14Å; E272-K275 VanDerWaalsContact O-N 3.14Å; E272-I276 WeakPolarHBondContact O-CG1 3.31Å; E272-I276 PolarHBondContact O-N 3.45Å
273F97.9Very high94.4Very high117 Ų117103.5 Ų103.551%0.51354%0.537SS..Hα-helixtrans-61.6-41.5177-67-35000112.6K269 T270 K275 I276 L277K269-F273 HydrophobicContact CD-CZ 4.26Å; K269-F273 HydrophobicContact CG-CD2 4.3Å; K269-F273 HydrophobicContact CG-CE2 3.74Å; K269-F273 HydrophobicContact CG-CZ 3.87Å; K269-F273 PolarHBondContact O-N 2.87Å; T270-F273 PolarHBondContact O-N 3.04Å; F273-K275 VanDerWaalsContact C-N 3.3Å; F273-K275 PolarHBondContact O-N 3.39Å; F273-I276 HydrophobicContact CD1-CD1 4.44Å; F273-I276 PolarHBondContact O-N 2.88Å; F273-I276 VanDerWaalsContact O-N 3.12Å; F273-L277 WeakPolarHBondContact O-CB 3.41Å; F273-L277 PolarHBondContact O-N 3.44Å
274L97.2Very high92.9Very high87 Ų87101.5 Ų101.546%0.45555%0.545SS..Hα-helixtrans-61.3-38.5174.5-71.1174.3000111.8T270 E272 I276 L277 N278T270-L274 HydrophobicContact CG2-CD1 4.23Å; T270-L274 HydrophobicContact CG2-CG 4.41Å; T270-L274 WeakPolarHBondContact O-CG 3.46Å; T270-L274 PolarHBondContact O-N 3.09Å; E272-L274 PolarHBondContact O-N 3.11Å; L274-I276 VanDerWaalsContact C-N 3.33Å; L274-I276 PolarHBondContact O-N 3.43Å; L274-L277 PolarHBondContact O-N 3.12Å; L274-N278 VanDerWaalsContact O-CB 3.31Å; L274-N278 WeakPolarHBondContact O-CB 3.34Å; L274-N278 VanDerWaalsContact O-CG 3.28Å; L274-N278 PolarHBondContact O-N 3.49Å; L274-N278 PolarHBondContact O-ND2 3.12Å
275K95.8Very high90.9Very high134 Ų134107.5 Ų107.558%0.58356%0.562SS**Hα-helixtrans-65.3-35.5174.2-73.2172.8-177.6-178.60112.4N271 E272 F273 R279N271-K275 VanDerWaalsContact O-CG 3.31Å; N271-K275 WeakPolarHBondContact O-CG 3.32Å; N271-K275 PolarHBondContact O-N 3.42Å; N271-K275 VanDerWaalsContact O-N 3.11Å; E272-K275 WeakPolarHBondContact O-CB 3.41Å; E272-K275 PolarHBondContact O-N 3.14Å; E272-K275 VanDerWaalsContact O-N 3.14Å; F273-K275 VanDerWaalsContact C-N 3.3Å; F273-K275 PolarHBondContact O-N 3.39Å; K275-R279 WeakPolarHBondContact O-CG 3.34Å; K275-R279 PolarHBondContact O-N 3.42Å; K275-R279 PolarHBondContact O-NE 3.13Å; K275-R279 VanDerWaalsContact O-NE 3.11Å
276I95.9Very high89Confident83 Ų83105.2 Ų105.243%0.42657%0.566SS.*Hα-helixtrans-69.9-46.2176.3-66167000109.7E272 F273 L274 N278 R279 A280E272-I276 WeakPolarHBondContact O-CG1 3.31Å; E272-I276 PolarHBondContact O-N 3.45Å; F273-I276 HydrophobicContact CD1-CD1 4.44Å; F273-I276 PolarHBondContact O-N 2.88Å; F273-I276 VanDerWaalsContact O-N 3.12Å; L274-I276 VanDerWaalsContact C-N 3.33Å; L274-I276 PolarHBondContact O-N 3.43Å; I276-N278 PolarHBondContact O-N 2.88Å; I276-R279 WeakPolarHBondContact O-CB 3.47Å; I276-R279 PolarHBondContact O-N 3.2Å; I276-R279 VanDerWaalsContact O-N 3.12Å; I276-A280 PolarHBondContact O-N 3.15Å; I276-A280 VanDerWaalsContact O-N 3.15Å
277L95.4Very high86.8Confident104 Ų104108 Ų10855%0.54557%0.574SS.*Hα-helixtrans-62.9-41.6178.9-167.9148000111.9F273 L274 R279 A280 K281F273-L277 WeakPolarHBondContact O-CB 3.41Å; F273-L277 PolarHBondContact O-N 3.44Å; L274-L277 PolarHBondContact O-N 3.12Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 3.48Å; L277-A280 PolarHBondContact O-N 3.35Å; L277-A280 VanDerWaalsContact O-N 3.13Å; L277-K281 PolarHBondContact O-N 3.11Å
278N93.1Very high84.7Confident91 Ų91111.8 Ų111.849%0.48759%0.588SS.*Hα-helixtrans-65.2-32.7175-76.4-31.7000112.7L274 I276 A280 K281L274-N278 VanDerWaalsContact O-CB 3.31Å; L274-N278 WeakPolarHBondContact O-CB 3.34Å; L274-N278 VanDerWaalsContact O-CG 3.28Å; L274-N278 PolarHBondContact O-N 3.49Å; L274-N278 PolarHBondContact O-ND2 3.12Å; I276-N278 PolarHBondContact O-N 2.88Å; N278-A280 VanDerWaalsContact C-N 3.28Å; N278-A280 PolarHBondContact O-N 3.42Å; N278-K281 PolarHBondContact O-N 3.2Å
279R91.5Very high82.5Confident186 Ų186117 Ų11770%0.70260%0.598SS**Hα-helixtrans-68.5-25.5173.1-81.6-179.8-96.1177.7-8.6113.2K275 I276 L277 K281K275-R279 WeakPolarHBondContact O-CG 3.34Å; K275-R279 PolarHBondContact O-N 3.42Å; K275-R279 PolarHBondContact O-NE 3.13Å; K275-R279 VanDerWaalsContact O-NE 3.11Å; I276-R279 WeakPolarHBondContact O-CB 3.47Å; I276-R279 PolarHBondContact O-N 3.2Å; I276-R279 VanDerWaalsContact O-N 3.12Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 3.48Å; R279-K281 VanDerWaalsContact C-N 3.35Å
280A92.6Very high80.6Confident82 Ų82115.3 Ų115.368%0.67860%0.595SS**Hα-helixtrans-81.5-12.217700000113.4I276 L277 N278I276-A280 PolarHBondContact O-N 3.15Å; I276-A280 VanDerWaalsContact O-N 3.15Å; L277-A280 PolarHBondContact O-N 3.35Å; L277-A280 VanDerWaalsContact O-N 3.13Å; N278-A280 VanDerWaalsContact C-N 3.28Å; N278-A280 PolarHBondContact O-N 3.42Å
281K88.7Confident78.7Confident129 Ų129122.1 Ų122.156%0.56163%0.625SS**SBendtrans-66.6131172.9-70.8-177.6177.5173.30108.8L277 N278 R279 A283L277-K281 PolarHBondContact O-N 3.11Å; N278-K281 PolarHBondContact O-N 3.2Å; R279-K281 VanDerWaalsContact C-N 3.35Å; K281-A283 PolarHBondContact O-N 3.15Å; K281-A283 VanDerWaalsContact O-N 3.15Å
282P83.8Confident77Confident122 Ų122122.5 Ų122.579%0.79264%0.635SS**PPolyproline II helixtrans-54126.1172.5-20.229.7000108.2G284P282-G284 PolarHBondContact O-N 2.99Å
283A71.4Confident75Confident88 Ų88121.3 Ų121.373%0.72765%0.646SS**PPolyproline II helixtrans-54118.4167.500000105.9K281 K285K281-A283 PolarHBondContact O-N 3.15Å; K281-A283 VanDerWaalsContact O-N 3.15Å; A283-K285 PolarHBondContact O-N 2.76Å
284G65.2Low72.8Confident64 Ų64125.5 Ų125.566%0.6666%0.658SS**PPolyproline II helixtrans-47135.4176.800000107.8P282 V286P282-G284 PolarHBondContact O-N 2.99Å; G284-V286 PolarHBondContact O-N 3.27Å
285K55.9Low70.5Confident195 Ų195125.8 Ų125.885%0.84867%0.667SS**  trans-40.5106.8-176.6-79.8-176.9176.9-179.60107.6A283 E287A283-K285 PolarHBondContact O-N 2.76Å; K285-E287 VanDerWaalsContact C-N 3.34Å; K285-E287 PolarHBondContact O-N 2.69Å
286V57.3Low68.5Low117 Ų117128.4 Ų128.471%0.70968%0.679SS**  trans-58.3110.6170.8178.60000102.9G284 R288G284-V286 PolarHBondContact O-N 3.27Å; V286-R288 PolarHBondContact O-N 2.88Å
287E52.5Low66.1Low140 Ų140133.3 Ų133.365%0.65470%0.7SS**  trans-5991.6172.7-90.1-165.9160.100106.3K285 K289K285-E287 VanDerWaalsContact C-N 3.34Å; K285-E287 PolarHBondContact O-N 2.69Å; E287-K289 PolarHBondContact O-N 2.87Å; E287-K289 VanDerWaalsContact OE2-CE 3.27Å; E287-K289 WeakPolarHBondContact OE2-CE 3.27Å
288R54Low63.8Low231 Ų231136.2 Ų136.287%0.87274%0.739SS**  trans-72.485.8166.2-72.6-170.4178.7-177.30.4105.3V286 T290V286-R288 PolarHBondContact O-N 2.88Å; R288-T290 PolarHBondContact O-N 3.29Å
289K52.5Low62.4Low155 Ų155138.5 Ų138.567%0.67475%0.752SS**  trans-61.6122.6168.4-68.5-173177.4-179.10107.1E287E287-K289 PolarHBondContact O-N 2.87Å; E287-K289 VanDerWaalsContact OE2-CE 3.27Å; E287-K289 WeakPolarHBondContact OE2-CE 3.27Å
290T59Low60.9Low55 Ų55136 Ų13634%0.33776%0.755SS.*  trans-63.7155.2166.252.40000108.4R288 S292 G293 R294 F296R288-T290 PolarHBondContact O-N 3.29Å; T290-S292 PolarHBondContact O-N 2.91Å; T290-S292 PolarHBondContact OG1-OG 3.13Å; T290-G293 PolarHBondContact O-N 2.89Å; T290-R294 PolarHBondContact OG1-O 3.46Å; T290-R294 VanDerWaalsContact OG1-O 3.13Å; T290-F296 HydrophobicContact CG2-CE2 4.26Å
291M57.8Low59.1Low208 Ų208139 Ų139100%1.02576%0.759SS**THydrogen-bonded Turntrans-57.2-12.8-178.9-155.8174.465.900113.5
292S62.5Low57.3Low99 Ų99139.6 Ų139.669%0.69277%0.771SS**THydrogen-bonded Turntrans-101.45.3176.559.70000115.1T290 R294T290-S292 PolarHBondContact O-N 2.91Å; T290-S292 PolarHBondContact OG1-OG 3.13Å; S292-R294 PolarHBondContact O-N 3.33Å
293G55.3Low55.7Low60 Ų60140.7 Ų140.762%0.61977%0.769SS**  trans74.312.2170.200000116.7T290T290-G293 PolarHBondContact O-N 2.89Å
294R50.4Low54.6Low206 Ų206144.2 Ų144.278%0.77777%0.772SS**  trans-98.5130.3173-75.1-174176.9178.3-0.7112T290 S292T290-R294 PolarHBondContact OG1-O 3.46Å; T290-R294 VanDerWaalsContact OG1-O 3.13Å; S292-R294 PolarHBondContact O-N 3.33Å
295S50.5Low53.9Low92 Ų92149.9 Ų149.964%0.64378%0.78SS**  trans-84.1136.2173.449.60000111.1Q297S295-Q297 PolarHBondContact O-N 3.37Å
296F52.9Low53.7Low189 Ų189146.5 Ų146.583%0.82978%0.775SS**  trans-73.5115170.5-82-93.2000109.8T290T290-F296 HydrophobicContact CG2-CE2 4.26Å
297Q45.6Very low53.4Low186 Ų186148.9 Ų148.987%0.86978%0.78SS**  trans-81.4136.3157-79.2-177.4-2600108S295S295-Q297 PolarHBondContact O-N 3.37Å
298A48.3Very low53.5Low166 Ų166149.7 Ų149.7100%1.37279%0.792SS**  trans-640-173.100000112.7

Retrieved 298 of 298 residues in 138 ms (Link to these results)

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