A0A087XL97_POEFO Loading...

Threonine synthase-like 2

AlphaFold DB , UniProt , Accession A0A087XL97, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 499 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
1M95.6Very high96.6Very high67 Ų6741.9 Ų41.933%0.3324%0.241SC..  0130.50-179.255.574.700108.1Y3 P32 P36 L61 F62 P64M1-Y3 HydrophobicContact CG-CE2 3.81Å; M1-P32 HydrophobicContact SD-CB 3.77Å; M1-P36 HydrophobicContact CE-CG 4.33Å; M1-L61 VanDerWaalsContact CE-O 3.29Å; M1-L61 WeakPolarHBondContact CE-O 3.37Å; M1-F62 HydrophobicContact CE-CD1 4.28Å; M1-F62 WeakPolarHBondContact CG-O 3.42Å; M1-P64 HydrophobicContact CB-CG 3.85Å
2W97.7Very high96.5Very high136 Ų13646.7 Ų46.752%0.51527%0.265SS..  trans-120.5154.1177-65.5117.6000110.5R13 D14 P32 E33W2-R13 CarbonylContact C-O 3.53Å; W2-D14 HydrophobicContact CE3-CB 4.36Å; W2-D14 HydrophobicContact CZ3-CB 3.89Å; W2-P32 WeakPolarHBondContact O-CA 3.45Å; W2-E33 HydrophobicContact CB-CG 4.3Å; W2-E33 PolarHBondContact O-N 3.25Å
3Y98.4Very high96.6Very high0 Ų050.3 Ų50.30%027%0.272CS..EExtended strand (participates in β ladder)trans-125.1146.6-175.3-64.6-90.2000112M1 Q11 N12 R13 F15 V18 M31 P32 F62 W225M1-Y3 HydrophobicContact CG-CE2 3.81Å; Y3-Q11 CarbonylContact O-C 3.58Å; Y3-N12 PolarHBondContact O-N 3.07Å; Y3-R13 WeakPolarHBondContact CB-O 3.27Å; Y3-R13 WeakPolarHBondContact CD2-O 3.46Å; Y3-R13 PolarHBondContact N-O 3.29Å; Y3-R13 PolarHBondContact O-N 3.39Å; Y3-F15 HydrophobicContact CE2-CB 3.9Å; Y3-F15 HydrophobicContact CE2-CD2 4.39Å; Y3-V18 VanDerWaalsContact CB-CG2 3.48Å; Y3-V18 HydrophobicContact CD1-CG1 4.5Å; Y3-V18 HydrophobicContact CD1-CG2 4.36Å; Y3-V18 HydrophobicContact CD2-CG2 4.13Å; Y3-V18 HydrophobicContact CG-CB 4.41Å; Y3-V18 HydrophobicContact CG-CG2 3.74Å; Y3-M31 CarbonylContact C-O 3.54Å; Y3-M31 VanDerWaalsContact CA-O 3.31Å; Y3-M31 WeakPolarHBondContact CA-O 3.47Å; Y3-P32 HydrophobicContact CD1-CB 4.09Å; Y3-P32 HydrophobicContact CE1-CB 3.88Å; Y3-F62 WeakPolarHBondContact OH-CB 3.36Å; Y3-F62 PolarHBondContact OH-O 2.98Å; Y3-W225 HydrophobicContact CD1-CG 4.46Å; Y3-W225 AromaticContact CE1-CD1 3.4Å; Y3-W225 VanDerWaalsContact CE1-CD1 3.4Å; Y3-W225 HydrophobicContact CE1-CD2 4.12Å; Y3-W225 AromaticContact CE1-CE2 3.65Å; Y3-W225 AromaticContact CE1-CG 4Å; Y3-W225 HydrophobicContact CE1-CG 4Å; Y3-W225 HydrophobicContact CE1-CZ2 4.33Å; Y3-W225 AromaticContact CE1-NE1 3.17Å; Y3-W225 AromaticContact CZ-CD1 3.84Å; Y3-W225 AromaticContact CZ-NE1 3.56Å; Y3-W225 PolarHBondContact OH-NE1 3.18Å
4C97.8Very high96.7Very high12 Ų1249.4 Ų49.48%0.08127%0.267CS..EExtended strand (participates in β ladder)trans-132.5164177.265.50000111.8V10 Q11 F30 M31 E33C4-V10 CarbonylContact C-O 3.59Å; C4-V10 VanDerWaalsContact CA-O 3.24Å; C4-V10 WeakPolarHBondContact CA-O 3.42Å; C4-V10 WeakPolarHBondContact CB-O 3.37Å; C4-Q11 HydrophobicContact CB-CB 4.45Å; C4-Q11 HydrophobicContact CB-CG 4.01Å; C4-F30 WeakPolarHBondContact O-CA 3.31Å; C4-M31 PolarHBondContact N-O 3.4Å; C4-M31 PolarHBondContact O-N 3.11Å; C4-E33 HydrophobicContact CB-CG 3.76Å
5S97.9Very high96.8Very high1 Ų146.1 Ų46.11%0.00725%0.25CC..EExtended strand (participates in β ladder)trans-78.3140.2171.3178.40000110.8R7 G8 V10 D26 M29S5-R7 PolarHBondContact O-N 2.89Å; S5-R7 PolarHBondContact OG-N 3.31Å; S5-G8 PolarHBondContact O-N 3.03Å; S5-V10 PolarHBondContact N-O 3.31Å; S5-D26 WeakPolarHBondContact CB-OD1 3.33Å; S5-D26 VanDerWaalsContact CB-OD2 3.28Å; S5-D26 WeakPolarHBondContact CB-OD2 3.36Å; S5-D26 PolarHBondContact OG-OD1 3.48Å; S5-D26 PolarHBondContact OG-OD2 2.62Å; S5-M29 CarbonylContact C-O 3.52Å; S5-M29 WeakPolarHBondContact CA-O 3.36Å
6T97.9Very high96.8Very high0 Ų048.2 Ų48.20%025%0.253CS..THydrogen-bonded Turntrans-57.5-15.9169.846.50000113.7M29 M31 E334 R335 W338 G345 V348T6-M29 HydrophobicContact CG2-CB 4.41Å; T6-M29 WeakPolarHBondContact CG2-O 3.46Å; T6-M29 PolarHBondContact N-O 3.14Å; T6-M29 PolarHBondContact OG1-N 2.75Å; T6-M29 PolarHBondContact OG1-O 2.8Å; T6-M31 HydrophobicContact CG2-CB 4.45Å; T6-M31 HydrophobicContact CG2-CG 3.61Å; T6-E334 PolarHBondContact OG1-OE1 3.25Å; T6-R335 HydrophobicContact CG2-CG 4.3Å; T6-W338 HydrophobicContact CG2-CB 3.88Å; T6-W338 HydrophobicContact CG2-CD2 4.23Å; T6-W338 HydrophobicContact CG2-CG 3.84Å; T6-W338 VanDerWaalsContact O-CD1 3.23Å; T6-G345 VanDerWaalsContact O-CA 3.32Å; T6-G345 WeakPolarHBondContact O-CA 3.48Å; T6-V348 WeakPolarHBondContact O-CB 3.33Å; T6-V348 WeakPolarHBondContact O-CG1 3.28Å
7R97.3Very high96.8Very high9 Ų949.5 Ų49.53%0.03426%0.257CS..THydrogen-bonded Turntrans-102.23.4177.5-62-175-169.4-162.1-1.9113.8S5 G9 D26 G27 E334 G345 K349 Q356S5-R7 PolarHBondContact O-N 2.89Å; S5-R7 PolarHBondContact OG-N 3.31Å; R7-G9 VanDerWaalsContact C-N 3.26Å; R7-G9 PolarHBondContact O-N 3.22Å; R7-D26 WeakPolarHBondContact CB-OD2 3.17Å; R7-D26 WeakPolarHBondContact CD-O 3.47Å; R7-G27 PolarHBondContact NE-O 3.12Å; R7-G27 PolarHBondContact NH2-O 3.35Å; R7-E334 WeakPolarHBondContact CG-OE1 3.49Å; R7-E334 IonicContact CZ-OE1 2.71Å; R7-E334 IonicContact CZ-OE2 3.83Å; R7-E334 IonicContact NE-OE1 3.35Å; R7-E334 PolarHBondContact NE-OE1 3.45Å; R7-E334 IonicContact NE-OE2 2.8Å; R7-E334 PolarHBondContact NE-OE2 3.46Å; R7-E334 IonicContact NH2-OE1 3.57Å; R7-E334 IonicContact NH2-OE2 3.58Å; R7-E334 PolarHBondContact NH2-OE2 2.82Å; R7-G345 CarbonylContact C-O 3.56Å; R7-G345 WeakPolarHBondContact CA-O 3.27Å; R7-K349 HydrophobicContact CB-CB 3.89Å; R7-K349 HydrophobicContact CB-CG 4.21Å; R7-K349 HydrophobicContact CG-CB 4.14Å; R7-Q356 VanDerWaalsContact NH1-OE1 3.13Å
8G95.2Very high96.8Very high40 Ų4046.8 Ų46.841%0.41224%0.243SC..SBendtrans76.1-3.3171.700000116.4S5 V10S5-G8 PolarHBondContact O-N 3.03Å; G8-V10 VanDerWaalsContact C-N 3.34Å; G8-V10 PolarHBondContact O-N 3.41Å
9G93.9Very high96.8Very high60 Ų6044.3 Ų44.362%0.61923%0.23SC*.SBendtrans-81.2-8.8-177.900000114.8R7 D26R7-G9 VanDerWaalsContact C-N 3.26Å; R7-G9 PolarHBondContact O-N 3.22Å; G9-D26 WeakPolarHBondContact CA-OD2 3.46Å; G9-D26 PolarHBondContact N-OD2 3.15Å
10V95.1Very high96.8Very high16 Ų1644.1 Ų44.110%0.09723%0.227CC..  trans-139.5135.4-178.5-173.20000110.1C4 S5 G8 R13 P25 F30C4-V10 CarbonylContact C-O 3.59Å; C4-V10 VanDerWaalsContact CA-O 3.24Å; C4-V10 WeakPolarHBondContact CA-O 3.42Å; C4-V10 WeakPolarHBondContact CB-O 3.37Å; S5-V10 PolarHBondContact N-O 3.31Å; G8-V10 VanDerWaalsContact C-N 3.34Å; G8-V10 PolarHBondContact O-N 3.41Å; V10-R13 HydrophobicContact CG1-CG 3.88Å; V10-P25 HydrophobicContact CG2-CB 4.23Å; V10-P25 HydrophobicContact CG2-CG 4.15Å; V10-F30 HydrophobicContact CB-CE1 4.45Å; V10-F30 HydrophobicContact CG1-CE1 3.97Å; V10-F30 HydrophobicContact CG1-CZ 4.31Å
11Q95.9Very high96.6Very high120 Ų12042.6 Ų42.656%0.56122%0.221SC*.  trans-143174.5-179.3-66.8-178.6-21.700110.2Y3 C4 R13Y3-Q11 CarbonylContact O-C 3.58Å; C4-Q11 HydrophobicContact CB-CB 4.45Å; C4-Q11 HydrophobicContact CB-CG 4.01Å; Q11-R13 VanDerWaalsContact C-N 3.27Å; Q11-R13 PolarHBondContact O-N 3Å
12N95.8Very high96.2Very high99 Ų9939.6 Ų39.653%0.52921%0.207SC..  trans55.537.4173.9-54.7-61.4000113.9Y3 E33Y3-N12 PolarHBondContact O-N 3.07Å; N12-E33 PolarHBondContact N-OE1 3.21Å
13R97.4Very high95.8Very high94 Ų9434.9 Ų34.936%0.35519%0.19SC..BIsolated β-bridgetrans-91.6137.9171.5-62-61.5178.7-173.7-7110.3W2 Y3 V10 Q11 E17 V18 F30W2-R13 CarbonylContact C-O 3.53Å; Y3-R13 WeakPolarHBondContact CB-O 3.27Å; Y3-R13 WeakPolarHBondContact CD2-O 3.46Å; Y3-R13 PolarHBondContact N-O 3.29Å; Y3-R13 PolarHBondContact O-N 3.39Å; V10-R13 HydrophobicContact CG1-CG 3.88Å; Q11-R13 VanDerWaalsContact C-N 3.27Å; Q11-R13 PolarHBondContact O-N 3Å; R13-E17 VanDerWaalsContact CA-OE2 3.29Å; R13-E17 WeakPolarHBondContact CA-OE2 3.41Å; R13-E17 HydrophobicContact CB-CB 4.28Å; R13-E17 WeakPolarHBondContact CD-OE1 3.5Å; R13-E17 WeakPolarHBondContact CD-OE2 3.46Å; R13-E17 IonicContact CZ-OE1 3.09Å; R13-E17 IonicContact NE-OE1 2.76Å; R13-E17 IonicContact NH1-OE1 2.94Å; R13-E17 PolarHBondContact NH1-OE1 3.44Å; R13-V18 HydrophobicContact CB-CG2 3.89Å; R13-F30 HydrophobicContact CB-CE1 4.28Å; R13-F30 HydrophobicContact CG-CE1 3.78Å; R13-F30 HydrophobicContact CG-CZ 4.23Å
14D97.9Very high95.5Very high38 Ų3835 Ų3520%0.20319%0.191CC..  trans-81174.7173.878.719.4000111.7W2 R16 E17 V18 L67W2-D14 HydrophobicContact CE3-CB 4.36Å; W2-D14 HydrophobicContact CZ3-CB 3.89Å; D14-R16 VanDerWaalsContact C-N 3.31Å; D14-R16 PolarHBondContact O-N 3.37Å; D14-R16 WeakPolarHBondContact OD1-CA 3.44Å; D14-R16 WeakPolarHBondContact OD1-CB 3.46Å; D14-R16 PolarHBondContact OD1-N 3.32Å; D14-E17 PolarHBondContact N-OE2 3.05Å; D14-E17 PolarHBondContact O-N 3.41Å; D14-E17 PolarHBondContact OD1-N 2.94Å; D14-V18 WeakPolarHBondContact O-CG2 3.48Å; D14-V18 PolarHBondContact O-N 2.89Å; D14-L67 HydrophobicContact CB-CD1 4.07Å
15F98.2Very high95.1Very high0 Ų037.8 Ų37.80%021%0.209CC..Hα-helixtrans-63-36.3179.4174.1-107.5000112.5Y3 V18 L19 I63 L67 I68 F123 F127 M229Y3-F15 HydrophobicContact CE2-CB 3.9Å; Y3-F15 HydrophobicContact CE2-CD2 4.39Å; F15-V18 PolarHBondContact O-N 3.37Å; F15-L19 HydrophobicContact CE1-CB 4.41Å; F15-L19 HydrophobicContact CE1-CD2 3.99Å; F15-L19 HydrophobicContact CZ-CB 4.38Å; F15-L19 HydrophobicContact CZ-CD1 4.19Å; F15-L19 HydrophobicContact CZ-CD2 4.32Å; F15-L19 WeakPolarHBondContact O-CB 3.3Å; F15-L19 PolarHBondContact O-N 3.14Å; F15-I63 HydrophobicContact CD1-CB 4.44Å; F15-I63 HydrophobicContact CD1-CD1 4.17Å; F15-I63 HydrophobicContact CD1-CG1 3.84Å; F15-I63 HydrophobicContact CD1-CG2 3.94Å; F15-I63 HydrophobicContact CD2-CG1 3.95Å; F15-I63 HydrophobicContact CE1-CD1 3.57Å; F15-I63 HydrophobicContact CE1-CG1 3.74Å; F15-I63 HydrophobicContact CE1-CG2 4.28Å; F15-I63 HydrophobicContact CE2-CD1 4.09Å; F15-I63 HydrophobicContact CE2-CG1 3.86Å; F15-I63 HydrophobicContact CG-CG1 3.94Å; F15-I63 HydrophobicContact CG-CG2 4.46Å; F15-I63 HydrophobicContact CZ-CD1 3.53Å; F15-I63 HydrophobicContact CZ-CG1 3.76Å; F15-L67 HydrophobicContact CB-CD1 3.76Å; F15-I68 HydrophobicContact CE1-CD1 4.26Å; F15-F123 HydrophobicContact CE1-CD2 4.48Å; F15-F123 AromaticContact CZ-CD2 3.99Å; F15-F123 HydrophobicContact CZ-CD2 3.99Å; F15-F127 HydrophobicContact CD1-CE2 4.28Å; F15-F127 HydrophobicContact CE1-CE2 4.29Å; F15-M229 HydrophobicContact CE2-CE 4.15Å; F15-M229 HydrophobicContact CE2-SD 4.05Å; F15-M229 HydrophobicContact CZ-CE 4.27Å
16R97.1Very high94.8Very high79 Ų7939.3 Ų39.330%0.29822%0.217SC..Hα-helixtrans-65.4-48.5-179.7179.1-177.8170.9-78.4-2.5109.7D14 V18 L19 F20 F127 D131D14-R16 VanDerWaalsContact C-N 3.31Å; D14-R16 PolarHBondContact O-N 3.37Å; D14-R16 WeakPolarHBondContact OD1-CA 3.44Å; D14-R16 WeakPolarHBondContact OD1-CB 3.46Å; D14-R16 PolarHBondContact OD1-N 3.32Å; R16-V18 VanDerWaalsContact C-N 3.27Å; R16-V18 PolarHBondContact O-N 3.03Å; R16-L19 PolarHBondContact O-N 3.35Å; R16-L19 VanDerWaalsContact O-N 3.15Å; R16-F20 HydrophobicContact CG-CD2 3.93Å; R16-F20 HydrophobicContact CG-CE2 4.02Å; R16-F20 VanDerWaalsContact O-CD2 3.3Å; R16-F20 WeakPolarHBondContact O-CD2 3.45Å; R16-F20 PolarHBondContact O-N 3.07Å; R16-F127 HydrophobicContact CB-CE1 4.22Å; R16-F127 HydrophobicContact CB-CE2 4.24Å; R16-F127 HydrophobicContact CB-CZ 4.06Å; R16-F127 HydrophobicContact CG-CD1 4.02Å; R16-F127 HydrophobicContact CG-CD2 4.19Å; R16-F127 HydrophobicContact CG-CE1 4.2Å; R16-F127 HydrophobicContact CG-CE2 4.36Å; R16-F127 HydrophobicContact CG-CG 4.01Å; R16-F127 HydrophobicContact CG-CZ 4.37Å; R16-D131 IonicContact CZ-OD2 2.72Å; R16-D131 IonicContact NE-OD2 2.85Å; R16-D131 PolarHBondContact NE-OD2 3.38Å; R16-D131 IonicContact NH2-OD2 3.82Å; R16-D131 PolarHBondContact NH2-OD2 2.98Å
17E96.3Very high94.5Very high71 Ų7140.5 Ų40.533%0.33223%0.23SC..Hα-helixtrans-57.1-42177.7-69.3-179.8102.700112.2R13 D14 S21R13-E17 VanDerWaalsContact CA-OE2 3.29Å; R13-E17 WeakPolarHBondContact CA-OE2 3.41Å; R13-E17 HydrophobicContact CB-CB 4.28Å; R13-E17 WeakPolarHBondContact CD-OE1 3.5Å; R13-E17 WeakPolarHBondContact CD-OE2 3.46Å; R13-E17 IonicContact CZ-OE1 3.09Å; R13-E17 IonicContact NE-OE1 2.76Å; R13-E17 IonicContact NH1-OE1 2.94Å; R13-E17 PolarHBondContact NH1-OE1 3.44Å; D14-E17 PolarHBondContact N-OE2 3.05Å; D14-E17 PolarHBondContact O-N 3.41Å; D14-E17 PolarHBondContact OD1-N 2.94Å; E17-S21 PolarHBondContact O-N 2.88Å
18V96.9Very high94.4Very high0 Ų040.1 Ų40.10%023%0.228CC..Hα-helixtrans-72.3-34.5177.3169.50000112.7Y3 R13 D14 F15 R16 F20 S21 F30 W225Y3-V18 VanDerWaalsContact CB-CG2 3.48Å; Y3-V18 HydrophobicContact CD1-CG1 4.5Å; Y3-V18 HydrophobicContact CD1-CG2 4.36Å; Y3-V18 HydrophobicContact CD2-CG2 4.13Å; Y3-V18 HydrophobicContact CG-CB 4.41Å; Y3-V18 HydrophobicContact CG-CG2 3.74Å; R13-V18 HydrophobicContact CB-CG2 3.89Å; D14-V18 WeakPolarHBondContact O-CG2 3.48Å; D14-V18 PolarHBondContact O-N 2.89Å; F15-V18 PolarHBondContact O-N 3.37Å; R16-V18 VanDerWaalsContact C-N 3.27Å; R16-V18 PolarHBondContact O-N 3.03Å; V18-F20 VanDerWaalsContact C-N 3.33Å; V18-S21 PolarHBondContact O-N 3.27Å; V18-S21 PolarHBondContact O-OG 3.01Å; V18-F30 HydrophobicContact CB-CB 4.31Å; V18-F30 HydrophobicContact CB-CD2 4.43Å; V18-F30 HydrophobicContact CB-CG 4.3Å; V18-F30 HydrophobicContact CG1-CB 3.54Å; V18-F30 HydrophobicContact CG1-CD2 4.2Å; V18-F30 HydrophobicContact CG1-CG 4Å; V18-F30 HydrophobicContact CG2-CB 3.83Å; V18-F30 HydrophobicContact CG2-CD1 3.7Å; V18-F30 HydrophobicContact CG2-CD2 3.99Å; V18-F30 HydrophobicContact CG2-CE1 4.23Å; V18-F30 HydrophobicContact CG2-CE2 4.47Å; V18-F30 HydrophobicContact CG2-CG 3.56Å; V18-W225 HydrophobicContact CG1-CB 3.41Å; V18-W225 VanDerWaalsContact CG1-CB 3.41Å; V18-W225 HydrophobicContact CG1-CG 4.05Å
19L97.4Very high94.4Very high0 Ų038.3 Ų38.30%021%0.209CC..Hα-helixtrans-65-39.4176.8178.368.6000111.1F15 R16 S21 T120 F123 L124 F127 M218 N224F15-L19 HydrophobicContact CE1-CB 4.41Å; F15-L19 HydrophobicContact CE1-CD2 3.99Å; F15-L19 HydrophobicContact CZ-CB 4.38Å; F15-L19 HydrophobicContact CZ-CD1 4.19Å; F15-L19 HydrophobicContact CZ-CD2 4.32Å; F15-L19 WeakPolarHBondContact O-CB 3.3Å; F15-L19 PolarHBondContact O-N 3.14Å; R16-L19 PolarHBondContact O-N 3.35Å; R16-L19 VanDerWaalsContact O-N 3.15Å; L19-S21 VanDerWaalsContact C-N 3.25Å; L19-S21 PolarHBondContact O-N 2.71Å; L19-T120 HydrophobicContact CD1-CG2 3.87Å; L19-F123 HydrophobicContact CD1-CB 4.36Å; L19-F123 HydrophobicContact CD2-CB 3.76Å; L19-L124 HydrophobicContact CD1-CD2 4.25Å; L19-L124 HydrophobicContact CD1-CG 4.08Å; L19-L124 HydrophobicContact CD2-CD2 4.03Å; L19-L124 HydrophobicContact CD2-CG 4.17Å; L19-L124 HydrophobicContact CG-CD2 3.64Å; L19-L124 HydrophobicContact CG-CG 3.95Å; L19-F127 HydrophobicContact CD2-CD2 3.69Å; L19-F127 HydrophobicContact CD2-CE2 3.84Å; L19-M218 VanDerWaalsContact O-CE 3.22Å; L19-M218 WeakPolarHBondContact O-CE 3.36Å; L19-N224 PolarHBondContact O-ND2 3.3Å
20F95.9Very high94.5Very high39 Ų3935.9 Ų35.917%0.17118%0.181CC..THydrogen-bonded Turntrans-8517.2176.5-76.3-87000113.9R16 V18 L124 F127 L128 A135 M218R16-F20 HydrophobicContact CG-CD2 3.93Å; R16-F20 HydrophobicContact CG-CE2 4.02Å; R16-F20 VanDerWaalsContact O-CD2 3.3Å; R16-F20 WeakPolarHBondContact O-CD2 3.45Å; R16-F20 PolarHBondContact O-N 3.07Å; V18-F20 VanDerWaalsContact C-N 3.33Å; F20-L124 HydrophobicContact CD1-CD2 3.85Å; F20-L124 HydrophobicContact CD2-CD2 4.18Å; F20-L124 HydrophobicContact CE1-CD2 3.68Å; F20-L124 HydrophobicContact CE2-CD2 4.03Å; F20-L124 HydrophobicContact CG-CD2 4.1Å; F20-L124 HydrophobicContact CZ-CD2 3.78Å; F20-F127 HydrophobicContact CE2-CB 3.55Å; F20-F127 HydrophobicContact CE2-CD2 4.1Å; F20-F127 HydrophobicContact CE2-CG 4.11Å; F20-F127 HydrophobicContact CZ-CB 3.79Å; F20-L128 HydrophobicContact CE1-CD2 3.66Å; F20-L128 HydrophobicContact CE1-CG 3.88Å; F20-L128 HydrophobicContact CZ-CD2 4.05Å; F20-L128 HydrophobicContact CZ-CG 3.89Å; F20-A135 HydrophobicContact CD1-CB 4.28Å; F20-A135 HydrophobicContact CE1-CB 4.25Å; F20-M218 HydrophobicContact CD1-SD 4.1Å; F20-M218 WeakPolarHBondContact O-CB 3.4Å
21S92.4Very high94.7Very high14 Ų1435.1 Ų35.110%0.09818%0.177CC..  trans-101.1159.3179.984.80000113.6E17 V18 L19 F30 S219 N224E17-S21 PolarHBondContact O-N 2.88Å; V18-S21 PolarHBondContact O-N 3.27Å; V18-S21 PolarHBondContact O-OG 3.01Å; L19-S21 VanDerWaalsContact C-N 3.25Å; L19-S21 PolarHBondContact O-N 2.71Å; S21-F30 WeakPolarHBondContact OG-CD2 3.49Å; S21-F30 WeakPolarHBondContact OG-CE2 3.25Å; S21-S219 PolarHBondContact O-N 3.23Å; S21-N224 PolarHBondContact O-ND2 3.46Å
22G87.3Confident94.7Very high3 Ų329.4 Ų29.43%0.03115%0.15CC..SBendtrans-94.8-117.9153.200000109.2V223G22-V223 WeakPolarHBondContact O-CG1 3.27Å
23F89.4Confident94.8Very high38 Ų3827.1 Ų27.117%0.16714%0.136CC..SBendtrans-68.8154.5165.1-66-85.2000111.2R203 F206 V223F23-R203 HydrophobicContact CE2-CG 3.77Å; F23-R203 HydrophobicContact CZ-CG 3.94Å; F23-F206 HydrophobicContact CD2-CB 4.06Å; F23-F206 HydrophobicContact CD2-CD2 4.02Å; F23-F206 HydrophobicContact CD2-CG 4.17Å; F23-F206 HydrophobicContact CE2-CD2 4.33Å; F23-V223 HydrophobicContact CD1-CG1 4.49Å; F23-V223 HydrophobicContact CD1-CG2 3.83Å; F23-V223 HydrophobicContact CE1-CG2 3.28Å; F23-V223 HydrophobicContact CE2-CG2 4.17Å; F23-V223 HydrophobicContact CG-CG1 4.45Å; F23-V223 HydrophobicContact CG-CG2 4.47Å; F23-V223 HydrophobicContact CZ-CG2 3.48Å; F23-V223 VanDerWaalsContact CZ-CG2 3.48Å
24A92.6Very high94.7Very high3 Ų326.9 Ų26.93%0.02515%0.145CC..  trans-65.3153.7167.200000110.1D26 G27 G28 F30A24-D26 WeakPolarHBondContact CB-OD1 3.49Å; A24-D26 PolarHBondContact O-N 3.17Å; A24-G27 WeakPolarHBondContact O-CA 3.43Å; A24-G27 PolarHBondContact O-N 3.32Å; A24-G28 PolarHBondContact N-O 2.98Å; A24-F30 HydrophobicContact CB-CD2 4.4Å; A24-F30 HydrophobicContact CB-CE1 4.16Å; A24-F30 HydrophobicContact CB-CE2 3.93Å; A24-F30 HydrophobicContact CB-CZ 3.8Å
25P90Very high94.6Very high70 Ų7026.4 Ų26.446%0.45514%0.143SC..THydrogen-bonded Turntrans-51.7-25.5178.3-31.331.6000116.4V10 G27V10-P25 HydrophobicContact CG2-CB 4.23Å; V10-P25 HydrophobicContact CG2-CG 4.15Å; P25-G27 VanDerWaalsContact C-N 3.29Å
26D91.9Very high94.6Very high33 Ų3327.6 Ų27.618%0.17615%0.15CC..THydrogen-bonded Turntrans-899.3176.163.8-1000113.5S5 R7 G9 A24 G28S5-D26 WeakPolarHBondContact CB-OD1 3.33Å; S5-D26 VanDerWaalsContact CB-OD2 3.28Å; S5-D26 WeakPolarHBondContact CB-OD2 3.36Å; S5-D26 PolarHBondContact OG-OD1 3.48Å; S5-D26 PolarHBondContact OG-OD2 2.62Å; R7-D26 WeakPolarHBondContact CB-OD2 3.17Å; R7-D26 WeakPolarHBondContact CD-O 3.47Å; G9-D26 WeakPolarHBondContact CA-OD2 3.46Å; G9-D26 PolarHBondContact N-OD2 3.15Å; A24-D26 WeakPolarHBondContact CB-OD1 3.49Å; A24-D26 PolarHBondContact O-N 3.17Å; D26-G28 VanDerWaalsContact C-N 3.27Å; D26-G28 PolarHBondContact O-N 2.8Å; D26-G28 PolarHBondContact OD1-N 2.75Å
27G90.4Very high94.5Very high25 Ų2528.2 Ų28.226%0.25817%0.172SC..SBendtrans80.8-0.9-177.400000114.7R7 A24 P25R7-G27 PolarHBondContact NE-O 3.12Å; R7-G27 PolarHBondContact NH2-O 3.35Å; A24-G27 WeakPolarHBondContact O-CA 3.43Å; A24-G27 PolarHBondContact O-N 3.32Å; P25-G27 VanDerWaalsContact C-N 3.29Å
28G94.5Very high94.6Very high0 Ų025.2 Ų25.20%016%0.159CC..  trans-80.2-173.2177.700000113.8A24 D26 E334A24-G28 PolarHBondContact N-O 2.98Å; D26-G28 VanDerWaalsContact C-N 3.27Å; D26-G28 PolarHBondContact O-N 2.8Å; D26-G28 PolarHBondContact OD1-N 2.75Å; G28-E334 WeakPolarHBondContact CA-OE1 3.39Å
29M95.3Very high94.5Very high2 Ų227.4 Ų27.41%0.0117%0.174CC..  trans-113.2150.5173.3-72179.2-7600110.6S5 T6 V223 Y331 E334 R335S5-M29 CarbonylContact C-O 3.52Å; S5-M29 WeakPolarHBondContact CA-O 3.36Å; T6-M29 HydrophobicContact CG2-CB 4.41Å; T6-M29 WeakPolarHBondContact CG2-O 3.46Å; T6-M29 PolarHBondContact N-O 3.14Å; T6-M29 PolarHBondContact OG1-N 2.75Å; T6-M29 PolarHBondContact OG1-O 2.8Å; M29-V223 HydrophobicContact CG-CG2 3.95Å; M29-V223 HydrophobicContact SD-CG2 4.01Å; M29-Y331 WeakPolarHBondContact CE-O 3.44Å; M29-Y331 HydrophobicContact SD-CD2 4.37Å; M29-E334 HydrophobicContact CE-CB 3.45Å; M29-E334 VanDerWaalsContact CE-CB 3.45Å; M29-E334 HydrophobicContact CE-CG 3.68Å; M29-R335 HydrophobicContact CB-CG 4.49Å; M29-R335 HydrophobicContact CE-CG 3.83Å; M29-R335 HydrophobicContact SD-CG 4.23Å
30F97.4Very high94.3Very high9 Ų929.7 Ų29.74%0.03919%0.189CC..EExtended strand (participates in β ladder)trans-76.8139.5173.7-71.9-69.8000112.4C4 V10 R13 V18 S21 A24 R335C4-F30 WeakPolarHBondContact O-CA 3.31Å; V10-F30 HydrophobicContact CB-CE1 4.45Å; V10-F30 HydrophobicContact CG1-CE1 3.97Å; V10-F30 HydrophobicContact CG1-CZ 4.31Å; R13-F30 HydrophobicContact CB-CE1 4.28Å; R13-F30 HydrophobicContact CG-CE1 3.78Å; R13-F30 HydrophobicContact CG-CZ 4.23Å; V18-F30 HydrophobicContact CB-CB 4.31Å; V18-F30 HydrophobicContact CB-CD2 4.43Å; V18-F30 HydrophobicContact CB-CG 4.3Å; V18-F30 HydrophobicContact CG1-CB 3.54Å; V18-F30 HydrophobicContact CG1-CD2 4.2Å; V18-F30 HydrophobicContact CG1-CG 4Å; V18-F30 HydrophobicContact CG2-CB 3.83Å; V18-F30 HydrophobicContact CG2-CD1 3.7Å; V18-F30 HydrophobicContact CG2-CD2 3.99Å; V18-F30 HydrophobicContact CG2-CE1 4.23Å; V18-F30 HydrophobicContact CG2-CE2 4.47Å; V18-F30 HydrophobicContact CG2-CG 3.56Å; S21-F30 WeakPolarHBondContact OG-CD2 3.49Å; S21-F30 WeakPolarHBondContact OG-CE2 3.25Å; A24-F30 HydrophobicContact CB-CD2 4.4Å; A24-F30 HydrophobicContact CB-CE1 4.16Å; A24-F30 HydrophobicContact CB-CE2 3.93Å; A24-F30 HydrophobicContact CB-CZ 3.8Å; F30-R335 PolarHBondContact O-NE 3.4Å; F30-R335 PolarHBondContact O-NH2 3.47Å
31M97.9Very high94.2Very high0 Ų033.3 Ų33.30%021%0.206CC..EExtended strand (participates in β ladder)trans-140.7151.5174-74.1-65.9-71.300108.9Y3 C4 T6 W225 I282 R335 W338 L339Y3-M31 CarbonylContact C-O 3.54Å; Y3-M31 VanDerWaalsContact CA-O 3.31Å; Y3-M31 WeakPolarHBondContact CA-O 3.47Å; C4-M31 PolarHBondContact N-O 3.4Å; C4-M31 PolarHBondContact O-N 3.11Å; T6-M31 HydrophobicContact CG2-CB 4.45Å; T6-M31 HydrophobicContact CG2-CG 3.61Å; M31-W225 HydrophobicContact CE-CZ3 4.11Å; M31-W225 HydrophobicContact SD-CE3 3.9Å; M31-W225 HydrophobicContact SD-CZ3 3.51Å; M31-W225 VanDerWaalsContact SD-CZ3 3.51Å; M31-I282 HydrophobicContact CE-CD1 3.91Å; M31-I282 HydrophobicContact CE-CG1 4.03Å; M31-I282 HydrophobicContact SD-CD1 4.32Å; M31-R335 HydrophobicContact CG-CG 4.09Å; M31-R335 HydrophobicContact SD-CB 4.2Å; M31-R335 WeakPolarHBondContact SD-CD 3.49Å; M31-R335 HydrophobicContact SD-CG 3.68Å; M31-R335 PolarHBondContact SD-NE 2.92Å; M31-R335 VanDerWaalsContact SD-NE 3.43Å; M31-W338 HydrophobicContact CB-CE3 4.14Å; M31-W338 HydrophobicContact CB-CH2 3.95Å; M31-W338 HydrophobicContact CB-CZ3 3.76Å; M31-W338 HydrophobicContact CE-CE3 4.02Å; M31-W338 HydrophobicContact CE-CZ3 3.87Å; M31-W338 HydrophobicContact CG-CE3 4.04Å; M31-W338 HydrophobicContact CG-CZ3 4.12Å; M31-L339 HydrophobicContact CE-CD1 4.21Å; M31-L339 HydrophobicContact CE-CD2 4.26Å; M31-L339 HydrophobicContact CE-CG 4.26Å
32P97.6Very high94.4Very high0 Ų035 Ų350%022%0.216CC..EExtended strand (participates in β ladder)trans-65140172.728.9-35.9000109.8M1 W2 Y3 T34 L35 F62 W225 W338M1-P32 HydrophobicContact SD-CB 3.77Å; W2-P32 WeakPolarHBondContact O-CA 3.45Å; Y3-P32 HydrophobicContact CD1-CB 4.09Å; Y3-P32 HydrophobicContact CE1-CB 3.88Å; P32-T34 PolarHBondContact O-N 2.82Å; P32-L35 HydrophobicContact CG-CD2 3.58Å; P32-L35 HydrophobicContact CG-CG 4.5Å; P32-F62 HydrophobicContact CB-CD1 4.43Å; P32-F62 HydrophobicContact CB-CE1 4.47Å; P32-F62 HydrophobicContact CG-CD1 4.33Å; P32-F62 HydrophobicContact CG-CE1 3.99Å; P32-W225 VanDerWaalsContact CD-CH2 3.42Å; P32-W225 HydrophobicContact CG-CH2 3.85Å; P32-W225 HydrophobicContact CG-CZ2 3.94Å; P32-W338 WeakPolarHBondContact O-CH2 3.19Å
33E96.4Very high94.7Very high52 Ų5234.9 Ų34.924%0.24321%0.214CC..SBendtrans-60.6-32.6-179.9-72-179.4178.300111.9W2 C4 N12 R343W2-E33 HydrophobicContact CB-CG 4.3Å; W2-E33 PolarHBondContact O-N 3.25Å; C4-E33 HydrophobicContact CB-CG 3.76Å; N12-E33 PolarHBondContact N-OE1 3.21Å; E33-R343 PolarHBondContact O-NH1 2.69Å
34T95.1Very high94.9Very high89 Ų8936.5 Ų36.555%0.54622%0.22SC..SBendtrans-132.8133.1172.6-58.30000109.7P32P32-T34 PolarHBondContact O-N 2.82Å
35L96.9Very high95.1Very high28 Ų2840.3 Ų40.315%0.14725%0.246CC..PPolyproline II helixtrans-79127.6171.4-72.9177.2000109.9P32 A37 F62 I282 R285 L339P32-L35 HydrophobicContact CG-CD2 3.58Å; P32-L35 HydrophobicContact CG-CG 4.5Å; L35-A37 PolarHBondContact O-N 2.8Å; L35-F62 HydrophobicContact CD2-CE1 4.31Å; L35-I282 HydrophobicContact CD2-CG2 3.85Å; L35-R285 HydrophobicContact CD1-CB 3.51Å; L35-R285 HydrophobicContact CD1-CG 4.43Å; L35-L339 HydrophobicContact CD1-CD2 3.63Å
36P97Very high95.4Very high25 Ų2538 Ų3816%0.16223%0.228CC..PPolyproline II helixtrans-67.2129174.824.8-27.3000109.6M1 L61 F62 M286M1-P36 HydrophobicContact CE-CG 4.33Å; P36-L61 HydrophobicContact CB-CB 4.2Å; P36-L61 HydrophobicContact CG-CB 3.77Å; P36-L61 HydrophobicContact CG-CD1 4.37Å; P36-F62 HydrophobicContact CG-CD1 4.2Å; P36-F62 HydrophobicContact CG-CE1 3.63Å; P36-F62 HydrophobicContact CG-CE2 4.4Å; P36-F62 HydrophobicContact CG-CZ 3.75Å; P36-M286 HydrophobicContact CG-CE 4.24Å; P36-M286 WeakPolarHBondContact O-CB 3.32Å; P36-M286 WeakPolarHBondContact O-CG 3.48Å
37A96.3Very high95.5Very high91 Ų9141.1 Ų41.175%0.75224%0.24SC*.PPolyproline II helixtrans-83.7136.7174.300000110.1L35 M286L35-A37 PolarHBondContact O-N 2.8Å; A37-M286 CarbonylContact C-O 3.58Å; A37-M286 WeakPolarHBondContact CA-O 3.47Å
38V97.1Very high95.7Very high9 Ų942.7 Ų42.76%0.05526%0.256CS..  trans-108.9118.1175.5-173.50000108.1T42 L43 W46 L61 F236 M286V38-T42 HydrophobicContact CG1-CG2 3.66Å; V38-L43 HydrophobicContact CB-CD2 4.45Å; V38-L43 HydrophobicContact CG1-CD2 3.69Å; V38-L43 HydrophobicContact CG1-CG 3.93Å; V38-W46 HydrophobicContact CG1-CH2 4.49Å; V38-L61 HydrophobicContact CG2-CD1 3.83Å; V38-F236 HydrophobicContact CB-CE1 4.13Å; V38-F236 HydrophobicContact CB-CZ 4.41Å; V38-F236 HydrophobicContact CG1-CE1 4.15Å; V38-F236 HydrophobicContact CG2-CE1 3.85Å; V38-F236 HydrophobicContact CG2-CZ 3.86Å; V38-M286 HydrophobicContact CG2-CE 4.11Å; V38-M286 PolarHBondContact N-O 3.13Å
39S95.6Very high95.8Very high45 Ų4544.9 Ų44.932%0.31527%0.267SS..  trans-73.3158.1-176.781.90000112E41 T42 L43S39-E41 VanDerWaalsContact CB-OE2 3.32Å; S39-E41 WeakPolarHBondContact CB-OE2 3.28Å; S39-E41 PolarHBondContact O-N 3.3Å; S39-E41 PolarHBondContact OG-N 2.89Å; S39-E41 PolarHBondContact OG-OE2 2.63Å; S39-T42 PolarHBondContact O-N 3.19Å; S39-T42 VanDerWaalsContact O-N 3.13Å; S39-T42 PolarHBondContact OG-N 3.37Å; S39-T42 PolarHBondContact OG-OG1 2.84Å; S39-L43 WeakPolarHBondContact O-CG 3.2Å; S39-L43 PolarHBondContact O-N 2.9Å
40P93.9Very high95.9Very high48 Ų4853.3 Ų53.331%0.31230%0.299SS..Hα-helixtrans-53.2-35.8172-27.136000113.6L43 R44 L262P40-L43 PolarHBondContact O-N 3.08Å; P40-R44 VanDerWaalsContact O-CG 3.29Å; P40-R44 WeakPolarHBondContact O-CG 3.35Å; P40-R44 PolarHBondContact O-N 3.48Å; P40-L262 HydrophobicContact CB-CD1 3.88Å; P40-L262 HydrophobicContact CB-CD2 4.08Å; P40-L262 HydrophobicContact CB-CG 4.02Å; P40-L262 HydrophobicContact CG-CD1 3.93Å; P40-L262 HydrophobicContact CG-CG 4.39Å
41E93.3Very high95.9Very high115 Ų11552.9 Ų52.954%0.53730%0.297SS..Hα-helixtrans-66.3-46178.2-61.562.6-125.400110.6S39 L43 R44 S45S39-E41 VanDerWaalsContact CB-OE2 3.32Å; S39-E41 WeakPolarHBondContact CB-OE2 3.28Å; S39-E41 PolarHBondContact O-N 3.3Å; S39-E41 PolarHBondContact OG-N 2.89Å; S39-E41 PolarHBondContact OG-OE2 2.63Å; E41-L43 PolarHBondContact O-N 3.43Å; E41-R44 PolarHBondContact O-N 3.49Å; E41-R44 IonicContact OE1-NH1 2.76Å; E41-R44 PolarHBondContact OE1-NH1 3.2Å; E41-S45 PolarHBondContact O-N 2.83Å
42T95.6Very high95.9Very high49 Ų4955.4 Ų55.430%0.30131%0.309SS..Hα-helixtrans-60.7-45.1175-59.10000110.8V38 S39 R44 S45 W46V38-T42 HydrophobicContact CG1-CG2 3.66Å; S39-T42 PolarHBondContact O-N 3.19Å; S39-T42 VanDerWaalsContact O-N 3.13Å; S39-T42 PolarHBondContact OG-N 3.37Å; S39-T42 PolarHBondContact OG-OG1 2.84Å; T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact O-N 3.44Å; T42-S45 WeakPolarHBondContact O-CB 3.5Å; T42-S45 PolarHBondContact O-N 3.31Å; T42-S45 VanDerWaalsContact O-N 3.09Å; T42-S45 PolarHBondContact O-OG 3.04Å; T42-W46 HydrophobicContact CG2-CD2 4.23Å; T42-W46 HydrophobicContact CG2-CZ2 3.77Å; T42-W46 PolarHBondContact O-N 3.07Å
43L95.3Very high95.9Very high1 Ų159.2 Ų59.21%0.00532%0.323CS..Hα-helixtrans-59.2-43.4176.2-66.9176.8000112.4V38 S39 P40 E41 S45 W46 K47 F236 Y239 L240 L262 L288V38-L43 HydrophobicContact CB-CD2 4.45Å; V38-L43 HydrophobicContact CG1-CD2 3.69Å; V38-L43 HydrophobicContact CG1-CG 3.93Å; S39-L43 WeakPolarHBondContact O-CG 3.2Å; S39-L43 PolarHBondContact O-N 2.9Å; P40-L43 PolarHBondContact O-N 3.08Å; E41-L43 PolarHBondContact O-N 3.43Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 3.07Å; L43-W46 PolarHBondContact O-N 3.26Å; L43-K47 PolarHBondContact O-N 3.19Å; L43-F236 HydrophobicContact CD2-CD1 3.88Å; L43-F236 HydrophobicContact CD2-CE1 3.72Å; L43-Y239 HydrophobicContact CD1-CE1 4.31Å; L43-L240 WeakPolarHBondContact O-CD2 3.41Å; L43-L262 HydrophobicContact CD1-CD1 3.78Å; L43-L288 HydrophobicContact CD1-CD1 3.81Å; L43-L288 HydrophobicContact CD2-CD1 3.34Å; L43-L288 HydrophobicContact CG-CD1 4.22Å
44R93.6Very high96Very high73 Ų7356.7 Ų56.728%0.27531%0.312SS..Hα-helixtrans-63.6-38.4175.3-70.2178.1-161.8112.7-6.2111.5P40 E41 T42 W46 K47 L245 G260P40-R44 VanDerWaalsContact O-CG 3.29Å; P40-R44 WeakPolarHBondContact O-CG 3.35Å; P40-R44 PolarHBondContact O-N 3.48Å; E41-R44 PolarHBondContact O-N 3.49Å; E41-R44 IonicContact OE1-NH1 2.76Å; E41-R44 PolarHBondContact OE1-NH1 3.2Å; T42-R44 VanDerWaalsContact C-N 3.34Å; T42-R44 PolarHBondContact O-N 3.44Å; R44-W46 PolarHBondContact O-N 2.81Å; R44-K47 VanDerWaalsContact O-CB 3.24Å; R44-K47 WeakPolarHBondContact O-CB 3.43Å; R44-K47 PolarHBondContact O-N 2.71Å; R44-L245 HydrophobicContact CG-CD1 3.99Å; R44-L245 HydrophobicContact CG-CG 4.48Å; R44-G260 PolarHBondContact NH2-O 2.84Å
45S95.3Very high96.2Very high82 Ų8252.5 Ų52.557%0.57329%0.286SS*.Hα-helixtrans-66.5-26.5176.581.30000113.3E41 T42 L43 K47E41-S45 PolarHBondContact O-N 2.83Å; T42-S45 WeakPolarHBondContact O-CB 3.5Å; T42-S45 PolarHBondContact O-N 3.31Å; T42-S45 VanDerWaalsContact O-N 3.09Å; T42-S45 PolarHBondContact O-OG 3.04Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 3.07Å; S45-K47 VanDerWaalsContact C-N 3.31Å
46W96.9Very high96.3Very high22 Ų2251.3 Ų51.38%0.08328%0.28CS..THydrogen-bonded Turntrans-84.1-4.8177.1-68.14.2000113.3V38 T42 L43 R44 G48 L49 E57 V58 L61 F236 L240V38-W46 HydrophobicContact CG1-CH2 4.49Å; T42-W46 HydrophobicContact CG2-CD2 4.23Å; T42-W46 HydrophobicContact CG2-CZ2 3.77Å; T42-W46 PolarHBondContact O-N 3.07Å; L43-W46 PolarHBondContact O-N 3.26Å; R44-W46 PolarHBondContact O-N 2.81Å; W46-G48 PolarHBondContact O-N 2.72Å; W46-L49 HydrophobicContact CB-CD1 3.8Å; W46-L49 HydrophobicContact CB-CG 4.36Å; W46-L49 HydrophobicContact CG-CD1 3.83Å; W46-L49 WeakPolarHBondContact O-CB 3.27Å; W46-L49 VanDerWaalsContact O-CG 3.26Å; W46-L49 WeakPolarHBondContact O-CG 3.29Å; W46-L49 PolarHBondContact O-N 2.85Å; W46-L49 VanDerWaalsContact O-N 3.12Å; W46-E57 HydrophobicContact CD2-CB 4.46Å; W46-E57 HydrophobicContact CH2-CB 3.73Å; W46-E57 HydrophobicContact CZ2-CB 3.48Å; W46-E57 VanDerWaalsContact CZ2-CB 3.48Å; W46-E57 HydrophobicContact CZ2-CG 4.16Å; W46-E57 HydrophobicContact CZ3-CB 4.31Å; W46-V58 HydrophobicContact CH2-CG2 4.3Å; W46-V58 HydrophobicContact CZ3-CG2 3.93Å; W46-L61 HydrophobicContact CH2-CD1 4.17Å; W46-F236 AromaticContact CE3-CD1 3.91Å; W46-F236 HydrophobicContact CE3-CD1 3.91Å; W46-F236 HydrophobicContact CE3-CE1 4.39Å; W46-F236 AromaticContact CZ3-CD1 3.53Å; W46-F236 HydrophobicContact CZ3-CD1 3.53Å; W46-F236 AromaticContact CZ3-CE1 3.75Å; W46-F236 HydrophobicContact CZ3-CE1 3.75Å; W46-F236 HydrophobicContact CZ3-CG 4.38Å; W46-L240 HydrophobicContact CB-CD1 3.88Å; W46-L240 HydrophobicContact CB-CD2 4.04Å
47K95Very high96.3Very high99 Ų9952 Ų5243%0.4328%0.281SS..THydrogen-bonded Turntrans-60.3129.5176.9-176.3177.3173.6177.70110.1L43 R44 S45 L49 L245 G246L43-K47 PolarHBondContact O-N 3.19Å; R44-K47 VanDerWaalsContact O-CB 3.24Å; R44-K47 WeakPolarHBondContact O-CB 3.43Å; R44-K47 PolarHBondContact O-N 2.71Å; S45-K47 VanDerWaalsContact C-N 3.31Å; K47-L49 VanDerWaalsContact C-N 3.32Å; K47-L245 WeakPolarHBondContact CD-O 3.47Å; K47-L245 WeakPolarHBondContact CE-O 3.41Å; K47-L245 PolarHBondContact NZ-O 3.03Å; K47-G246 VanDerWaalsContact NZ-C 3.27Å; K47-G246 PolarHBondContact NZ-O 2.84Å
48G93.6Very high96.5Very high57 Ų5747.7 Ų47.759%0.58825%0.245SC*.THydrogen-bonded Turntrans83.61.2-179.100000114.8W46W46-G48 PolarHBondContact O-N 2.72Å
49L97.1Very high96.5Very high46 Ų4647.3 Ų47.324%0.24124%0.243CC..  trans-65.8136.3169.1-67.3-173.5000110.6W46 K47 R53 V54 E57W46-L49 HydrophobicContact CB-CD1 3.8Å; W46-L49 HydrophobicContact CB-CG 4.36Å; W46-L49 HydrophobicContact CG-CD1 3.83Å; W46-L49 WeakPolarHBondContact O-CB 3.27Å; W46-L49 VanDerWaalsContact O-CG 3.26Å; W46-L49 WeakPolarHBondContact O-CG 3.29Å; W46-L49 PolarHBondContact O-N 2.85Å; W46-L49 VanDerWaalsContact O-N 3.12Å; K47-L49 VanDerWaalsContact C-N 3.32Å; L49-R53 HydrophobicContact CB-CB 4.34Å; L49-R53 HydrophobicContact CB-CG 4.48Å; L49-R53 HydrophobicContact CD1-CG 4.01Å; L49-R53 HydrophobicContact CD2-CG 3.98Å; L49-R53 HydrophobicContact CG-CG 4.38Å; L49-V54 HydrophobicContact CB-CG2 3.84Å; L49-E57 HydrophobicContact CD1-CG 4.23Å
50R96.9Very high96.7Very high180 Ų18046.8 Ų46.868%0.67924%0.241SC*.  trans-63.7154169.9-68.3-176.4179.6169.62.3110.7Q52 R53 V54 D88R50-Q52 VanDerWaalsContact C-N 3.31Å; R50-Q52 PolarHBondContact O-N 3.22Å; R50-R53 WeakPolarHBondContact O-CA 3.38Å; R50-R53 WeakPolarHBondContact O-CB 3.2Å; R50-R53 PolarHBondContact O-N 3.46Å; R50-V54 PolarHBondContact O-N 2.99Å; R50-D88 WeakPolarHBondContact CB-OD1 3.25Å; R50-D88 VanDerWaalsContact CD-OD1 3.25Å; R50-D88 WeakPolarHBondContact CD-OD1 3.17Å; R50-D88 WeakPolarHBondContact CG-OD1 3.31Å; R50-D88 IonicContact NE-OD1 3.12Å
51Y98.1Very high96.9Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-51.3-46.8-177.8177.7-103.8000113.4R53 V54 V55 L81 D88 V90 L115 H234 Y237Y51-R53 VanDerWaalsContact C-N 3.26Å; Y51-R53 PolarHBondContact O-N 3.48Å; Y51-V54 WeakPolarHBondContact O-CA 3.34Å; Y51-V54 WeakPolarHBondContact O-CB 3.48Å; Y51-V54 PolarHBondContact O-N 3.49Å; Y51-V55 HydrophobicContact CD1-CG2 4.08Å; Y51-V55 HydrophobicContact CE1-CG2 3.55Å; Y51-V55 HydrophobicContact CE2-CG2 4.04Å; Y51-V55 WeakPolarHBondContact O-CG2 3.44Å; Y51-V55 PolarHBondContact O-N 2.9Å; Y51-L81 HydrophobicContact CD1-CD1 4.24Å; Y51-L81 HydrophobicContact CE1-CD1 3.99Å; Y51-D88 WeakPolarHBondContact CB-O 3.15Å; Y51-D88 WeakPolarHBondContact CD1-O 3.3Å; Y51-V90 HydrophobicContact CD1-CG1 4.01Å; Y51-V90 HydrophobicContact CD1-CG2 4.25Å; Y51-V90 HydrophobicContact CD2-CG1 4.08Å; Y51-V90 HydrophobicContact CD2-CG2 3.7Å; Y51-V90 HydrophobicContact CE1-CG1 3.94Å; Y51-V90 HydrophobicContact CE2-CG1 4Å; Y51-V90 HydrophobicContact CE2-CG2 4.4Å; Y51-V90 HydrophobicContact CG-CG1 4.09Å; Y51-V90 HydrophobicContact CG-CG2 3.61Å; Y51-L115 HydrophobicContact CE1-CD2 3.74Å; Y51-H234 HydrophobicContact CE2-CB 3.85Å; Y51-Y237 AromaticContact CD2-CD1 3.92Å; Y51-Y237 HydrophobicContact CD2-CD1 3.92Å; Y51-Y237 HydrophobicContact CD2-CD2 4.09Å; Y51-Y237 AromaticContact CD2-CG 3.65Å; Y51-Y237 HydrophobicContact CD2-CG 3.65Å; Y51-Y237 HydrophobicContact CG-CG 4.5Å
52Q97.1Very high97.1Very high53 Ų5341.7 Ų41.725%0.24822%0.215CC..Hα-helixtrans-58.5-38.8178.6-62.1-179.6-1.200112.2R50 V55 L56 L81R50-Q52 VanDerWaalsContact C-N 3.31Å; R50-Q52 PolarHBondContact O-N 3.22Å; Q52-V55 PolarHBondContact O-N 3.25Å; Q52-L56 WeakPolarHBondContact O-CB 3.42Å; Q52-L56 PolarHBondContact O-N 3.35Å; Q52-L81 HydrophobicContact CB-CD1 4.33Å; Q52-L81 HydrophobicContact CG-CB 3.96Å; Q52-L81 HydrophobicContact CG-CD1 3.85Å
53R98.1Very high97.3Very high79 Ų7939.5 Ų39.530%0.29820%0.201SC..Hα-helixtrans-69.8-37.8176.2-168.869.7-168.1-173.20.5111.4L49 R50 Y51 L56 E57 E74L49-R53 HydrophobicContact CB-CB 4.34Å; L49-R53 HydrophobicContact CB-CG 4.48Å; L49-R53 HydrophobicContact CD1-CG 4.01Å; L49-R53 HydrophobicContact CD2-CG 3.98Å; L49-R53 HydrophobicContact CG-CG 4.38Å; R50-R53 WeakPolarHBondContact O-CA 3.38Å; R50-R53 WeakPolarHBondContact O-CB 3.2Å; R50-R53 PolarHBondContact O-N 3.46Å; Y51-R53 VanDerWaalsContact C-N 3.26Å; Y51-R53 PolarHBondContact O-N 3.48Å; R53-L56 WeakPolarHBondContact O-CB 3.33Å; R53-L56 PolarHBondContact O-N 2.98Å; R53-E57 IonicContact CZ-OE1 3.37Å; R53-E57 IonicContact NE-OE1 2.7Å; R53-E57 PolarHBondContact NE-OE1 3.16Å; R53-E57 IonicContact NH2-OE1 2.84Å; R53-E57 PolarHBondContact NH2-OE1 3.44Å; R53-E57 WeakPolarHBondContact O-CG 3.45Å; R53-E57 PolarHBondContact O-N 2.82Å; R53-E74 IonicContact NH1-OE1 3.5Å; R53-E74 PolarHBondContact NH1-OE1 2.85Å; R53-E74 IonicContact NH1-OE2 3.03Å; R53-E74 PolarHBondContact NH1-OE2 2.97Å
54V98.6Very high97.4Very high0 Ų040.6 Ų40.60%021%0.208CC..Hα-helixtrans-62.6-42.51731790000111.3L49 R50 Y51 L56 E57 V58 F236 Y237 L240L49-V54 HydrophobicContact CB-CG2 3.84Å; R50-V54 PolarHBondContact O-N 2.99Å; Y51-V54 WeakPolarHBondContact O-CA 3.34Å; Y51-V54 WeakPolarHBondContact O-CB 3.48Å; Y51-V54 PolarHBondContact O-N 3.49Å; V54-L56 VanDerWaalsContact C-N 3.28Å; V54-L56 PolarHBondContact O-N 3.43Å; V54-E57 PolarHBondContact O-N 3.45Å; V54-V58 HydrophobicContact CG1-CG2 4.35Å; V54-V58 WeakPolarHBondContact O-CB 3.33Å; V54-V58 WeakPolarHBondContact O-CG2 3.48Å; V54-V58 PolarHBondContact O-N 2.98Å; V54-F236 HydrophobicContact CG1-CB 3.67Å; V54-Y237 HydrophobicContact CG2-CD2 4.22Å; V54-L240 HydrophobicContact CG2-CD1 3.88Å
55V98.7Very high97.6Very high0 Ų043 Ų430%022%0.222CC..Hα-helixtrans-57.2-44.9173.9172.90000110.8Y51 Q52 A59 V77 L81 I230 A233Y51-V55 HydrophobicContact CD1-CG2 4.08Å; Y51-V55 HydrophobicContact CE1-CG2 3.55Å; Y51-V55 HydrophobicContact CE2-CG2 4.04Å; Y51-V55 WeakPolarHBondContact O-CG2 3.44Å; Y51-V55 PolarHBondContact O-N 2.9Å; Q52-V55 PolarHBondContact O-N 3.25Å; V55-A59 VanDerWaalsContact O-CB 3.22Å; V55-A59 WeakPolarHBondContact O-CB 3.34Å; V55-A59 PolarHBondContact O-N 3.45Å; V55-V77 HydrophobicContact CB-CG1 4.05Å; V55-V77 HydrophobicContact CG1-CG1 3.75Å; V55-V77 HydrophobicContact CG1-CG2 4.22Å; V55-L81 HydrophobicContact CB-CD1 4.34Å; V55-L81 HydrophobicContact CG1-CD1 4.38Å; V55-L81 HydrophobicContact CG2-CD1 4.1Å; V55-I230 HydrophobicContact CG1-CD1 3.75Å; V55-I230 HydrophobicContact CG1-CG2 4.33Å; V55-A233 HydrophobicContact CB-CB 4.24Å; V55-A233 HydrophobicContact CG2-CB 3.77Å
56L98.7Very high97.7Very high4 Ų447 Ų472%0.02123%0.232CC..Hα-helixtrans-64.2-48.7179.3179.758.6000112.9Q52 R53 V54 V58 A59 A60 L73 E74 V77Q52-L56 WeakPolarHBondContact O-CB 3.42Å; Q52-L56 PolarHBondContact O-N 3.35Å; R53-L56 WeakPolarHBondContact O-CB 3.33Å; R53-L56 PolarHBondContact O-N 2.98Å; V54-L56 VanDerWaalsContact C-N 3.28Å; V54-L56 PolarHBondContact O-N 3.43Å; L56-V58 VanDerWaalsContact C-N 3.35Å; L56-V58 PolarHBondContact O-N 3.43Å; L56-A59 PolarHBondContact O-N 2.88Å; L56-A60 WeakPolarHBondContact O-CB 3.29Å; L56-A60 PolarHBondContact O-N 3.01Å; L56-L73 HydrophobicContact CD1-CB 4.17Å; L56-L73 HydrophobicContact CD1-CD2 3.94Å; L56-L73 HydrophobicContact CD1-CG 3.63Å; L56-E74 HydrophobicContact CD1-CB 4.19Å; L56-E74 HydrophobicContact CD2-CB 3.76Å; L56-E74 HydrophobicContact CD2-CG 3.63Å; L56-V77 HydrophobicContact CB-CG1 4.42Å; L56-V77 HydrophobicContact CD1-CG2 4.3Å
57E98.7Very high97.7Very high39 Ų3947.3 Ų47.318%0.18224%0.235CC..Hα-helixtrans-63.9-40.8178.5-61.1-51.7161.800111.7W46 L49 R53 V54 A60 L61 R70W46-E57 HydrophobicContact CD2-CB 4.46Å; W46-E57 HydrophobicContact CH2-CB 3.73Å; W46-E57 HydrophobicContact CZ2-CB 3.48Å; W46-E57 VanDerWaalsContact CZ2-CB 3.48Å; W46-E57 HydrophobicContact CZ2-CG 4.16Å; W46-E57 HydrophobicContact CZ3-CB 4.31Å; L49-E57 HydrophobicContact CD1-CG 4.23Å; R53-E57 IonicContact CZ-OE1 3.37Å; R53-E57 IonicContact NE-OE1 2.7Å; R53-E57 PolarHBondContact NE-OE1 3.16Å; R53-E57 IonicContact NH2-OE1 2.84Å; R53-E57 PolarHBondContact NH2-OE1 3.44Å; R53-E57 WeakPolarHBondContact O-CG 3.45Å; R53-E57 PolarHBondContact O-N 2.82Å; V54-E57 PolarHBondContact O-N 3.45Å; E57-A60 PolarHBondContact O-N 3.36Å; E57-L61 WeakPolarHBondContact O-CG 3.28Å; E57-L61 PolarHBondContact O-N 3.1Å; E57-R70 VanDerWaalsContact CD-NH2 3.3Å; E57-R70 IonicContact OE1-NH2 3.09Å; E57-R70 PolarHBondContact OE1-NH2 3.47Å; E57-R70 VanDerWaalsContact OE1-NH2 3.13Å; E57-R70 IonicContact OE2-NH2 3.53Å; E57-R70 PolarHBondContact OE2-NH2 2.94Å
58V98.6Very high97.9Very high1 Ų142.7 Ų42.71%0.00622%0.215CC..Hα-helixtrans-65.9-44.7176.5171.10000111W46 V54 L56 A60 L61 F62 V232 A233 F236W46-V58 HydrophobicContact CH2-CG2 4.3Å; W46-V58 HydrophobicContact CZ3-CG2 3.93Å; V54-V58 HydrophobicContact CG1-CG2 4.35Å; V54-V58 WeakPolarHBondContact O-CB 3.33Å; V54-V58 WeakPolarHBondContact O-CG2 3.48Å; V54-V58 PolarHBondContact O-N 2.98Å; L56-V58 VanDerWaalsContact C-N 3.35Å; L56-V58 PolarHBondContact O-N 3.43Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 3.46Å; V58-L61 WeakPolarHBondContact O-CB 3.27Å; V58-L61 PolarHBondContact O-N 2.98Å; V58-F62 HydrophobicContact CG1-CD2 4.47Å; V58-F62 HydrophobicContact CG1-CE2 4.16Å; V58-F62 WeakPolarHBondContact O-CD2 3.34Å; V58-V232 HydrophobicContact CG1-CB 4.15Å; V58-V232 HydrophobicContact CG1-CG1 3.95Å; V58-A233 HydrophobicContact CB-CB 4.05Å; V58-A233 HydrophobicContact CG1-CB 4.21Å; V58-A233 HydrophobicContact CG2-CB 4.21Å; V58-F236 HydrophobicContact CG2-CB 4.25Å; V58-F236 HydrophobicContact CG2-CD1 4.36Å; V58-F236 HydrophobicContact CG2-CD2 4.02Å; V58-F236 HydrophobicContact CG2-CE2 4.47Å; V58-F236 HydrophobicContact CG2-CG 3.95Å
59A98.7Very high98.1Very high1 Ų142.6 Ų42.61%0.00820%0.204CC..Hα-helixtrans-61.9-40.1178.200000112.1V55 L56 L61 F62 I63 L73 M229 I230V55-A59 VanDerWaalsContact O-CB 3.22Å; V55-A59 WeakPolarHBondContact O-CB 3.34Å; V55-A59 PolarHBondContact O-N 3.45Å; L56-A59 PolarHBondContact O-N 2.88Å; A59-L61 PolarHBondContact O-N 3.32Å; A59-F62 PolarHBondContact O-N 3.39Å; A59-I63 HydrophobicContact CB-CD1 4.31Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å; A59-I63 PolarHBondContact O-N 2.94Å; A59-L73 HydrophobicContact CB-CD2 4.29Å; A59-M229 HydrophobicContact CB-CE 4.23Å; A59-I230 HydrophobicContact CB-CD1 4.47Å
60A98.5Very high98.2Very high33 Ų3342.5 Ų42.527%0.27320%0.201SC..Hα-helixtrans-62.4-24.4178.300000113.5L56 E57 V58 F62 L73L56-A60 WeakPolarHBondContact O-CB 3.29Å; L56-A60 PolarHBondContact O-N 3.01Å; E57-A60 PolarHBondContact O-N 3.36Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 3.46Å; A60-F62 PolarHBondContact O-N 3.42Å; A60-L73 HydrophobicContact CB-CD2 4.1Å
61L98.4Very high98.3Very high56 Ų5640 Ų4029%0.29320%0.201SC..THydrogen-bonded Turntrans-68.7-22.5172.9-62.7175000113M1 P36 V38 W46 E57 V58 A59 M286M1-L61 VanDerWaalsContact CE-O 3.29Å; M1-L61 WeakPolarHBondContact CE-O 3.37Å; P36-L61 HydrophobicContact CB-CB 4.2Å; P36-L61 HydrophobicContact CG-CB 3.77Å; P36-L61 HydrophobicContact CG-CD1 4.37Å; V38-L61 HydrophobicContact CG2-CD1 3.83Å; W46-L61 HydrophobicContact CH2-CD1 4.17Å; E57-L61 WeakPolarHBondContact O-CG 3.28Å; E57-L61 PolarHBondContact O-N 3.1Å; V58-L61 WeakPolarHBondContact O-CB 3.27Å; V58-L61 PolarHBondContact O-N 2.98Å; A59-L61 PolarHBondContact O-N 3.32Å; L61-M286 HydrophobicContact CD1-CE 3.83Å
62F98.5Very high98.3Very high0 Ų043.2 Ų43.20%022%0.218CC..THydrogen-bonded Turntrans-113-20.6-172.7-66.5-68.8000113.4M1 Y3 P32 L35 P36 V58 A59 A60 W225 M229 M286M1-F62 HydrophobicContact CE-CD1 4.28Å; M1-F62 WeakPolarHBondContact CG-O 3.42Å; Y3-F62 WeakPolarHBondContact OH-CB 3.36Å; Y3-F62 PolarHBondContact OH-O 2.98Å; P32-F62 HydrophobicContact CB-CD1 4.43Å; P32-F62 HydrophobicContact CB-CE1 4.47Å; P32-F62 HydrophobicContact CG-CD1 4.33Å; P32-F62 HydrophobicContact CG-CE1 3.99Å; L35-F62 HydrophobicContact CD2-CE1 4.31Å; P36-F62 HydrophobicContact CG-CD1 4.2Å; P36-F62 HydrophobicContact CG-CE1 3.63Å; P36-F62 HydrophobicContact CG-CE2 4.4Å; P36-F62 HydrophobicContact CG-CZ 3.75Å; V58-F62 HydrophobicContact CG1-CD2 4.47Å; V58-F62 HydrophobicContact CG1-CE2 4.16Å; V58-F62 WeakPolarHBondContact O-CD2 3.34Å; A59-F62 PolarHBondContact O-N 3.39Å; A60-F62 PolarHBondContact O-N 3.42Å; F62-W225 AromaticContact CD1-CZ2 3.68Å; F62-W225 HydrophobicContact CD1-CZ2 3.68Å; F62-W225 HydrophobicContact CE1-CH2 4.23Å; F62-W225 AromaticContact CE1-CZ2 3.75Å; F62-W225 HydrophobicContact CE1-CZ2 3.75Å; F62-W225 HydrophobicContact CG-CZ2 4.1Å; F62-W225 HydrophobicContact CZ-CZ2 4.22Å; F62-M229 HydrophobicContact CB-CG 4.06Å; F62-M229 HydrophobicContact CB-SD 3.56Å; F62-M229 VanDerWaalsContact CB-SD 3.56Å; F62-M229 HydrophobicContact CD2-CG 3.62Å; F62-M229 HydrophobicContact CD2-SD 4.24Å; F62-M229 HydrophobicContact CE2-CG 4.36Å; F62-M229 HydrophobicContact CG-CG 4.04Å; F62-M229 HydrophobicContact CG-SD 4.21Å; F62-M286 HydrophobicContact CE2-CE 3.87Å; F62-M286 HydrophobicContact CE2-SD 4.17Å; F62-M286 HydrophobicContact CZ-CE 3.78Å; F62-M286 HydrophobicContact CZ-SD 3.72Å
63I98.4Very high98.4Very high4 Ų440.8 Ų40.82%0.02121%0.207CC..SBendtrans-110.3108.3179.7-54.8175.8000108.6F15 A59 I68 L73 F123 M229F15-I63 HydrophobicContact CD1-CB 4.44Å; F15-I63 HydrophobicContact CD1-CD1 4.17Å; F15-I63 HydrophobicContact CD1-CG1 3.84Å; F15-I63 HydrophobicContact CD1-CG2 3.94Å; F15-I63 HydrophobicContact CD2-CG1 3.95Å; F15-I63 HydrophobicContact CE1-CD1 3.57Å; F15-I63 HydrophobicContact CE1-CG1 3.74Å; F15-I63 HydrophobicContact CE1-CG2 4.28Å; F15-I63 HydrophobicContact CE2-CD1 4.09Å; F15-I63 HydrophobicContact CE2-CG1 3.86Å; F15-I63 HydrophobicContact CG-CG1 3.94Å; F15-I63 HydrophobicContact CG-CG2 4.46Å; F15-I63 HydrophobicContact CZ-CD1 3.53Å; F15-I63 HydrophobicContact CZ-CG1 3.76Å; A59-I63 HydrophobicContact CB-CD1 4.31Å; A59-I63 WeakPolarHBondContact O-CG1 3.4Å; A59-I63 PolarHBondContact O-N 2.94Å; I63-I68 HydrophobicContact CG2-CB 3.92Å; I63-I68 HydrophobicContact CG2-CD1 3.98Å; I63-I68 HydrophobicContact CG2-CG1 3.84Å; I63-L73 HydrophobicContact CD1-CD1 3.84Å; I63-F123 HydrophobicContact CD1-CD2 4.4Å; I63-F123 HydrophobicContact CD1-CE2 4.13Å; I63-F123 HydrophobicContact CD1-CZ 4.35Å; I63-M229 HydrophobicContact CD1-CE 3.98Å; I63-M229 HydrophobicContact CD1-SD 4.35Å; I63-M229 HydrophobicContact CG1-CE 4.44Å; I63-M229 HydrophobicContact CG1-SD 4.16Å
64P97.4Very high98.4Very high24 Ų2440.8 Ų40.816%0.15621%0.21CC..  trans-62.2143.1174.9-20.533000112.2M1 E66 L67 I68M1-P64 HydrophobicContact CB-CG 3.85Å; P64-E66 WeakPolarHBondContact CB-OE2 3.26Å; P64-E66 PolarHBondContact O-N 2.83Å; P64-L67 PolarHBondContact O-N 3.18Å; P64-I68 PolarHBondContact O-N 2.95Å
65E97.8Very high98.4Very high122 Ų12243.6 Ų43.657%0.5723%0.233SC*.THydrogen-bonded Turntrans-62.8-23.3-179.6-67-171.2-176.700112.7L67 I68E65-L67 PolarHBondContact O-N 3.33Å; E65-I68 WeakPolarHBondContact CA-O 3.03Å; E65-I68 CarbonylContact O-C 3.58Å
66E97.6Very high98.4Very high168 Ų16844.4 Ų44.479%0.78524%0.238SC*.THydrogen-bonded Turntrans-67.6-22.7174.7-54.782.5-178.400112.6P64P64-E66 WeakPolarHBondContact CB-OE2 3.26Å; P64-E66 PolarHBondContact O-N 2.83Å
67L98Very high98.4Very high27 Ų2744.3 Ų44.314%0.14124%0.237CC..THydrogen-bonded Turntrans-92.3-46.3176.3-68.2-179000112D14 F15 P64 E65 F127 R130D14-L67 HydrophobicContact CB-CD1 4.07Å; F15-L67 HydrophobicContact CB-CD1 3.76Å; P64-L67 PolarHBondContact O-N 3.18Å; E65-L67 PolarHBondContact O-N 3.33Å; L67-F127 HydrophobicContact CB-CZ 4.3Å; L67-R130 PolarHBondContact O-NH1 2.67Å
68I98.5Very high98.3Very high2 Ų244.5 Ų44.51%0.0125%0.246CC..SBendtrans-136107.8175.7-50.3-173000107.7F15 I63 P64 E65 D72 L73 L76 Y126 F127F15-I68 HydrophobicContact CE1-CD1 4.26Å; I63-I68 HydrophobicContact CG2-CB 3.92Å; I63-I68 HydrophobicContact CG2-CD1 3.98Å; I63-I68 HydrophobicContact CG2-CG1 3.84Å; P64-I68 PolarHBondContact O-N 2.95Å; E65-I68 WeakPolarHBondContact CA-O 3.03Å; E65-I68 CarbonylContact O-C 3.58Å; I68-D72 HydrophobicContact CG2-CB 3.96Å; I68-L73 HydrophobicContact CG2-CB 3.88Å; I68-L73 HydrophobicContact CG2-CD1 4.42Å; I68-L76 HydrophobicContact CD1-CD1 4.48Å; I68-L76 HydrophobicContact CG2-CD1 3.97Å; I68-Y126 HydrophobicContact CB-CE1 4.45Å; I68-Y126 HydrophobicContact CD1-CD1 4.21Å; I68-Y126 HydrophobicContact CD1-CE1 4.44Å; I68-Y126 HydrophobicContact CG1-CD1 4.12Å; I68-Y126 HydrophobicContact CG1-CE1 3.84Å; I68-Y126 HydrophobicContact CG2-CE1 4.39Å; I68-F127 HydrophobicContact CD1-CE2 3.86Å; I68-F127 HydrophobicContact CD1-CZ 3.9Å; I68-F127 HydrophobicContact CG1-CE1 4.41Å; I68-F127 HydrophobicContact CG1-CE2 4.15Å; I68-F127 HydrophobicContact CG1-CZ 3.64Å
69P98.5Very high98.3Very high55 Ų5549.5 Ų49.536%0.35727%0.269SS..  trans-53.3150.4175.5-27.735.7000112.3D71 D72 L73P69-D71 VanDerWaalsContact C-N 3.28Å; P69-D71 PolarHBondContact O-N 3.15Å; P69-D72 HydrophobicContact CB-CB 4.46Å; P69-D72 WeakPolarHBondContact CD-OD2 3.46Å; P69-D72 WeakPolarHBondContact O-CB 3.33Å; P69-D72 PolarHBondContact O-N 2.87Å; P69-L73 PolarHBondContact O-N 3.18Å
70R98.1Very high98.2Very high44 Ų4449.8 Ų49.817%0.16627%0.271CS..Hα-helixtrans-56.3-40.4-173.5-170.764.8177.772.7-5.4113.6E57 L73 E74E57-R70 VanDerWaalsContact CD-NH2 3.3Å; E57-R70 IonicContact OE1-NH2 3.09Å; E57-R70 PolarHBondContact OE1-NH2 3.47Å; E57-R70 VanDerWaalsContact OE1-NH2 3.13Å; E57-R70 IonicContact OE2-NH2 3.53Å; E57-R70 PolarHBondContact OE2-NH2 2.94Å; R70-L73 PolarHBondContact O-N 3.29Å; R70-E74 IonicContact NH1-OE2 3.89Å; R70-E74 WeakPolarHBondContact O-CB 3.42Å; R70-E74 PolarHBondContact O-N 3.21Å
71D98.5Very high98.2Very high129 Ų12948.3 Ų48.369%0.6926%0.258SS*.Hα-helixtrans-68.2-40.2178.9-66.4-16.6000111.5P69 E74 A75P69-D71 VanDerWaalsContact C-N 3.28Å; P69-D71 PolarHBondContact O-N 3.15Å; D71-E74 PolarHBondContact O-N 3.22Å; D71-A75 PolarHBondContact O-N 2.96Å
72D98.8Very high98Very high67 Ų6749.7 Ų49.736%0.35827%0.273SS..Hα-helixtrans-66.1-43.1175.3-69.3-19000110.6I68 P69 E74 A75 L76 Y126I68-D72 HydrophobicContact CG2-CB 3.96Å; P69-D72 HydrophobicContact CB-CB 4.46Å; P69-D72 WeakPolarHBondContact CD-OD2 3.46Å; P69-D72 WeakPolarHBondContact O-CB 3.33Å; P69-D72 PolarHBondContact O-N 2.87Å; D72-E74 VanDerWaalsContact C-N 3.31Å; D72-E74 PolarHBondContact O-N 2.85Å; D72-A75 PolarHBondContact O-N 2.99Å; D72-L76 WeakPolarHBondContact O-CB 3.37Å; D72-L76 WeakPolarHBondContact O-CD1 3.42Å; D72-L76 WeakPolarHBondContact O-CG 3.33Å; D72-L76 PolarHBondContact O-N 2.81Å; D72-Y126 HydrophobicContact CB-CE2 4.22Å
73L98.8Very high97.7Very high2 Ų252.8 Ų52.81%0.0131%0.305CS..Hα-helixtrans-62.2-40.5177.1-175.363.2000111.5L56 A59 A60 I63 I68 P69 R70 L76 V77 F123L56-L73 HydrophobicContact CD1-CB 4.17Å; L56-L73 HydrophobicContact CD1-CD2 3.94Å; L56-L73 HydrophobicContact CD1-CG 3.63Å; A59-L73 HydrophobicContact CB-CD2 4.29Å; A60-L73 HydrophobicContact CB-CD2 4.1Å; I63-L73 HydrophobicContact CD1-CD1 3.84Å; I68-L73 HydrophobicContact CG2-CB 3.88Å; I68-L73 HydrophobicContact CG2-CD1 4.42Å; P69-L73 PolarHBondContact O-N 3.18Å; R70-L73 PolarHBondContact O-N 3.29Å; L73-L76 PolarHBondContact O-N 2.92Å; L73-V77 HydrophobicContact CD1-CG2 4.44Å; L73-V77 WeakPolarHBondContact O-CG2 3.48Å; L73-V77 PolarHBondContact O-N 3.12Å; L73-F123 HydrophobicContact CD1-CD1 4.36Å; L73-F123 HydrophobicContact CD1-CE1 3.6Å; L73-F123 HydrophobicContact CD1-CZ 3.91Å
74E98.6Very high97.6Very high78 Ų7853.6 Ų53.636%0.36431%0.308SS..Hα-helixtrans-61.2-47.8175-176.8149.9-172.300111.6R53 L56 R70 D71 D72 L76 V77 A78R53-E74 IonicContact NH1-OE1 3.5Å; R53-E74 PolarHBondContact NH1-OE1 2.85Å; R53-E74 IonicContact NH1-OE2 3.03Å; R53-E74 PolarHBondContact NH1-OE2 2.97Å; L56-E74 HydrophobicContact CD1-CB 4.19Å; L56-E74 HydrophobicContact CD2-CB 3.76Å; L56-E74 HydrophobicContact CD2-CG 3.63Å; R70-E74 IonicContact NH1-OE2 3.89Å; R70-E74 WeakPolarHBondContact O-CB 3.42Å; R70-E74 PolarHBondContact O-N 3.21Å; D71-E74 PolarHBondContact O-N 3.22Å; D72-E74 VanDerWaalsContact C-N 3.31Å; D72-E74 PolarHBondContact O-N 2.85Å; E74-L76 PolarHBondContact O-N 2.95Å; E74-V77 PolarHBondContact O-N 3.45Å; E74-A78 WeakPolarHBondContact O-CB 3.45Å; E74-A78 PolarHBondContact O-N 3.47Å
75A98.6Very high97.5Very high59 Ų5956.8 Ų56.849%0.48833%0.331SS..Hα-helixtrans-61.2-44.3176.800000112.1D71 D72 A78 E79D71-A75 PolarHBondContact O-N 2.96Å; D72-A75 PolarHBondContact O-N 2.99Å; A75-A78 PolarHBondContact O-N 3.4Å; A75-E79 WeakPolarHBondContact O-CB 3.22Å; A75-E79 PolarHBondContact O-N 3.05Å
76L98.6Very high97.4Very high18 Ų1852.3 Ų52.39%0.09431%0.312CS..Hα-helixtrans-63-43.6179.6-70.5166.1000112.1I68 D72 L73 E74 A80 H122 F123 Y126I68-L76 HydrophobicContact CD1-CD1 4.48Å; I68-L76 HydrophobicContact CG2-CD1 3.97Å; D72-L76 WeakPolarHBondContact O-CB 3.37Å; D72-L76 WeakPolarHBondContact O-CD1 3.42Å; D72-L76 WeakPolarHBondContact O-CG 3.33Å; D72-L76 PolarHBondContact O-N 2.81Å; L73-L76 PolarHBondContact O-N 2.92Å; E74-L76 PolarHBondContact O-N 2.95Å; L76-A80 WeakPolarHBondContact O-CB 3.41Å; L76-A80 PolarHBondContact O-N 3.45Å; L76-H122 HydrophobicContact CD2-CB 4.11Å; L76-F123 HydrophobicContact CB-CD1 4.18Å; L76-F123 HydrophobicContact CB-CE1 4.08Å; L76-F123 HydrophobicContact CD1-CD1 4.14Å; L76-Y126 HydrophobicContact CD1-CD2 3.99Å; L76-Y126 HydrophobicContact CD1-CG 3.97Å
77V98.6Very high97Very high2 Ų250.1 Ų50.11%0.01231%0.312CS..Hα-helixtrans-67.3-43177.4171.10000111V55 L56 L73 E74 A80 L81 F123V55-V77 HydrophobicContact CB-CG1 4.05Å; V55-V77 HydrophobicContact CG1-CG1 3.75Å; V55-V77 HydrophobicContact CG1-CG2 4.22Å; L56-V77 HydrophobicContact CB-CG1 4.42Å; L56-V77 HydrophobicContact CD1-CG2 4.3Å; L73-V77 HydrophobicContact CD1-CG2 4.44Å; L73-V77 WeakPolarHBondContact O-CG2 3.48Å; L73-V77 PolarHBondContact O-N 3.12Å; E74-V77 PolarHBondContact O-N 3.45Å; V77-A80 PolarHBondContact O-N 2.96Å; V77-L81 HydrophobicContact CG1-CD1 3.98Å; V77-L81 WeakPolarHBondContact O-CB 3.45Å; V77-L81 WeakPolarHBondContact O-CG 3.5Å; V77-L81 PolarHBondContact O-N 2.85Å; V77-L81 VanDerWaalsContact O-N 3.16Å; V77-F123 HydrophobicContact CG2-CE1 4.21Å; V77-F123 HydrophobicContact CG2-CZ 4.13Å
78A97.7Very high96.6Very high43 Ų4351 Ų5136%0.35532%0.317SS..Hα-helixtrans-61.8-45.6177.900000111.6E74 A75 L81 S82E74-A78 WeakPolarHBondContact O-CB 3.45Å; E74-A78 PolarHBondContact O-N 3.47Å; A75-A78 PolarHBondContact O-N 3.4Å; A78-L81 PolarHBondContact O-N 3.31Å; A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 3.12Å; A78-S82 VanDerWaalsContact O-N 3.1Å
79E97.4Very high96.5Very high106 Ų10650.9 Ų50.950%0.49532%0.317SS..Hα-helixtrans-63.1-49177.6-165.5-172.9-177.600111.1A75 L81 S82 H122A75-E79 WeakPolarHBondContact O-CB 3.22Å; A75-E79 PolarHBondContact O-N 3.05Å; E79-L81 PolarHBondContact O-N 3.04Å; E79-L81 VanDerWaalsContact O-N 3.15Å; E79-S82 WeakPolarHBondContact O-CB 3.42Å; E79-S82 PolarHBondContact O-N 3.27Å; E79-S82 PolarHBondContact O-OG 2.97Å; E79-H122 VanDerWaalsContact CG-CE1 3.46Å; E79-H122 WeakPolarHBondContact CG-CE1 3.35Å; E79-H122 IonicContact OE1-CE1 3.14Å; E79-H122 IonicContact OE2-CE1 2.86Å; E79-H122 PolarHBondContact OE2-CE1 2.83Å; E79-H122 IonicContact OE2-ND1 3.64Å; E79-H122 PolarHBondContact OE2-ND1 3.04Å; E79-H122 VanDerWaalsContact OE2-ND1 3.14Å
80A97.6Very high96.4Very high6 Ų648.6 Ų48.65%0.0530%0.301CS..Hα-helixtrans-58.6-30.3-178.800000113.8L76 V77 S118 C119 H122L76-A80 WeakPolarHBondContact O-CB 3.41Å; L76-A80 PolarHBondContact O-N 3.45Å; V77-A80 PolarHBondContact O-N 2.96Å; A80-S118 VanDerWaalsContact O-CB 3.27Å; A80-S118 WeakPolarHBondContact O-CB 3.37Å; A80-C119 HydrophobicContact CB-CB 4.4Å; A80-H122 HydrophobicContact CB-CB 4.23Å
81L97.2Very high96.4Very high2 Ų253.4 Ų53.41%0.0132%0.32CS..Hα-helixtrans-105.82-175-63.4-178.1000113.6Y51 Q52 V55 V77 A78 E79 F84 S89 L115Y51-L81 HydrophobicContact CD1-CD1 4.24Å; Y51-L81 HydrophobicContact CE1-CD1 3.99Å; Q52-L81 HydrophobicContact CB-CD1 4.33Å; Q52-L81 HydrophobicContact CG-CB 3.96Å; Q52-L81 HydrophobicContact CG-CD1 3.85Å; V55-L81 HydrophobicContact CB-CD1 4.34Å; V55-L81 HydrophobicContact CG1-CD1 4.38Å; V55-L81 HydrophobicContact CG2-CD1 4.1Å; V77-L81 HydrophobicContact CG1-CD1 3.98Å; V77-L81 WeakPolarHBondContact O-CB 3.45Å; V77-L81 WeakPolarHBondContact O-CG 3.5Å; V77-L81 PolarHBondContact O-N 2.85Å; V77-L81 VanDerWaalsContact O-N 3.16Å; A78-L81 PolarHBondContact O-N 3.31Å; E79-L81 PolarHBondContact O-N 3.04Å; E79-L81 VanDerWaalsContact O-N 3.15Å; L81-F84 HydrophobicContact CD2-CD2 4.38Å; L81-F84 HydrophobicContact CD2-CE2 3.74Å; L81-F84 HydrophobicContact CD2-CZ 4.08Å; L81-F84 WeakPolarHBondContact O-CD2 3.38Å; L81-S89 WeakPolarHBondContact CB-OG 3.22Å; L81-S89 PolarHBondContact O-OG 3.31Å; L81-L115 HydrophobicContact CD2-CD2 4.06Å
82S95.3Very high96.4Very high86 Ų8648.4 Ų48.460%0.60129%0.293SS*.THydrogen-bonded Turntrans-71.1-30.3-17865.50000114.3A78 E79 F84A78-S82 WeakPolarHBondContact O-CB 3.43Å; A78-S82 PolarHBondContact O-N 3.12Å; A78-S82 VanDerWaalsContact O-N 3.1Å; E79-S82 WeakPolarHBondContact O-CB 3.42Å; E79-S82 PolarHBondContact O-N 3.27Å; E79-S82 PolarHBondContact O-OG 2.97Å; S82-F84 VanDerWaalsContact C-N 3.26Å; S82-F84 PolarHBondContact O-N 3.13Å
83G92.1Very high96.4Very high64 Ų6445.6 Ų45.666%0.6628%0.279SS*.THydrogen-bonded Turntrans-82.49.7-175.100000115.6
84F96.6Very high96.3Very high21 Ų2153 Ų539%0.09231%0.307CS..SBendtrans-84.3145.1-178.6-74-111.6000110.9L81 S82 V86 S89 H106 G107 D114 L115L81-F84 HydrophobicContact CD2-CD2 4.38Å; L81-F84 HydrophobicContact CD2-CE2 3.74Å; L81-F84 HydrophobicContact CD2-CZ 4.08Å; L81-F84 WeakPolarHBondContact O-CD2 3.38Å; S82-F84 VanDerWaalsContact C-N 3.26Å; S82-F84 PolarHBondContact O-N 3.13Å; F84-V86 PolarHBondContact O-N 2.94Å; F84-V86 VanDerWaalsContact O-N 3.12Å; F84-S89 WeakPolarHBondContact CD1-O 3.36Å; F84-H106 CarbonylContact C-O 3.58Å; F84-H106 VanDerWaalsContact CA-O 3.31Å; F84-H106 WeakPolarHBondContact CA-O 3.3Å; F84-H106 VanDerWaalsContact CD1-C 3.41Å; F84-H106 HydrophobicContact CD1-CB 4.29Å; F84-G107 VanDerWaalsContact CD1-N 3.26Å; F84-G107 VanDerWaalsContact CE1-CA 3.5Å; F84-D114 HydrophobicContact CE1-CB 4.12Å; F84-D114 HydrophobicContact CZ-CB 3.88Å; F84-L115 HydrophobicContact CD1-CD2 4Å; F84-L115 HydrophobicContact CE1-CD2 3.3Å; F84-L115 HydrophobicContact CE1-CG 3.83Å; F84-L115 HydrophobicContact CE2-CD2 4.5Å; F84-L115 HydrophobicContact CZ-CD2 3.62Å; F84-L115 HydrophobicContact CZ-CG 4.11Å
85S95.5Very high96.2Very high92 Ų9251 Ų5164%0.64330%0.298SS*.SBendtrans-73-3.5-173.762.60000114.7H106S85-H106 PolarHBondContact N-O 3.23Å; S85-H106 PolarHBondContact OG-O 3.39Å
86V95.9Very high96Very high27 Ų2754 Ų5416%0.16430%0.301CS..SBendtrans-126.9146.8176.9-58.70000110.6F84 D88 S89 H106F84-V86 PolarHBondContact O-N 2.94Å; F84-V86 VanDerWaalsContact O-N 3.12Å; V86-D88 VanDerWaalsContact C-N 3.33Å; V86-D88 PolarHBondContact O-N 3.26Å; V86-S89 VanDerWaalsContact CG2-C 3.47Å; V86-S89 PolarHBondContact O-N 2.93Å; V86-H106 HydrophobicContact CG1-CB 4.25Å; V86-H106 HydrophobicContact CG2-CB 3.69Å
87P87.9Confident95.5Very high122 Ų12259.2 Ų59.279%0.79233%0.328SS*.THydrogen-bonded Turntrans-56.5-36.7-169.7-29.235.9000116.2
88D89.4Confident95.1Very high45 Ų4561.5 Ų61.524%0.24135%0.352CS..THydrogen-bonded Turntrans-98.315179.3-69.6-43.6000112.6R50 Y51 V86 V90R50-D88 WeakPolarHBondContact CB-OD1 3.25Å; R50-D88 VanDerWaalsContact CD-OD1 3.25Å; R50-D88 WeakPolarHBondContact CD-OD1 3.17Å; R50-D88 WeakPolarHBondContact CG-OD1 3.31Å; R50-D88 IonicContact NE-OD1 3.12Å; Y51-D88 WeakPolarHBondContact CB-O 3.15Å; Y51-D88 WeakPolarHBondContact CD1-O 3.3Å; V86-D88 VanDerWaalsContact C-N 3.33Å; V86-D88 PolarHBondContact O-N 3.26Å; D88-V90 PolarHBondContact O-N 2.87Å
89S96.4Very high95Very high1 Ų159.4 Ų59.41%0.00734%0.335CS..SBendtrans63-18.2-175.7-41.80000115.7L81 F84 V86L81-S89 WeakPolarHBondContact CB-OG 3.22Å; L81-S89 PolarHBondContact O-OG 3.31Å; F84-S89 WeakPolarHBondContact CD1-O 3.36Å; V86-S89 VanDerWaalsContact CG2-C 3.47Å; V86-S89 PolarHBondContact O-N 2.93Å
90V97.9Very high95Very high6 Ų655.1 Ų55.14%0.03632%0.317CS..  trans-130.4160.1176.1-57.50000110Y51 D88 E103 L104 L115 Y237Y51-V90 HydrophobicContact CD1-CG1 4.01Å; Y51-V90 HydrophobicContact CD1-CG2 4.25Å; Y51-V90 HydrophobicContact CD2-CG1 4.08Å; Y51-V90 HydrophobicContact CD2-CG2 3.7Å; Y51-V90 HydrophobicContact CE1-CG1 3.94Å; Y51-V90 HydrophobicContact CE2-CG1 4Å; Y51-V90 HydrophobicContact CE2-CG2 4.4Å; Y51-V90 HydrophobicContact CG-CG1 4.09Å; Y51-V90 HydrophobicContact CG-CG2 3.61Å; D88-V90 PolarHBondContact O-N 2.87Å; V90-E103 WeakPolarHBondContact CA-O 3.38Å; V90-L104 HydrophobicContact CB-CD2 4.18Å; V90-L104 HydrophobicContact CG1-CD2 3.58Å; V90-L115 HydrophobicContact CG1-CD1 3.9Å; V90-L115 HydrophobicContact CG1-CD2 4.02Å; V90-Y237 HydrophobicContact CG2-CD1 3.85Å; V90-Y237 HydrophobicContact CG2-CE1 3.39Å
91R97.6Very high95.1Very high145 Ų14554.9 Ų54.955%0.54731%0.314SS..EExtended strand (participates in β ladder)trans-136.8150.7175.6176.5177.5176.3-174.10.1110.4E103R91-E103 HydrophobicContact CB-CB 4.19Å; R91-E103 WeakPolarHBondContact CD-OE2 3.14Å; R91-E103 PolarHBondContact N-O 2.55Å; R91-E103 VanDerWaalsContact N-O 3.1Å; R91-E103 WeakPolarHBondContact O-CA 3.43Å; R91-E103 WeakPolarHBondContact O-CB 3.37Å; R91-E103 PolarHBondContact O-N 3.18Å
92I98.1Very high95.2Very high24 Ų2454.8 Ų54.812%0.12331%0.314CS..EExtended strand (participates in β ladder)trans-112117.4170.6-65.3171.8000108.6R94 V101 L102 Y237 E241 L242I92-R94 HydrophobicContact CG2-CG 4.19Å; I92-V101 CarbonylContact C-O 3.58Å; I92-V101 WeakPolarHBondContact CA-O 3.37Å; I92-L102 HydrophobicContact CD1-CD1 4.41Å; I92-L102 HydrophobicContact CG1-CD1 3.79Å; I92-Y237 HydrophobicContact CD1-CE1 4.07Å; I92-Y237 HydrophobicContact CG1-CE1 4.47Å; I92-E241 HydrophobicContact CD1-CB 3.43Å; I92-E241 VanDerWaalsContact CD1-CB 3.43Å; I92-E241 HydrophobicContact CD1-CG 3.85Å; I92-L242 HydrophobicContact CD1-CD1 4.23Å; I92-L242 HydrophobicContact CD1-CD2 4.37Å; I92-L242 HydrophobicContact CD1-CG 4.09Å; I92-L242 HydrophobicContact CG2-CD1 4.33Å; I92-L242 HydrophobicContact CG2-CD2 3.88Å; I92-L242 HydrophobicContact CG2-CG 4.48Å
93A98.2Very high95.3Very high9 Ų951.1 Ų51.17%0.07429%0.287CS..EExtended strand (participates in β ladder)trans-92.7116.3170.600000109.6L95 S100 V101 Y398A93-L95 HydrophobicContact CB-CD2 4.24Å; A93-S100 WeakPolarHBondContact O-CA 3.35Å; A93-V101 HydrophobicContact CB-CB 4.36Å; A93-V101 PolarHBondContact N-O 3.47Å; A93-V101 PolarHBondContact O-N 2.83Å; A93-Y398 HydrophobicContact CB-CD2 4.2Å; A93-Y398 HydrophobicContact CB-CE2 3.64Å
94R97.4Very high95.7Very high158 Ų15848 Ų4860%0.59626%0.256SS*.EExtended strand (participates in β ladder)trans-95.1113.6174.2-66.4-178.3174.889.4-1.9108.7I92 E241I92-R94 HydrophobicContact CG2-CG 4.19Å; R94-E241 PolarHBondContact NH2-O 3.14Å
95L96.7Very high95.7Very high34 Ų3447.9 Ų47.918%0.17826%0.255CS..  trans-109179.3-175.3-51.8-174.8000110.3A93 L99 V101 N396 Y398A93-L95 HydrophobicContact CB-CD2 4.24Å; L95-L99 WeakPolarHBondContact CA-O 3.49Å; L95-L99 HydrophobicContact CB-CB 4.04Å; L95-L99 HydrophobicContact CB-CD2 4.23Å; L95-L99 HydrophobicContact CB-CG 4.09Å; L95-L99 VanDerWaalsContact CB-O 3.31Å; L95-L99 WeakPolarHBondContact CB-O 3.25Å; L95-L99 HydrophobicContact CD1-CD2 3.77Å; L95-L99 HydrophobicContact CD1-CG 4.04Å; L95-L99 HydrophobicContact CG-CG 4.43Å; L95-L99 PolarHBondContact N-O 3.24Å; L95-V101 HydrophobicContact CD1-CG2 4.04Å; L95-N396 HydrophobicContact CB-CB 4.28Å; L95-N396 WeakPolarHBondContact CB-OD1 3.43Å; L95-N396 HydrophobicContact CD1-CB 4.16Å; L95-N396 HydrophobicContact CD2-CB 4.25Å; L95-N396 HydrophobicContact CG-CB 4.46Å; L95-Y398 HydrophobicContact CD1-CD1 3.88Å; L95-Y398 HydrophobicContact CD1-CD2 4.33Å; L95-Y398 HydrophobicContact CD1-CG 3.73Å; L95-Y398 HydrophobicContact CD2-CD2 4Å; L95-Y398 HydrophobicContact CD2-CG 4.07Å
96K93.3Very high95.8Very high124 Ų12444.5 Ų44.554%0.53923%0.229SC..G310 helixtrans-60.4158.8179.7-66.6178.1-179.3168.90111.8G98 L99 Q395 N396K96-G98 PolarHBondContact O-N 2.83Å; K96-G98 VanDerWaalsContact O-N 3.12Å; K96-L99 WeakPolarHBondContact O-CB 3.46Å; K96-L99 PolarHBondContact O-N 3.26Å; K96-L99 VanDerWaalsContact O-N 3.15Å; K96-Q395 WeakPolarHBondContact CD-O 3.26Å; K96-Q395 VanDerWaalsContact CE-O 3.23Å; K96-Q395 WeakPolarHBondContact CE-O 3.43Å; K96-Q395 PolarHBondContact NZ-O 2.84Å; K96-N396 VanDerWaalsContact CB-OD1 3.27Å; K96-N396 WeakPolarHBondContact CB-OD1 3.28Å; K96-N396 WeakPolarHBondContact CG-OD1 3.22Å; K96-N396 PolarHBondContact N-OD1 2.97Å
97D89.9Confident95.9Very high127 Ų12743.4 Ų43.468%0.67922%0.223SC*.G310 helixtrans56.628.9174.3-52.9-36.5000114.7L99 H411D97-L99 VanDerWaalsContact C-N 3.31Å; D97-L99 PolarHBondContact O-N 3.29Å; D97-H411 PolarHBondContact O-CE1 3.13Å
98G89.7Confident96.2Very high49 Ų4942 Ų4251%0.50521%0.206SC..G310 helixtrans75.515.3177.600000114.4K96 S100K96-G98 PolarHBondContact O-N 2.83Å; K96-G98 VanDerWaalsContact O-N 3.12Å; G98-S100 PolarHBondContact O-N 3.09Å
99L95.4Very high96.6Very high0 Ų039.9 Ų39.90%020%0.195CC..  trans-73104.3173.7173.557.7000110.3L95 K96 D97 V101 V408 H411 Y424L95-L99 WeakPolarHBondContact CA-O 3.49Å; L95-L99 HydrophobicContact CB-CB 4.04Å; L95-L99 HydrophobicContact CB-CD2 4.23Å; L95-L99 HydrophobicContact CB-CG 4.09Å; L95-L99 VanDerWaalsContact CB-O 3.31Å; L95-L99 WeakPolarHBondContact CB-O 3.25Å; L95-L99 HydrophobicContact CD1-CD2 3.77Å; L95-L99 HydrophobicContact CD1-CG 4.04Å; L95-L99 HydrophobicContact CG-CG 4.43Å; L95-L99 PolarHBondContact N-O 3.24Å; K96-L99 WeakPolarHBondContact O-CB 3.46Å; K96-L99 PolarHBondContact O-N 3.26Å; K96-L99 VanDerWaalsContact O-N 3.15Å; D97-L99 VanDerWaalsContact C-N 3.31Å; D97-L99 PolarHBondContact O-N 3.29Å; L99-V101 HydrophobicContact CD1-CG2 4.08Å; L99-V101 HydrophobicContact CG-CG2 4.16Å; L99-V408 HydrophobicContact CD1-CG1 4.2Å; L99-V408 HydrophobicContact CD1-CG2 4.26Å; L99-V408 HydrophobicContact CD2-CG1 3.95Å; L99-H411 HydrophobicContact CD1-CB 4.18Å; L99-Y424 HydrophobicContact CD1-CD1 4.46Å; L99-Y424 HydrophobicContact CD1-CD2 3.33Å; L99-Y424 HydrophobicContact CD1-CE2 3.62Å; L99-Y424 HydrophobicContact CD1-CG 3.81Å
100S98.1Very high96.7Very high16 Ų1641.2 Ų41.211%0.11220%0.202CC..EExtended strand (participates in β ladder)trans-105.4121.5172.7-57.80000110.7A93 G98 R422 Y424A93-S100 WeakPolarHBondContact O-CA 3.35Å; G98-S100 PolarHBondContact O-N 3.09Å; S100-R422 WeakPolarHBondContact CB-O 3.41Å; S100-Y424 PolarHBondContact O-N 3.15Å
101V98.7Very high96.7Very high0 Ų041 Ų410%020%0.2CC..EExtended strand (participates in β ladder)trans-107.6122.6-178.3-178.90000109.4I92 A93 L95 L99 Y398 T404 Y424 A426I92-V101 CarbonylContact C-O 3.58Å; I92-V101 WeakPolarHBondContact CA-O 3.37Å; A93-V101 HydrophobicContact CB-CB 4.36Å; A93-V101 PolarHBondContact N-O 3.47Å; A93-V101 PolarHBondContact O-N 2.83Å; L95-V101 HydrophobicContact CD1-CG2 4.04Å; L99-V101 HydrophobicContact CD1-CG2 4.08Å; L99-V101 HydrophobicContact CG-CG2 4.16Å; V101-Y398 HydrophobicContact CG1-CE1 4.32Å; V101-T404 HydrophobicContact CG1-CG2 4.22Å; V101-Y424 CarbonylContact C-O 3.52Å; V101-Y424 WeakPolarHBondContact CA-O 3.48Å; V101-A426 HydrophobicContact CG1-CB 3.52Å
102L98.8Very high96.7Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-90.4102.8174.2177.367.9000109.4I92 L104 Y237 A238 Y424 A426I92-L102 HydrophobicContact CD1-CD1 4.41Å; I92-L102 HydrophobicContact CG1-CD1 3.79Å; L102-L104 HydrophobicContact CD1-CD2 4.1Å; L102-L104 HydrophobicContact CD2-CD1 4.42Å; L102-L104 HydrophobicContact CD2-CD2 3.81Å; L102-L104 HydrophobicContact CD2-CG 4.26Å; L102-L104 HydrophobicContact CG-CD2 3.64Å; L102-L104 HydrophobicContact CG-CG 4.06Å; L102-L104 PolarHBondContact O-N 3.24Å; L102-Y237 HydrophobicContact CD1-CD1 4.2Å; L102-Y237 HydrophobicContact CD1-CE1 4.31Å; L102-A238 HydrophobicContact CD2-CB 3.99Å; L102-Y424 PolarHBondContact N-O 2.84Å; L102-A426 WeakPolarHBondContact O-CB 3.3Å; L102-A426 PolarHBondContact O-N 3.48Å
103E98.8Very high96.7Very high9 Ų934.9 Ų34.94%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-78.8111.3177.3-58.2176.6-170.500110.5V90 R91 F105 H106 Y398V90-E103 WeakPolarHBondContact CA-O 3.38Å; R91-E103 HydrophobicContact CB-CB 4.19Å; R91-E103 WeakPolarHBondContact CD-OE2 3.14Å; R91-E103 PolarHBondContact N-O 2.55Å; R91-E103 VanDerWaalsContact N-O 3.1Å; R91-E103 WeakPolarHBondContact O-CA 3.43Å; R91-E103 WeakPolarHBondContact O-CB 3.37Å; R91-E103 PolarHBondContact O-N 3.18Å; E103-F105 HydrophobicContact CB-CD1 4.32Å; E103-F105 HydrophobicContact CB-CE1 3.73Å; E103-F105 HydrophobicContact CB-CE2 4.32Å; E103-F105 HydrophobicContact CB-CZ 3.73Å; E103-F105 HydrophobicContact CG-CE1 3.81Å; E103-F105 HydrophobicContact CG-CE2 4.49Å; E103-F105 HydrophobicContact CG-CZ 3.6Å; E103-H106 WeakPolarHBondContact CB-NE2 3.46Å; E103-H106 IonicContact OE2-CE1 3.74Å; E103-H106 PolarHBondContact OE2-CE1 2.87Å; E103-H106 IonicContact OE2-NE2 2.72Å; E103-H106 PolarHBondContact OE2-NE2 3.17Å; E103-Y398 VanDerWaalsContact CG-OH 3.31Å; E103-Y398 WeakPolarHBondContact CG-OH 3.24Å; E103-Y398 VanDerWaalsContact OE1-CE2 3.3Å; E103-Y398 WeakPolarHBondContact OE1-CE2 3.42Å; E103-Y398 PolarHBondContact OE1-OH 3.1Å
104L98.7Very high96.7Very high0 Ų034.6 Ų34.60%017%0.174CC..  trans-105.78.1179.8-60.1-176.9000113.1V90 L102 F112 L115 H234 V425 A426V90-L104 HydrophobicContact CB-CD2 4.18Å; V90-L104 HydrophobicContact CG1-CD2 3.58Å; L102-L104 HydrophobicContact CD1-CD2 4.1Å; L102-L104 HydrophobicContact CD2-CD1 4.42Å; L102-L104 HydrophobicContact CD2-CD2 3.81Å; L102-L104 HydrophobicContact CD2-CG 4.26Å; L102-L104 HydrophobicContact CG-CD2 3.64Å; L102-L104 HydrophobicContact CG-CG 4.06Å; L102-L104 PolarHBondContact O-N 3.24Å; L104-F112 HydrophobicContact CB-CB 3.45Å; L104-F112 VanDerWaalsContact CB-CB 3.45Å; L104-F112 HydrophobicContact CD1-CB 3.96Å; L104-F112 HydrophobicContact CD1-CD2 4.49Å; L104-F112 HydrophobicContact CG-CB 4.36Å; L104-F112 VanDerWaalsContact O-CA 3.22Å; L104-F112 WeakPolarHBondContact O-CA 3.36Å; L104-L115 HydrophobicContact CB-CD1 3.78Å; L104-L115 HydrophobicContact CD2-CD1 3.84Å; L104-L115 HydrophobicContact CG-CD1 4.28Å; L104-H234 HydrophobicContact CD2-CB 4.14Å; L104-V425 HydrophobicContact CD1-CG1 3.6Å; L104-V425 HydrophobicContact CG-CG1 4.4Å; L104-A426 PolarHBondContact N-O 3.24Å; L104-A426 VanDerWaalsContact N-O 3.16Å
105F98.1Very high96.7Very high18 Ų1827.2 Ų27.28%0.07915%0.146CC..  trans-107.626.9-163.353.3-109000114.1E103 G107 L110 A426 A428E103-F105 HydrophobicContact CB-CD1 4.32Å; E103-F105 HydrophobicContact CB-CE1 3.73Å; E103-F105 HydrophobicContact CB-CE2 4.32Å; E103-F105 HydrophobicContact CB-CZ 3.73Å; E103-F105 HydrophobicContact CG-CE1 3.81Å; E103-F105 HydrophobicContact CG-CE2 4.49Å; E103-F105 HydrophobicContact CG-CZ 3.6Å; F105-G107 VanDerWaalsContact C-N 3.32Å; F105-G107 PolarHBondContact O-N 2.76Å; F105-L110 WeakPolarHBondContact CB-O 3.29Å; F105-L110 CarbonylContact O-C 3.52Å; F105-L110 VanDerWaalsContact O-CA 3.23Å; F105-L110 WeakPolarHBondContact O-CA 3.34Å; F105-A426 HydrophobicContact CD1-CB 4.05Å; F105-A426 HydrophobicContact CE1-CB 3.63Å; F105-A428 VanDerWaalsContact CD1-C 3.4Å; F105-A428 WeakPolarHBondContact CD1-O 3.35Å; F105-A428 VanDerWaalsContact CG-C 3.48Å
106H97.9Very high96.8Very high21 Ų2125.7 Ų25.710%0.09714%0.138CC..  trans-91.410.7-175.4-64.7-65.7000114.1F84 S85 V86 E103F84-H106 CarbonylContact C-O 3.58Å; F84-H106 VanDerWaalsContact CA-O 3.31Å; F84-H106 WeakPolarHBondContact CA-O 3.3Å; F84-H106 VanDerWaalsContact CD1-C 3.41Å; F84-H106 HydrophobicContact CD1-CB 4.29Å; S85-H106 PolarHBondContact N-O 3.23Å; S85-H106 PolarHBondContact OG-O 3.39Å; V86-H106 HydrophobicContact CG1-CB 4.25Å; V86-H106 HydrophobicContact CG2-CB 3.69Å; E103-H106 WeakPolarHBondContact CB-NE2 3.46Å; E103-H106 IonicContact OE2-CE1 3.74Å; E103-H106 PolarHBondContact OE2-CE1 2.87Å; E103-H106 IonicContact OE2-NE2 2.72Å; E103-H106 PolarHBondContact OE2-NE2 3.17Å
107G97.1Very high97Very high4 Ų419.8 Ų19.84%0.04111%0.113CC..SBendtrans-83.1174.9173.300000112.8F84 F105 T109 L110 D114F84-G107 VanDerWaalsContact CD1-N 3.26Å; F84-G107 VanDerWaalsContact CE1-CA 3.5Å; F105-G107 VanDerWaalsContact C-N 3.32Å; F105-G107 PolarHBondContact O-N 2.76Å; G107-T109 PolarHBondContact O-N 3.13Å; G107-T109 VanDerWaalsContact O-N 3.13Å; G107-L110 PolarHBondContact O-N 3.36Å; G107-D114 VanDerWaalsContact C-OD2 3.32Å; G107-D114 WeakPolarHBondContact CA-OD2 3.22Å
108E95.1Very high97.4Very high93 Ų9314.7 Ų14.744%0.4359%0.087SC..THydrogen-bonded Turntrans-55-33.5-176.3-174.8176.5173.600113.3R151 R154E108-R151 HydrophobicContact CG-CG 4.47Å; E108-R151 WeakPolarHBondContact OE1-CD 3.2Å; E108-R151 IonicContact OE1-NE 3.82Å; E108-R151 IonicContact OE1-NH1 3.01Å; E108-R151 PolarHBondContact OE1-NH1 3.03Å; E108-R154 VanDerWaalsContact CD-NH2 3.34Å; E108-R154 IonicContact OE1-CZ 2.8Å; E108-R154 IonicContact OE1-NH1 3.14Å; E108-R154 PolarHBondContact OE1-NH1 2.99Å; E108-R154 IonicContact OE1-NH2 3.96Å; E108-R154 PolarHBondContact OE1-NH2 2.89Å; E108-R154 VanDerWaalsContact OE1-NH2 3.14Å; E108-R154 IonicContact OE2-CZ 3.74Å; E108-R154 IonicContact OE2-NH1 2.75Å; E108-R154 IonicContact OE2-NH2 2.8Å; E108-R154 PolarHBondContact OE2-NH2 3.48Å
109T97.1Very high97.8Very high0 Ų012.3 Ų12.30%06%0.063CC..THydrogen-bonded Turntrans-97.75.4-177.386.40000113.4G107 A111 D114 S148 R151 H177 K432G107-T109 PolarHBondContact O-N 3.13Å; G107-T109 VanDerWaalsContact O-N 3.13Å; T109-A111 VanDerWaalsContact C-N 3.3Å; T109-A111 PolarHBondContact O-N 3.44Å; T109-D114 WeakPolarHBondContact CB-OD1 3.46Å; T109-D114 WeakPolarHBondContact CG2-OD1 3.3Å; T109-D114 PolarHBondContact N-OD2 3.39Å; T109-D114 PolarHBondContact OG1-OD1 3.24Å; T109-D114 PolarHBondContact OG1-OD2 3.01Å; T109-D114 VanDerWaalsContact OG1-OD2 3.06Å; T109-S148 PolarHBondContact OG1-OG 3.48Å; T109-R151 HydrophobicContact CG2-CB 3.91Å; T109-R151 HydrophobicContact CG2-CG 3.57Å; T109-H177 PolarHBondContact O-CE1 3.42Å; T109-H177 VanDerWaalsContact O-CE1 3.23Å; T109-K432 WeakPolarHBondContact O-CD 3.35Å; T109-K432 WeakPolarHBondContact O-CE 3.49Å; T109-K432 PolarHBondContact O-NZ 2.9Å
110L97.9Very high97.9Very high29 Ų2912.3 Ų12.315%0.1526%0.063CC..SBendtrans59.136.9175.6-52175.4000113.5F105 G107 D114 A428 S429 A431 K432 V450F105-L110 WeakPolarHBondContact CB-O 3.29Å; F105-L110 CarbonylContact O-C 3.52Å; F105-L110 VanDerWaalsContact O-CA 3.23Å; F105-L110 WeakPolarHBondContact O-CA 3.34Å; G107-L110 PolarHBondContact O-N 3.36Å; L110-D114 PolarHBondContact N-OD2 2.95Å; L110-A428 WeakPolarHBondContact O-CA 3.23Å; L110-S429 PolarHBondContact O-N 3.46Å; L110-A431 HydrophobicContact CD1-CB 4.01Å; L110-K432 HydrophobicContact CB-CD 3.98Å; L110-K432 HydrophobicContact CB-CG 4.06Å; L110-K432 VanDerWaalsContact O-CD 3.32Å; L110-K432 WeakPolarHBondContact O-CD 3.36Å; L110-V450 HydrophobicContact CD1-CG2 3.43Å; L110-V450 VanDerWaalsContact CD1-CG2 3.43Å
111A97.9Very high97.9Very high0 Ų011.6 Ų11.60%06%0.058CC..BIsolated β-bridgetrans-143.4151.7178.300000112.8T109 K113 D114 D144 T427 A428T109-A111 VanDerWaalsContact C-N 3.3Å; T109-A111 PolarHBondContact O-N 3.44Å; A111-K113 PolarHBondContact O-N 3.22Å; A111-D114 WeakPolarHBondContact O-CB 3.38Å; A111-D114 VanDerWaalsContact O-CG 3.31Å; A111-D114 PolarHBondContact O-N 3.03Å; A111-D144 HydrophobicContact CB-CB 3.8Å; A111-T427 CarbonylContact C-O 3.58Å; A111-T427 WeakPolarHBondContact CA-O 3.41Å; A111-A428 HydrophobicContact CB-CB 4.49Å
112F98Very high97.9Very high20 Ų2013.4 Ų13.49%0.0887%0.066CC..THydrogen-bonded Turntrans-58.7-18.9-179.689.2-73000114.6L104 D114 L115 Q231 N276 T427L104-F112 HydrophobicContact CB-CB 3.45Å; L104-F112 VanDerWaalsContact CB-CB 3.45Å; L104-F112 HydrophobicContact CD1-CB 3.96Å; L104-F112 HydrophobicContact CD1-CD2 4.49Å; L104-F112 HydrophobicContact CG-CB 4.36Å; L104-F112 VanDerWaalsContact O-CA 3.22Å; L104-F112 WeakPolarHBondContact O-CA 3.36Å; F112-D114 PolarHBondContact O-N 2.94Å; F112-L115 PolarHBondContact O-N 2.87Å; F112-Q231 HydrophobicContact CE2-CG 4.47Å; F112-N276 HydrophobicContact CE2-CB 4.08Å; F112-N276 HydrophobicContact CZ-CB 4.32Å; F112-T427 HydrophobicContact CD1-CG2 3.86Å; F112-T427 WeakPolarHBondContact CD1-O 3.48Å; F112-T427 HydrophobicContact CE1-CG2 4.15Å; F112-T427 HydrophobicContact CG-CG2 4.17Å; F112-T427 PolarHBondContact N-O 3.47Å
113K97.6Very high97.9Very high21 Ų2113.4 Ų13.49%0.0917%0.066CC..Hα-helixtrans-66.5-24.4179.3-64-170.9-172.465.60111.4A111 L115 M117 D144 T145 S148A111-K113 PolarHBondContact O-N 3.22Å; K113-L115 PolarHBondContact O-N 3.41Å; K113-M117 WeakPolarHBondContact O-CB 3.35Å; K113-M117 PolarHBondContact O-N 2.85Å; K113-D144 HydrophobicContact CD-CB 3.81Å; K113-D144 HydrophobicContact CG-CB 4.43Å; K113-D144 IonicContact NZ-OD2 2.81Å; K113-D144 PolarHBondContact NZ-OD2 3.38Å; K113-T145 VanDerWaalsContact CD-CA 3.48Å; K113-T145 HydrophobicContact CD-CG2 4.42Å; K113-T145 WeakPolarHBondContact CD-OG1 3.46Å; K113-T145 WeakPolarHBondContact CE-OG1 3.4Å; K113-S148 WeakPolarHBondContact CB-OG 3.47Å
114D98.3Very high97.8Very high4 Ų413 Ų132%0.0216%0.064CC..Hα-helixtrans-57.9-48.1177.3-65.5-21.1000111.2F84 G107 T109 L110 A111 F112 A116 M117 S118 S148F84-D114 HydrophobicContact CE1-CB 4.12Å; F84-D114 HydrophobicContact CZ-CB 3.88Å; G107-D114 VanDerWaalsContact C-OD2 3.32Å; G107-D114 WeakPolarHBondContact CA-OD2 3.22Å; T109-D114 WeakPolarHBondContact CB-OD1 3.46Å; T109-D114 WeakPolarHBondContact CG2-OD1 3.3Å; T109-D114 PolarHBondContact N-OD2 3.39Å; T109-D114 PolarHBondContact OG1-OD1 3.24Å; T109-D114 PolarHBondContact OG1-OD2 3.01Å; T109-D114 VanDerWaalsContact OG1-OD2 3.06Å; L110-D114 PolarHBondContact N-OD2 2.95Å; A111-D114 WeakPolarHBondContact O-CB 3.38Å; A111-D114 VanDerWaalsContact O-CG 3.31Å; A111-D114 PolarHBondContact O-N 3.03Å; F112-D114 PolarHBondContact O-N 2.94Å; D114-A116 PolarHBondContact O-N 3.42Å; D114-M117 PolarHBondContact O-N 2.78Å; D114-M117 VanDerWaalsContact O-N 3.11Å; D114-S118 WeakPolarHBondContact O-CB 3.19Å; D114-S118 PolarHBondContact O-N 2.77Å; D114-S118 PolarHBondContact O-OG 3.26Å; D114-S118 VanDerWaalsContact O-OG 3.06Å; D114-S148 PolarHBondContact N-OG 3.05Å; D114-S148 VanDerWaalsContact OD1-CB 3.25Å; D114-S148 WeakPolarHBondContact OD1-CB 3.33Å; D114-S148 PolarHBondContact OD1-OG 3.29Å
115L98.2Very high97.8Very high3 Ų313.6 Ų13.62%0.0167%0.067CC..Hα-helixtrans-51.6-53.5-177.5-63.7165.1000112.3Y51 L81 F84 V90 L104 F112 K113 C119Y51-L115 HydrophobicContact CE1-CD2 3.74Å; L81-L115 HydrophobicContact CD2-CD2 4.06Å; F84-L115 HydrophobicContact CD1-CD2 4Å; F84-L115 HydrophobicContact CE1-CD2 3.3Å; F84-L115 HydrophobicContact CE1-CG 3.83Å; F84-L115 HydrophobicContact CE2-CD2 4.5Å; F84-L115 HydrophobicContact CZ-CD2 3.62Å; F84-L115 HydrophobicContact CZ-CG 4.11Å; V90-L115 HydrophobicContact CG1-CD1 3.9Å; V90-L115 HydrophobicContact CG1-CD2 4.02Å; L104-L115 HydrophobicContact CB-CD1 3.78Å; L104-L115 HydrophobicContact CD2-CD1 3.84Å; L104-L115 HydrophobicContact CG-CD1 4.28Å; F112-L115 PolarHBondContact O-N 2.87Å; K113-L115 PolarHBondContact O-N 3.41Å; L115-C119 PolarHBondContact O-SG 3.32Å
116A97.8Very high97.8Very high1 Ų115 Ų151%0.0087%0.072CC..Hα-helixtrans-76.1-33.3-17900000112.8D114 T120 R227 I230 Q231D114-A116 PolarHBondContact O-N 3.42Å; A116-T120 VanDerWaalsContact O-CB 3.28Å; A116-T120 WeakPolarHBondContact O-CB 3.48Å; A116-T120 PolarHBondContact O-N 3.31Å; A116-T120 VanDerWaalsContact O-N 3.1Å; A116-T120 PolarHBondContact O-OG1 3.17Å; A116-R227 WeakPolarHBondContact CB-O 3.23Å; A116-I230 HydrophobicContact CB-CB 3.95Å; A116-I230 HydrophobicContact CB-CG2 4.04Å; A116-Q231 HydrophobicContact CB-CG 4.15Å
117M98Very high97.8Very high0 Ų014 Ų140%07%0.068CC..Hα-helixtrans-68.9-47.9-178.3-167.472.975.300111.3K113 D114 T120 V121 T145 S148 A149 S152 L220K113-M117 WeakPolarHBondContact O-CB 3.35Å; K113-M117 PolarHBondContact O-N 2.85Å; D114-M117 PolarHBondContact O-N 2.78Å; D114-M117 VanDerWaalsContact O-N 3.11Å; M117-T120 PolarHBondContact O-N 3.25Å; M117-V121 HydrophobicContact CG-CG2 4.38Å; M117-V121 WeakPolarHBondContact O-CG2 3.4Å; M117-V121 PolarHBondContact O-N 3.49Å; M117-T145 HydrophobicContact CE-CG2 3.92Å; M117-T145 WeakPolarHBondContact CE-O 3.43Å; M117-S148 WeakPolarHBondContact CG-O 3.43Å; M117-A149 HydrophobicContact CE-CB 3.68Å; M117-A149 HydrophobicContact SD-CB 4.09Å; M117-S152 WeakPolarHBondContact CG-OG 3.5Å; M117-L220 HydrophobicContact CE-CB 4.32Å; M117-L220 HydrophobicContact SD-CB 3.78Å; M117-L220 HydrophobicContact SD-CD1 3.86Å; M117-L220 HydrophobicContact SD-CD2 4.25Å; M117-L220 HydrophobicContact SD-CG 4.19Å
118S97.6Very high97.8Very high20 Ų2014 Ų1414%0.147%0.067CC..Hα-helixtrans-58.7-52.5179.8-57.90000110.2A80 D114 T120 V121 H122 S152A80-S118 VanDerWaalsContact O-CB 3.27Å; A80-S118 WeakPolarHBondContact O-CB 3.37Å; D114-S118 WeakPolarHBondContact O-CB 3.19Å; D114-S118 PolarHBondContact O-N 2.77Å; D114-S118 PolarHBondContact O-OG 3.26Å; D114-S118 VanDerWaalsContact O-OG 3.06Å; S118-T120 VanDerWaalsContact C-N 3.34Å; S118-T120 PolarHBondContact O-N 3.1Å; S118-V121 PolarHBondContact O-N 3.46Å; S118-V121 VanDerWaalsContact O-N 3.17Å; S118-H122 PolarHBondContact O-CD2 3.26Å; S118-H122 PolarHBondContact O-N 2.85Å; S118-S152 PolarHBondContact OG-OG 3.37Å
119C98.3Very high97.9Very high0 Ų017.4 Ų17.40%08%0.076CC..Hα-helixtrans-56.7-46176.8-66.10000112.6A80 L115 V121 H122 F123 I230A80-C119 HydrophobicContact CB-CB 4.4Å; L115-C119 PolarHBondContact O-SG 3.32Å; C119-V121 VanDerWaalsContact C-N 3.31Å; C119-V121 PolarHBondContact O-N 3.02Å; C119-H122 PolarHBondContact O-N 3.15Å; C119-F123 HydrophobicContact CB-CE2 4.13Å; C119-F123 HydrophobicContact CB-CZ 4.07Å; C119-F123 WeakPolarHBondContact O-CD1 3.46Å; C119-F123 VanDerWaalsContact O-CD2 3.3Å; C119-F123 WeakPolarHBondContact O-CD2 3.24Å; C119-F123 WeakPolarHBondContact O-CG 3.47Å; C119-F123 PolarHBondContact O-N 2.98Å; C119-I230 HydrophobicContact CB-CD1 3.8Å; C119-I230 HydrophobicContact CB-CG1 3.82Å; C119-I230 HydrophobicContact CB-CG2 4.35Å
120T98.3Very high97.8Very high0 Ų023.2 Ų23.20%010%0.098CC..Hα-helixtrans-60.3-41.6179.7-60.90000111.8L19 A116 M117 S118 F123 L124 L220 S226L19-T120 HydrophobicContact CD1-CG2 3.87Å; A116-T120 VanDerWaalsContact O-CB 3.28Å; A116-T120 WeakPolarHBondContact O-CB 3.48Å; A116-T120 PolarHBondContact O-N 3.31Å; A116-T120 VanDerWaalsContact O-N 3.1Å; A116-T120 PolarHBondContact O-OG1 3.17Å; M117-T120 PolarHBondContact O-N 3.25Å; S118-T120 VanDerWaalsContact C-N 3.34Å; S118-T120 PolarHBondContact O-N 3.1Å; T120-F123 PolarHBondContact O-N 3.42Å; T120-L124 HydrophobicContact CG2-CD1 4.24Å; T120-L124 WeakPolarHBondContact O-CG 3.29Å; T120-L124 PolarHBondContact O-N 2.94Å; T120-L220 HydrophobicContact CG2-CD2 3.66Å; T120-S226 WeakPolarHBondContact OG1-CB 3.36Å; T120-S226 PolarHBondContact OG1-OG 2.88Å
121V98Very high97.7Very high1 Ų124.7 Ų24.71%0.00611%0.106CC..Hα-helixtrans-71.4-36.1179.4172.70000112.1M117 S118 C119 L124 N125 S152 A153 L156 L159 L220M117-V121 HydrophobicContact CG-CG2 4.38Å; M117-V121 WeakPolarHBondContact O-CG2 3.4Å; M117-V121 PolarHBondContact O-N 3.49Å; S118-V121 PolarHBondContact O-N 3.46Å; S118-V121 VanDerWaalsContact O-N 3.17Å; C119-V121 VanDerWaalsContact C-N 3.31Å; C119-V121 PolarHBondContact O-N 3.02Å; V121-L124 PolarHBondContact O-N 3.33Å; V121-N125 VanDerWaalsContact O-CB 3.29Å; V121-N125 WeakPolarHBondContact O-CB 3.33Å; V121-N125 PolarHBondContact O-N 3.49Å; V121-S152 VanDerWaalsContact CG1-O 3.25Å; V121-S152 WeakPolarHBondContact CG1-O 3.42Å; V121-A153 HydrophobicContact CG1-CB 4.47Å; V121-L156 HydrophobicContact CG1-CD1 3.23Å; V121-L159 HydrophobicContact CG1-CD2 4.43Å; V121-L220 HydrophobicContact CG2-CD1 3.84Å; V121-L220 HydrophobicContact CG2-CD2 4.47Å
122H98.3Very high97.6Very high38 Ų3828.2 Ų28.218%0.17614%0.142CC..Hα-helixtrans-63.3-42.4172-82.4-97.9000111.6L76 E79 A80 S118 C119 L124 N125 Y126L76-H122 HydrophobicContact CD2-CB 4.11Å; E79-H122 VanDerWaalsContact CG-CE1 3.46Å; E79-H122 WeakPolarHBondContact CG-CE1 3.35Å; E79-H122 IonicContact OE1-CE1 3.14Å; E79-H122 IonicContact OE2-CE1 2.86Å; E79-H122 PolarHBondContact OE2-CE1 2.83Å; E79-H122 IonicContact OE2-ND1 3.64Å; E79-H122 PolarHBondContact OE2-ND1 3.04Å; E79-H122 VanDerWaalsContact OE2-ND1 3.14Å; A80-H122 HydrophobicContact CB-CB 4.23Å; S118-H122 PolarHBondContact O-CD2 3.26Å; S118-H122 PolarHBondContact O-N 2.85Å; C119-H122 PolarHBondContact O-N 3.15Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 3.26Å; H122-N125 PolarHBondContact O-N 2.91Å; H122-Y126 PolarHBondContact O-N 3.45Å
123F98.5Very high97.4Very high0 Ų029.1 Ų29.10%015%0.151CC..Hα-helixtrans-62.7-41.1174.7-55-25.3000112.1F15 L19 I63 L73 L76 V77 C119 T120 Y126 F127 M229 I230F15-F123 HydrophobicContact CE1-CD2 4.48Å; F15-F123 AromaticContact CZ-CD2 3.99Å; F15-F123 HydrophobicContact CZ-CD2 3.99Å; L19-F123 HydrophobicContact CD1-CB 4.36Å; L19-F123 HydrophobicContact CD2-CB 3.76Å; I63-F123 HydrophobicContact CD1-CD2 4.4Å; I63-F123 HydrophobicContact CD1-CE2 4.13Å; I63-F123 HydrophobicContact CD1-CZ 4.35Å; L73-F123 HydrophobicContact CD1-CD1 4.36Å; L73-F123 HydrophobicContact CD1-CE1 3.6Å; L73-F123 HydrophobicContact CD1-CZ 3.91Å; L76-F123 HydrophobicContact CB-CD1 4.18Å; L76-F123 HydrophobicContact CB-CE1 4.08Å; L76-F123 HydrophobicContact CD1-CD1 4.14Å; V77-F123 HydrophobicContact CG2-CE1 4.21Å; V77-F123 HydrophobicContact CG2-CZ 4.13Å; C119-F123 HydrophobicContact CB-CE2 4.13Å; C119-F123 HydrophobicContact CB-CZ 4.07Å; C119-F123 WeakPolarHBondContact O-CD1 3.46Å; C119-F123 VanDerWaalsContact O-CD2 3.3Å; C119-F123 WeakPolarHBondContact O-CD2 3.24Å; C119-F123 WeakPolarHBondContact O-CG 3.47Å; C119-F123 PolarHBondContact O-N 2.98Å; T120-F123 PolarHBondContact O-N 3.42Å; F123-Y126 WeakPolarHBondContact O-CB 3.49Å; F123-Y126 PolarHBondContact O-N 2.61Å; F123-F127 WeakPolarHBondContact O-CD2 3.48Å; F123-F127 PolarHBondContact O-N 3Å; F123-M229 HydrophobicContact CD2-CE 4.46Å; F123-M229 HydrophobicContact CE2-CE 3.77Å; F123-I230 HydrophobicContact CE2-CD1 3.95Å; F123-I230 HydrophobicContact CE2-CG1 4.39Å; F123-I230 HydrophobicContact CZ-CD1 4.16Å
124L97.9Very high97.3Very high0 Ų032.6 Ų32.60%016%0.164CC..Hα-helixtrans-61.5-49.3175-76.7165.3000111.3L19 F20 T120 V121 H122 Y126 F127 L128 M218 L220L19-L124 HydrophobicContact CD1-CD2 4.25Å; L19-L124 HydrophobicContact CD1-CG 4.08Å; L19-L124 HydrophobicContact CD2-CD2 4.03Å; L19-L124 HydrophobicContact CD2-CG 4.17Å; L19-L124 HydrophobicContact CG-CD2 3.64Å; L19-L124 HydrophobicContact CG-CG 3.95Å; F20-L124 HydrophobicContact CD1-CD2 3.85Å; F20-L124 HydrophobicContact CD2-CD2 4.18Å; F20-L124 HydrophobicContact CE1-CD2 3.68Å; F20-L124 HydrophobicContact CE2-CD2 4.03Å; F20-L124 HydrophobicContact CG-CD2 4.1Å; F20-L124 HydrophobicContact CZ-CD2 3.78Å; T120-L124 HydrophobicContact CG2-CD1 4.24Å; T120-L124 WeakPolarHBondContact O-CG 3.29Å; T120-L124 PolarHBondContact O-N 2.94Å; V121-L124 PolarHBondContact O-N 3.33Å; H122-L124 VanDerWaalsContact C-N 3.35Å; H122-L124 PolarHBondContact O-N 3.26Å; L124-Y126 VanDerWaalsContact C-N 3.28Å; L124-Y126 PolarHBondContact O-N 2.59Å; L124-F127 PolarHBondContact O-N 2.76Å; L124-L128 HydrophobicContact CB-CD1 4.46Å; L124-L128 WeakPolarHBondContact O-CB 3.44Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 2.91Å; L124-M218 HydrophobicContact CD1-CE 3.54Å; L124-M218 HydrophobicContact CD1-SD 3.99Å; L124-M218 HydrophobicContact CD2-CE 3.71Å; L124-M218 HydrophobicContact CD2-SD 3.58Å; L124-M218 VanDerWaalsContact CD2-SD 3.58Å; L124-M218 HydrophobicContact CG-CE 4.24Å; L124-M218 HydrophobicContact CG-SD 4.45Å; L124-L220 HydrophobicContact CD1-CD2 3.74Å
125N97.8Very high97.3Very high12 Ų1232.5 Ų32.56%0.06416%0.163CC..Hα-helixtrans-61.5-36.6-178.7-175.544000111.9V121 H122 L128 R129 L156V121-N125 VanDerWaalsContact O-CB 3.29Å; V121-N125 WeakPolarHBondContact O-CB 3.33Å; V121-N125 PolarHBondContact O-N 3.49Å; H122-N125 PolarHBondContact O-N 2.91Å; N125-L128 PolarHBondContact O-N 3.06Å; N125-R129 PolarHBondContact ND2-NE 3Å; N125-R129 PolarHBondContact ND2-NH2 3.13Å; N125-R129 WeakPolarHBondContact O-CB 3.17Å; N125-R129 VanDerWaalsContact O-CG 3.27Å; N125-R129 WeakPolarHBondContact O-CG 3.41Å; N125-R129 PolarHBondContact O-N 2.8Å; N125-R129 PolarHBondContact OD1-NE 3.35Å; N125-R129 VanDerWaalsContact OD1-NE 3.07Å; N125-L156 HydrophobicContact CB-CD1 4.26Å
126Y98.3Very high97.2Very high47 Ų4732.6 Ų32.618%0.18416%0.164CC..Hα-helixtrans-54.4-53.2172.5171.6-95.4000111.5I68 D72 L76 H122 F123 L124 R130I68-Y126 HydrophobicContact CB-CE1 4.45Å; I68-Y126 HydrophobicContact CD1-CD1 4.21Å; I68-Y126 HydrophobicContact CD1-CE1 4.44Å; I68-Y126 HydrophobicContact CG1-CD1 4.12Å; I68-Y126 HydrophobicContact CG1-CE1 3.84Å; I68-Y126 HydrophobicContact CG2-CE1 4.39Å; D72-Y126 HydrophobicContact CB-CE2 4.22Å; L76-Y126 HydrophobicContact CD1-CD2 3.99Å; L76-Y126 HydrophobicContact CD1-CG 3.97Å; H122-Y126 PolarHBondContact O-N 3.45Å; F123-Y126 WeakPolarHBondContact O-CB 3.49Å; F123-Y126 PolarHBondContact O-N 2.61Å; L124-Y126 VanDerWaalsContact C-N 3.28Å; L124-Y126 PolarHBondContact O-N 2.59Å; Y126-R130 VanDerWaalsContact O-CB 3.31Å; Y126-R130 WeakPolarHBondContact O-CB 3.47Å; Y126-R130 PolarHBondContact O-N 3.06Å
127F98.1Very high97.2Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-70.6-39.5178.8-69-63.6000113.3F15 R16 L19 F20 L67 I68 F123 L124 R129 R130 D131F15-F127 HydrophobicContact CD1-CE2 4.28Å; F15-F127 HydrophobicContact CE1-CE2 4.29Å; R16-F127 HydrophobicContact CB-CE1 4.22Å; R16-F127 HydrophobicContact CB-CE2 4.24Å; R16-F127 HydrophobicContact CB-CZ 4.06Å; R16-F127 HydrophobicContact CG-CD1 4.02Å; R16-F127 HydrophobicContact CG-CD2 4.19Å; R16-F127 HydrophobicContact CG-CE1 4.2Å; R16-F127 HydrophobicContact CG-CE2 4.36Å; R16-F127 HydrophobicContact CG-CG 4.01Å; R16-F127 HydrophobicContact CG-CZ 4.37Å; L19-F127 HydrophobicContact CD2-CD2 3.69Å; L19-F127 HydrophobicContact CD2-CE2 3.84Å; F20-F127 HydrophobicContact CE2-CB 3.55Å; F20-F127 HydrophobicContact CE2-CD2 4.1Å; F20-F127 HydrophobicContact CE2-CG 4.11Å; F20-F127 HydrophobicContact CZ-CB 3.79Å; L67-F127 HydrophobicContact CB-CZ 4.3Å; I68-F127 HydrophobicContact CD1-CE2 3.86Å; I68-F127 HydrophobicContact CD1-CZ 3.9Å; I68-F127 HydrophobicContact CG1-CE1 4.41Å; I68-F127 HydrophobicContact CG1-CE2 4.15Å; I68-F127 HydrophobicContact CG1-CZ 3.64Å; F123-F127 WeakPolarHBondContact O-CD2 3.48Å; F123-F127 PolarHBondContact O-N 3Å; L124-F127 PolarHBondContact O-N 2.76Å; F127-R129 VanDerWaalsContact C-N 3.32Å; F127-R129 PolarHBondContact O-N 3.06Å; F127-R130 PolarHBondContact O-N 3.01Å; F127-D131 VanDerWaalsContact O-CB 3.28Å; F127-D131 WeakPolarHBondContact O-CB 3.19Å; F127-D131 PolarHBondContact O-N 2.78Å
128L96.9Very high97.1Very high5 Ų532.6 Ų32.63%0.02616%0.164CC..Hα-helixtrans-59-44.4177.7-74.7168.8000111.4F20 L124 N125 G132 S133 A135 L159F20-L128 HydrophobicContact CE1-CD2 3.66Å; F20-L128 HydrophobicContact CE1-CG 3.88Å; F20-L128 HydrophobicContact CZ-CD2 4.05Å; F20-L128 HydrophobicContact CZ-CG 3.89Å; L124-L128 HydrophobicContact CB-CD1 4.46Å; L124-L128 WeakPolarHBondContact O-CB 3.44Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.39Å; L124-L128 PolarHBondContact O-N 2.91Å; N125-L128 PolarHBondContact O-N 3.06Å; L128-G132 WeakPolarHBondContact O-CA 3.4Å; L128-G132 PolarHBondContact O-N 3.37Å; L128-S133 PolarHBondContact O-N 3.3Å; L128-A135 HydrophobicContact CD2-CB 4.22Å; L128-L159 HydrophobicContact CD1-CB 4.21Å; L128-L159 HydrophobicContact CD1-CD1 4.14Å
129R97Very high97.1Very high164 Ų16431.6 Ų31.662%0.61916%0.157SC*.Hα-helixtrans-66.9-47.8176.2-72.9178-178.9-174.20.2111.7N125 F127 D131 G132N125-R129 PolarHBondContact ND2-NE 3Å; N125-R129 PolarHBondContact ND2-NH2 3.13Å; N125-R129 WeakPolarHBondContact O-CB 3.17Å; N125-R129 VanDerWaalsContact O-CG 3.27Å; N125-R129 WeakPolarHBondContact O-CG 3.41Å; N125-R129 PolarHBondContact O-N 2.8Å; N125-R129 PolarHBondContact OD1-NE 3.35Å; N125-R129 VanDerWaalsContact OD1-NE 3.07Å; F127-R129 VanDerWaalsContact C-N 3.32Å; F127-R129 PolarHBondContact O-N 3.06Å; R129-D131 VanDerWaalsContact C-N 3.29Å; R129-D131 PolarHBondContact O-N 3.37Å; R129-G132 PolarHBondContact O-N 2.73Å
130R96.2Very high97Very high123 Ų12331.6 Ų31.646%0.46416%0.157SC..Hα-helixtrans-58.4-42.7-179.9-171.8-173.674.1175.54.5112.1L67 Y126 F127L67-R130 PolarHBondContact O-NH1 2.67Å; Y126-R130 VanDerWaalsContact O-CB 3.31Å; Y126-R130 WeakPolarHBondContact O-CB 3.47Å; Y126-R130 PolarHBondContact O-N 3.06Å; F127-R130 PolarHBondContact O-N 3.01Å
131D95.3Very high96.8Very high60 Ų6031.7 Ų31.732%0.32116%0.157SC..THydrogen-bonded Turntrans-94-1.9-172.9-53.3-20.9000112.5R16 F127 R129 S133R16-D131 IonicContact CZ-OD2 2.72Å; R16-D131 IonicContact NE-OD2 2.85Å; R16-D131 PolarHBondContact NE-OD2 3.38Å; R16-D131 IonicContact NH2-OD2 3.82Å; R16-D131 PolarHBondContact NH2-OD2 2.98Å; F127-D131 VanDerWaalsContact O-CB 3.28Å; F127-D131 WeakPolarHBondContact O-CB 3.19Å; F127-D131 PolarHBondContact O-N 2.78Å; R129-D131 VanDerWaalsContact C-N 3.29Å; R129-D131 PolarHBondContact O-N 3.37Å; D131-S133 PolarHBondContact O-N 3.26Å
132G95.1Very high96.5Very high74 Ų7432.2 Ų32.276%0.76316%0.161SC*.THydrogen-bonded Turntrans58.433.3-176.500000113.2L128 R129L128-G132 WeakPolarHBondContact O-CA 3.4Å; L128-G132 PolarHBondContact O-N 3.37Å; R129-G132 PolarHBondContact O-N 2.73Å
133S94.8Very high96.1Very high39 Ų3930.4 Ų30.427%0.27315%0.153SC..  trans-110.5174.7-168.466.10000112.6L128 D131L128-S133 PolarHBondContact O-N 3.3Å; D131-S133 PolarHBondContact O-N 3.26Å
134R95.7Very high95.9Very high94 Ų9430.6 Ų30.636%0.35515%0.154SC..  trans-134.7152178-56.7-176.5678111.8110.9P157 G158 D160 S216 R488R134-P157 PolarHBondContact NH1-O 3.12Å; R134-P157 PolarHBondContact NH2-O 3.4Å; R134-G158 CarbonylContact C-O 3.51Å; R134-G158 WeakPolarHBondContact CA-O 3.29Å; R134-D160 IonicContact CZ-OD2 3.37Å; R134-D160 IonicContact NE-OD2 3.79Å; R134-D160 IonicContact NH2-OD2 3.65Å; R134-D160 PolarHBondContact NH2-OD2 3.2Å; R134-S216 WeakPolarHBondContact O-CB 3.34Å; R134-R488 VanDerWaalsContact NH2-CD 3.28Å
135A96.4Very high95.8Very high1 Ų131.1 Ų31.11%0.00816%0.157CC..EExtended strand (participates in β ladder)trans-136.1152.7173.100000111.9F20 L128 G158 L159 D160 M218F20-A135 HydrophobicContact CD1-CB 4.28Å; F20-A135 HydrophobicContact CE1-CB 4.25Å; L128-A135 HydrophobicContact CD2-CB 4.22Å; A135-G158 PolarHBondContact N-O 3.37Å; A135-L159 HydrophobicContact CB-CD1 3.92Å; A135-D160 PolarHBondContact O-N 3.22Å; A135-M218 HydrophobicContact CB-CG 4.43Å; A135-M218 HydrophobicContact CB-SD 4.26Å
136V97.6Very high95.8Very high5 Ų530.6 Ų30.63%0.0315%0.154CC..EExtended strand (participates in β ladder)trans-109.3122.9170.7-177.80000107.9D160 L162 S216 L217 M218 I481V136-D160 CarbonylContact C-O 3.57Å; V136-D160 WeakPolarHBondContact CA-O 3.5Å; V136-L162 HydrophobicContact CG1-CD1 3.53Å; V136-S216 PolarHBondContact N-O 2.98Å; V136-L217 HydrophobicContact CB-CD1 4.21Å; V136-L217 HydrophobicContact CG1-CD1 4.06Å; V136-L217 CarbonylContact O-C 3.52Å; V136-L217 WeakPolarHBondContact O-CA 3.29Å; V136-M218 PolarHBondContact O-N 2.98Å; V136-I481 HydrophobicContact CG1-CG1 4.2Å; V136-I481 HydrophobicContact CG1-CG2 4.35Å
137V97Very high95.7Very high0 Ų028.4 Ų28.40%015%0.146CC..EExtended strand (participates in β ladder)trans-98.8134.2178.5175.70000109.3V139 L159 D160 V161 L162 M218 L220V137-V139 HydrophobicContact CG1-CG2 3.64Å; V137-L159 HydrophobicContact CG2-CD1 3.39Å; V137-L159 HydrophobicContact CG2-CD2 4.2Å; V137-L159 HydrophobicContact CG2-CG 3.92Å; V137-D160 PolarHBondContact N-O 3.47Å; V137-V161 HydrophobicContact CB-CB 4.47Å; V137-V161 HydrophobicContact CB-CG1 4.29Å; V137-V161 HydrophobicContact CB-CG2 4.13Å; V137-V161 HydrophobicContact CG1-CG1 4.21Å; V137-V161 HydrophobicContact CG2-CG2 4.42Å; V137-L162 PolarHBondContact O-N 2.92Å; V137-M218 CarbonylContact C-O 3.6Å; V137-M218 WeakPolarHBondContact CA-O 3.38Å; V137-M218 HydrophobicContact CG2-CE 4.47Å; V137-M218 HydrophobicContact CG2-CG 3.76Å; V137-M218 HydrophobicContact CG2-SD 4.02Å; V137-L220 HydrophobicContact CG1-CB 3.81Å; V137-L220 HydrophobicContact CG1-CD1 3.74Å; V137-L220 HydrophobicContact CG1-CG 3.51Å; V137-L220 HydrophobicContact CG2-CD1 4.17Å; V137-L220 HydrophobicContact CG2-CG 4.17Å
138L96.8Very high95.7Very high1 Ų128.4 Ų28.41%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-114.9126.7169.8-170.760.7000110.9L162 V164 L202 L205 F206 L217 M218 S219L138-L162 WeakPolarHBondContact CA-O 3.31Å; L138-L162 HydrophobicContact CD1-CB 3.77Å; L138-L162 HydrophobicContact CD1-CD2 4.36Å; L138-V164 HydrophobicContact CD1-CG2 4.47Å; L138-L202 HydrophobicContact CD1-CD1 4.3Å; L138-L202 HydrophobicContact CD1-CG 4.41Å; L138-L202 HydrophobicContact CD2-CB 4.39Å; L138-L202 HydrophobicContact CD2-CD1 3.95Å; L138-L202 HydrophobicContact CD2-CG 3.59Å; L138-L202 HydrophobicContact CG-CD1 4.17Å; L138-L202 HydrophobicContact CG-CD2 4.19Å; L138-L202 HydrophobicContact CG-CG 3.76Å; L138-L205 HydrophobicContact CD2-CB 4.36Å; L138-L205 HydrophobicContact CD2-CD1 3.57Å; L138-F206 HydrophobicContact CB-CE2 4.36Å; L138-F206 HydrophobicContact CB-CZ 4.13Å; L138-F206 HydrophobicContact CD2-CE2 4.33Å; L138-L217 HydrophobicContact CB-CD1 4.23Å; L138-M218 PolarHBondContact N-O 2.91Å; L138-S219 WeakPolarHBondContact O-CA 3.43Å; L138-S219 PolarHBondContact O-OG 3.02Å; L138-S219 VanDerWaalsContact O-OG 3.06Å
139V96.9Very high95.8Very high0 Ų028.1 Ų28.10%014%0.144CC..EExtended strand (participates in β ladder)trans-127.8118.9-178.8-173.90000111.5V137 T145 A149 V161 L162 V163 V164 L220 N221V137-V139 HydrophobicContact CG1-CG2 3.64Å; V139-T145 HydrophobicContact CG1-CG2 3.87Å; V139-A149 HydrophobicContact CG2-CB 3.97Å; V139-V161 HydrophobicContact CG2-CG1 4.45Å; V139-L162 PolarHBondContact N-O 2.73Å; V139-V163 HydrophobicContact CB-CG2 4.2Å; V139-V163 CarbonylContact O-C 3.58Å; V139-V163 WeakPolarHBondContact O-CA 3.38Å; V139-V164 PolarHBondContact O-N 3.38Å; V139-L220 HydrophobicContact CG2-CB 3.88Å; V139-N221 VanDerWaalsContact CA-OD1 3.27Å; V139-N221 WeakPolarHBondContact CA-OD1 3.37Å
140G96Very high95.8Very high0 Ų020.3 Ų20.30%012%0.115CC..EExtended strand (participates in β ladder)trans-90.5139163.200000109.8L202 N221G140-L202 VanDerWaalsContact CA-CD2 3.5Å; G140-L202 VanDerWaalsContact N-CD2 3.27Å; G140-N221 PolarHBondContact N-OD1 2.9Å; G140-N221 VanDerWaalsContact N-OD1 3.14Å; G140-N221 PolarHBondContact O-ND2 3.41Å
141T94.8Very high95.8Very high2 Ų216.1 Ų16.11%0.01210%0.099CC..  trans-143145-176.7-165.10000114.9G143 T145 G146 V163 V164 F165 P166 M178T141-G143 VanDerWaalsContact C-N 3.29Å; T141-G143 PolarHBondContact OG1-N 2.9Å; T141-G143 PolarHBondContact OG1-O 2.81Å; T141-T145 VanDerWaalsContact OG1-CB 3.3Å; T141-T145 WeakPolarHBondContact OG1-CB 3.46Å; T141-T145 PolarHBondContact OG1-N 3.01Å; T141-T145 VanDerWaalsContact OG1-N 3.16Å; T141-G146 PolarHBondContact OG1-N 3.12Å; T141-V163 HydrophobicContact CG2-CG1 4.15Å; T141-V164 PolarHBondContact N-O 2.87Å; T141-F165 HydrophobicContact CG2-CB 3.65Å; T141-P166 WeakPolarHBondContact O-CD 3.44Å; T141-M178 HydrophobicContact CG2-CE 4.34Å; T141-M178 HydrophobicContact CG2-SD 3.75Å
142S90.6Very high95.8Very high12 Ų1214.3 Ų14.38%0.0849%0.091CC..SBendtrans-89.113.7163.458.10000113.5I170 A324S142-I170 VanDerWaalsContact O-CG2 3.31Å; S142-I170 WeakPolarHBondContact O-CG2 3.48Å; S142-A324 PolarHBondContact OG-O 2.92Å
143G90.6Very high95.9Very high0 Ų010.8 Ų10.80%06%0.055CC..SBendtrans135.8-80.117600000112.6T141 T145T141-G143 VanDerWaalsContact C-N 3.29Å; T141-G143 PolarHBondContact OG1-N 2.9Å; T141-G143 PolarHBondContact OG1-O 2.81Å; G143-T145 PolarHBondContact O-N 3.48Å
144D95.1Very high95.8Very high3 Ų313 Ų132%0.0166%0.057CC..Hα-helixtrans-67.1-32-168.6-46.6-52000114.1A111 K113 G146 G147 S148 Q174 A324 K432A111-D144 HydrophobicContact CB-CB 3.8Å; K113-D144 HydrophobicContact CD-CB 3.81Å; K113-D144 HydrophobicContact CG-CB 4.43Å; K113-D144 IonicContact NZ-OD2 2.81Å; K113-D144 PolarHBondContact NZ-OD2 3.38Å; D144-G146 VanDerWaalsContact C-N 3.31Å; D144-G146 PolarHBondContact O-N 2.97Å; D144-G147 PolarHBondContact O-N 3.36Å; D144-S148 PolarHBondContact O-N 3.39Å; D144-S148 PolarHBondContact O-OG 2.86Å; D144-Q174 PolarHBondContact OD1-NE2 2.85Å; D144-A324 WeakPolarHBondContact OD2-CB 3.27Å; D144-K432 WeakPolarHBondContact OD1-CE 3.29Å; D144-K432 IonicContact OD1-NZ 2.89Å; D144-K432 PolarHBondContact OD1-NZ 3.35Å
145T95.6Very high95.6Very high12 Ų1211.6 Ų11.67%0.0746%0.062CC..Hα-helixtrans-63.4-42.2-174.1-49.80000110.9K113 M117 V139 T141 G143 A149K113-T145 VanDerWaalsContact CD-CA 3.48Å; K113-T145 HydrophobicContact CD-CG2 4.42Å; K113-T145 WeakPolarHBondContact CD-OG1 3.46Å; K113-T145 WeakPolarHBondContact CE-OG1 3.4Å; M117-T145 HydrophobicContact CE-CG2 3.92Å; M117-T145 WeakPolarHBondContact CE-O 3.43Å; V139-T145 HydrophobicContact CG1-CG2 3.87Å; T141-T145 VanDerWaalsContact OG1-CB 3.3Å; T141-T145 WeakPolarHBondContact OG1-CB 3.46Å; T141-T145 PolarHBondContact OG1-N 3.01Å; T141-T145 VanDerWaalsContact OG1-N 3.16Å; G143-T145 PolarHBondContact O-N 3.48Å; T145-A149 WeakPolarHBondContact O-CB 3.38Å; T145-A149 PolarHBondContact O-N 3.29Å
146G97Very high95.5Very high0 Ų012.7 Ų12.70%07%0.067CC..Hα-helixtrans-64.9-45178.500000111.6T141 D144 S148 A149 V150T141-G146 PolarHBondContact OG1-N 3.12Å; D144-G146 VanDerWaalsContact C-N 3.31Å; D144-G146 PolarHBondContact O-N 2.97Å; G146-S148 PolarHBondContact O-N 3.4Å; G146-A149 PolarHBondContact O-N 2.92Å; G146-V150 WeakPolarHBondContact O-CB 3.49Å; G146-V150 WeakPolarHBondContact O-CG2 3.4Å; G146-V150 PolarHBondContact O-N 3.4Å
147G97.1Very high95.1Very high1 Ų116.7 Ų16.71%0.019%0.093CC..Hα-helixtrans-56-52.3175.700000112.1D144 A149 V150 R151 M178D144-G147 PolarHBondContact O-N 3.36Å; G147-A149 VanDerWaalsContact C-N 3.3Å; G147-A149 PolarHBondContact O-N 3.43Å; G147-V150 PolarHBondContact O-N 2.96Å; G147-R151 WeakPolarHBondContact O-CG 3.4Å; G147-R151 PolarHBondContact O-N 3.04Å; G147-M178 VanDerWaalsContact N-CG 3.35Å
148S97.8Very high95Very high0 Ų017.1 Ų17.10%010%0.098CC..Hα-helixtrans-59.1-41.3177.6-58.90000112T109 K113 D114 M117 D144 G146 S152T109-S148 PolarHBondContact OG1-OG 3.48Å; K113-S148 WeakPolarHBondContact CB-OG 3.47Å; D114-S148 PolarHBondContact N-OG 3.05Å; D114-S148 VanDerWaalsContact OD1-CB 3.25Å; D114-S148 WeakPolarHBondContact OD1-CB 3.33Å; D114-S148 PolarHBondContact OD1-OG 3.29Å; M117-S148 WeakPolarHBondContact CG-O 3.43Å; D144-S148 PolarHBondContact O-N 3.39Å; D144-S148 PolarHBondContact O-OG 2.86Å; G146-S148 PolarHBondContact O-N 3.4Å; S148-S152 VanDerWaalsContact O-CB 3.24Å; S148-S152 WeakPolarHBondContact O-CB 3.34Å; S148-S152 PolarHBondContact O-N 2.9Å; S148-S152 PolarHBondContact O-OG 2.88Å
149A97.8Very high95Very high0 Ų017.1 Ų17.10%010%0.098CC..Hα-helixtrans-64-49.1-179.400000111M117 V139 T145 G146 G147 S152 A153 V161 L220M117-A149 HydrophobicContact CE-CB 3.68Å; M117-A149 HydrophobicContact SD-CB 4.09Å; V139-A149 HydrophobicContact CG2-CB 3.97Å; T145-A149 WeakPolarHBondContact O-CB 3.38Å; T145-A149 PolarHBondContact O-N 3.29Å; G146-A149 PolarHBondContact O-N 2.92Å; G147-A149 VanDerWaalsContact C-N 3.3Å; G147-A149 PolarHBondContact O-N 3.43Å; A149-S152 PolarHBondContact O-N 3.42Å; A149-A153 WeakPolarHBondContact O-CB 3.24Å; A149-A153 PolarHBondContact O-N 2.6Å; A149-V161 HydrophobicContact CB-CG1 4.47Å; A149-L220 HydrophobicContact CB-CD1 4.4Å
150V97.5Very high95Very high0 Ų017.2 Ų17.20%010%0.098CC..Hα-helixtrans-57.4-52.4176.8167.20000110.7G146 G147 S152 A153 R154 V163 M178 C181 V186G146-V150 WeakPolarHBondContact O-CB 3.49Å; G146-V150 WeakPolarHBondContact O-CG2 3.4Å; G146-V150 PolarHBondContact O-N 3.4Å; G147-V150 PolarHBondContact O-N 2.96Å; V150-S152 PolarHBondContact O-N 2.9Å; V150-A153 PolarHBondContact O-N 3.39Å; V150-R154 WeakPolarHBondContact O-CB 3.42Å; V150-R154 PolarHBondContact O-N 3.3Å; V150-V163 HydrophobicContact CG2-CB 4.48Å; V150-V163 HydrophobicContact CG2-CG2 3.7Å; V150-M178 HydrophobicContact CG2-CB 4.43Å; V150-M178 HydrophobicContact CG2-CG 4.47Å; V150-C181 HydrophobicContact CG1-CB 3.27Å; V150-V186 HydrophobicContact CB-CG1 4.47Å; V150-V186 HydrophobicContact CG1-CG1 3.84Å; V150-V186 HydrophobicContact CG1-CG2 4.26Å; V150-V186 HydrophobicContact CG2-CG1 3.91Å
151R96Very high95.1Very high35 Ų3517.2 Ų17.213%0.13210%0.098CC..Hα-helixtrans-68.3-34.4-176.1-64.4-56.3176159.6-7.2113.7E108 T109 G147 R154 H177 S180E108-R151 HydrophobicContact CG-CG 4.47Å; E108-R151 WeakPolarHBondContact OE1-CD 3.2Å; E108-R151 IonicContact OE1-NE 3.82Å; E108-R151 IonicContact OE1-NH1 3.01Å; E108-R151 PolarHBondContact OE1-NH1 3.03Å; T109-R151 HydrophobicContact CG2-CB 3.91Å; T109-R151 HydrophobicContact CG2-CG 3.57Å; G147-R151 WeakPolarHBondContact O-CG 3.4Å; G147-R151 PolarHBondContact O-N 3.04Å; R151-R154 VanDerWaalsContact NH1-NH1 3.18Å; R151-R154 WeakPolarHBondContact O-CG 3.45Å; R151-H177 PolarHBondContact NE-O 3.2Å; R151-S180 PolarHBondContact NH2-OG 3.23Å
152S96.3Very high95.3Very high22 Ų2217.1 Ų17.115%0.15410%0.098CC..Hα-helixtrans-74.6-34178.3-56.10000112.3M117 S118 V121 S148 A149 V150M117-S152 WeakPolarHBondContact CG-OG 3.5Å; S118-S152 PolarHBondContact OG-OG 3.37Å; V121-S152 VanDerWaalsContact CG1-O 3.25Å; V121-S152 WeakPolarHBondContact CG1-O 3.42Å; S148-S152 VanDerWaalsContact O-CB 3.24Å; S148-S152 WeakPolarHBondContact O-CB 3.34Å; S148-S152 PolarHBondContact O-N 2.9Å; S148-S152 PolarHBondContact O-OG 2.88Å; A149-S152 PolarHBondContact O-N 3.42Å; V150-S152 PolarHBondContact O-N 2.9Å
153A95.7Very high95.6Very high0 Ų016.5 Ų16.50%09%0.094CC..Hα-helixtrans-97.6-7.7-173.800000114.9V121 A149 V150 L156 L159 V161 N185V121-A153 HydrophobicContact CG1-CB 4.47Å; A149-A153 WeakPolarHBondContact O-CB 3.24Å; A149-A153 PolarHBondContact O-N 2.6Å; V150-A153 PolarHBondContact O-N 3.39Å; A153-L156 WeakPolarHBondContact O-CB 3.3Å; A153-L156 PolarHBondContact O-N 3.09Å; A153-L159 HydrophobicContact CB-CD2 3.74Å; A153-V161 HydrophobicContact CB-CG2 3.34Å; A153-N185 PolarHBondContact O-ND2 3.23Å
154R94.2Very high96Very high85 Ų8516.6 Ų16.632%0.3219%0.094SC..THydrogen-bonded Turntrans-54.9143.6-179.173.1177.3172.6-154.2-19.2111.2E108 V150 R151 L156 E183E108-R154 VanDerWaalsContact CD-NH2 3.34Å; E108-R154 IonicContact OE1-CZ 2.8Å; E108-R154 IonicContact OE1-NH1 3.14Å; E108-R154 PolarHBondContact OE1-NH1 2.99Å; E108-R154 IonicContact OE1-NH2 3.96Å; E108-R154 PolarHBondContact OE1-NH2 2.89Å; E108-R154 VanDerWaalsContact OE1-NH2 3.14Å; E108-R154 IonicContact OE2-CZ 3.74Å; E108-R154 IonicContact OE2-NH1 2.75Å; E108-R154 IonicContact OE2-NH2 2.8Å; E108-R154 PolarHBondContact OE2-NH2 3.48Å; V150-R154 WeakPolarHBondContact O-CB 3.42Å; V150-R154 PolarHBondContact O-N 3.3Å; R151-R154 VanDerWaalsContact NH1-NH1 3.18Å; R151-R154 WeakPolarHBondContact O-CG 3.45Å; R154-L156 PolarHBondContact O-N 3.2Å; R154-E183 HydrophobicContact CB-CG 4.2Å
155S90.8Very high96.1Very high64 Ų6416.5 Ų16.545%0.4489%0.094SC..THydrogen-bonded Turntrans6211.4174.2-25.60000114.3P157 E183 N185S155-P157 WeakPolarHBondContact O-CD 3.41Å; S155-E183 PolarHBondContact OG-OE1 3.13Å; S155-N185 PolarHBondContact N-OD1 2.95Å; S155-N185 VanDerWaalsContact N-OD1 3.11Å
156L94.4Very high96.2Very high24 Ų2416 Ų1613%0.1269%0.091CC..  trans-83.9112.4173.7-68.2-174000110.1V121 N125 A153 R154 G158 L159 N185V121-L156 HydrophobicContact CG1-CD1 3.23Å; N125-L156 HydrophobicContact CB-CD1 4.26Å; A153-L156 WeakPolarHBondContact O-CB 3.3Å; A153-L156 PolarHBondContact O-N 3.09Å; R154-L156 PolarHBondContact O-N 3.2Å; L156-G158 PolarHBondContact O-N 3.42Å; L156-L159 HydrophobicContact CB-CB 4.09Å; L156-L159 HydrophobicContact CD1-CD2 4.29Å; L156-L159 PolarHBondContact O-N 2.66Å; L156-L159 VanDerWaalsContact O-N 3.12Å; L156-L159 VanDerWaalsContact O-O 3.11Å; L156-N185 PolarHBondContact O-ND2 3.31Å
157P89.1Confident96.1Very high89 Ų8920.4 Ų20.458%0.57811%0.107SC*.THydrogen-bonded Turntrans-64.3-31.2-171.324.8-34.2000111.9R134 S155 L159R134-P157 PolarHBondContact NH1-O 3.12Å; R134-P157 PolarHBondContact NH2-O 3.4Å; S155-P157 WeakPolarHBondContact O-CD 3.41Å; P157-L159 VanDerWaalsContact C-N 3.32Å; P157-L159 PolarHBondContact O-N 2.97Å
158G94.9Very high95.9Very high10 Ų1023.2 Ų23.210%0.10314%0.136CC..THydrogen-bonded Turntrans-830.6-179.200000115.2R134 A135 L156R134-G158 CarbonylContact C-O 3.51Å; R134-G158 WeakPolarHBondContact CA-O 3.29Å; A135-G158 PolarHBondContact N-O 3.37Å; L156-G158 PolarHBondContact O-N 3.42Å
159L96.2Very high95.7Very high0 Ų027.3 Ų27.30%015%0.152CC..EExtended strand (participates in β ladder)trans-134.5122.2-170.2-163.664000110.9V121 L128 A135 V137 A153 L156 P157 V161 N185V121-L159 HydrophobicContact CG1-CD2 4.43Å; L128-L159 HydrophobicContact CD1-CB 4.21Å; L128-L159 HydrophobicContact CD1-CD1 4.14Å; A135-L159 HydrophobicContact CB-CD1 3.92Å; V137-L159 HydrophobicContact CG2-CD1 3.39Å; V137-L159 HydrophobicContact CG2-CD2 4.2Å; V137-L159 HydrophobicContact CG2-CG 3.92Å; A153-L159 HydrophobicContact CB-CD2 3.74Å; L156-L159 HydrophobicContact CB-CB 4.09Å; L156-L159 HydrophobicContact CD1-CD2 4.29Å; L156-L159 PolarHBondContact O-N 2.66Å; L156-L159 VanDerWaalsContact O-N 3.12Å; L156-L159 VanDerWaalsContact O-O 3.11Å; P157-L159 VanDerWaalsContact C-N 3.32Å; P157-L159 PolarHBondContact O-N 2.97Å; L159-V161 HydrophobicContact CD2-CG2 4.29Å; L159-V161 HydrophobicContact CG-CG2 4.14Å; L159-N185 WeakPolarHBondContact O-CB 3.38Å; L159-N185 PolarHBondContact O-ND2 2.96Å
160D98Very high95.6Very high2 Ų228.2 Ų28.21%0.01116%0.157CC..EExtended strand (participates in β ladder)trans-107.1132.1169.7-67.1-86.6000109R134 A135 V136 V137 H187 V484 R488R134-D160 IonicContact CZ-OD2 3.37Å; R134-D160 IonicContact NE-OD2 3.79Å; R134-D160 IonicContact NH2-OD2 3.65Å; R134-D160 PolarHBondContact NH2-OD2 3.2Å; A135-D160 PolarHBondContact O-N 3.22Å; V136-D160 CarbonylContact C-O 3.57Å; V136-D160 WeakPolarHBondContact CA-O 3.5Å; V137-D160 PolarHBondContact N-O 3.47Å; D160-H187 IonicContact OD1-NE2 2.74Å; D160-V484 HydrophobicContact CB-CG1 3.61Å; D160-R488 IonicContact OD1-CZ 3.51Å; D160-R488 VanDerWaalsContact OD1-CZ 3.26Å; D160-R488 IonicContact OD1-NE 2.63Å; D160-R488 PolarHBondContact OD1-NE 3.1Å; D160-R488 IonicContact OD1-NH2 3.26Å; D160-R488 PolarHBondContact OD1-NH2 2.99Å; D160-R488 WeakPolarHBondContact OD2-CG 3.33Å; D160-R488 IonicContact OD2-NE 2.8Å; D160-R488 PolarHBondContact OD2-NE 3.36Å
161V97.8Very high95.5Very high0 Ų029.7 Ų29.70%017%0.165CC..EExtended strand (participates in β ladder)trans-118.8117.7-173.6-173.40000111.3V137 V139 A149 A153 L159 V163 N185 H187V137-V161 HydrophobicContact CB-CB 4.47Å; V137-V161 HydrophobicContact CB-CG1 4.29Å; V137-V161 HydrophobicContact CB-CG2 4.13Å; V137-V161 HydrophobicContact CG1-CG1 4.21Å; V137-V161 HydrophobicContact CG2-CG2 4.42Å; V139-V161 HydrophobicContact CG2-CG1 4.45Å; A149-V161 HydrophobicContact CB-CG1 4.47Å; A153-V161 HydrophobicContact CB-CG2 3.34Å; L159-V161 HydrophobicContact CD2-CG2 4.29Å; L159-V161 HydrophobicContact CG-CG2 4.14Å; V161-V163 HydrophobicContact CG1-CG2 3.73Å; V161-N185 PolarHBondContact N-O 3.36Å; V161-H187 PolarHBondContact O-N 3.23Å
162L98.3Very high95.4Very high0 Ų030.8 Ų30.80%018%0.182CC..EExtended strand (participates in β ladder)trans-99.3120.1171.4-72.470.1000108.8V136 V137 L138 V139 H187 F189 W480 I481V136-L162 HydrophobicContact CG1-CD1 3.53Å; V137-L162 PolarHBondContact O-N 2.92Å; L138-L162 WeakPolarHBondContact CA-O 3.31Å; L138-L162 HydrophobicContact CD1-CB 3.77Å; L138-L162 HydrophobicContact CD1-CD2 4.36Å; V139-L162 PolarHBondContact N-O 2.73Å; L162-H187 CarbonylContact C-O 3.58Å; L162-H187 VanDerWaalsContact CA-O 3.29Å; L162-H187 WeakPolarHBondContact CA-O 3.36Å; L162-H187 HydrophobicContact CD1-CB 4.45Å; L162-H187 HydrophobicContact CG-CB 4.07Å; L162-F189 HydrophobicContact CD2-CE2 4.33Å; L162-F189 HydrophobicContact CG-CE2 4.28Å; L162-W480 HydrophobicContact CD2-CB 4.43Å; L162-W480 HydrophobicContact CD2-CG 4.44Å; L162-I481 HydrophobicContact CD2-CD1 4.43Å; L162-I481 HydrophobicContact CD2-CG1 3.62Å
163V98.3Very high95.4Very high0 Ų030.7 Ų30.70%018%0.181CC..EExtended strand (participates in β ladder)trans-117.9129.8178.3-178.90000110.2V139 T141 V150 V161 M178 H187 V188 F189V139-V163 HydrophobicContact CB-CG2 4.2Å; V139-V163 CarbonylContact O-C 3.58Å; V139-V163 WeakPolarHBondContact O-CA 3.38Å; T141-V163 HydrophobicContact CG2-CG1 4.15Å; V150-V163 HydrophobicContact CG2-CB 4.48Å; V150-V163 HydrophobicContact CG2-CG2 3.7Å; V161-V163 HydrophobicContact CG1-CG2 3.73Å; V163-M178 HydrophobicContact CG1-CG 4.44Å; V163-M178 HydrophobicContact CG1-SD 3.59Å; V163-M178 VanDerWaalsContact CG1-SD 3.59Å; V163-H187 PolarHBondContact N-O 2.66Å; V163-V188 CarbonylContact O-C 3.55Å; V163-V188 WeakPolarHBondContact O-CA 3.39Å; V163-F189 PolarHBondContact O-N 2.8Å
164V98.5Very high95.5Very high1 Ų130.8 Ų30.81%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-116.2122.9176.1-167.90000109.4L138 V139 T141 F189 A191 I198 L202 L463 L477L138-V164 HydrophobicContact CD1-CG2 4.47Å; V139-V164 PolarHBondContact O-N 3.38Å; T141-V164 PolarHBondContact N-O 2.87Å; V164-F189 WeakPolarHBondContact CA-O 3.22Å; V164-F189 HydrophobicContact CB-CB 4.48Å; V164-F189 HydrophobicContact CG1-CB 4.28Å; V164-F189 HydrophobicContact CG2-CB 4.16Å; V164-A191 HydrophobicContact CG1-CB 3.79Å; V164-I198 HydrophobicContact CB-CG2 3.74Å; V164-I198 HydrophobicContact CG1-CB 4.47Å; V164-I198 HydrophobicContact CG1-CD1 4.06Å; V164-I198 HydrophobicContact CG1-CG1 3.95Å; V164-I198 HydrophobicContact CG1-CG2 3.71Å; V164-L202 HydrophobicContact CG2-CD1 4.31Å; V164-L463 HydrophobicContact CG1-CD1 3.8Å; V164-L463 HydrophobicContact CG2-CD1 4.48Å; V164-L477 HydrophobicContact CG2-CD1 4.15Å; V164-L477 HydrophobicContact CG2-CD2 3.89Å
165F97.6Very high95.6Very high1 Ų129.1 Ų29.10%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-124.6151.1178.874.3-92.6000112.2T141 R167 I170 E175 M178 T179 V188 F189 A190 A191 I198T141-F165 HydrophobicContact CG2-CB 3.65Å; F165-R167 PolarHBondContact O-N 3.21Å; F165-I170 HydrophobicContact CB-CD1 4.14Å; F165-I170 HydrophobicContact CD2-CD1 3.47Å; F165-I170 VanDerWaalsContact CD2-CD1 3.47Å; F165-I170 HydrophobicContact CD2-CG1 4.16Å; F165-I170 HydrophobicContact CE2-CD1 4.08Å; F165-I170 HydrophobicContact CG-CD1 3.98Å; F165-E175 HydrophobicContact CE2-CG 3.82Å; F165-E175 HydrophobicContact CZ-CG 3.71Å; F165-M178 HydrophobicContact CB-CE 3.63Å; F165-M178 HydrophobicContact CB-SD 4.12Å; F165-M178 HydrophobicContact CD1-CE 3.77Å; F165-M178 HydrophobicContact CD1-SD 4.29Å; F165-M178 HydrophobicContact CD2-CE 4.25Å; F165-M178 HydrophobicContact CE1-CE 4.48Å; F165-M178 HydrophobicContact CG-CE 3.63Å; F165-M178 HydrophobicContact CG-SD 4.45Å; F165-T179 HydrophobicContact CE1-CG2 3.88Å; F165-T179 HydrophobicContact CZ-CG2 4.11Å; F165-V188 HydrophobicContact CD1-CG1 3.8Å; F165-V188 HydrophobicContact CE1-CG1 3.63Å; F165-F189 VanDerWaalsContact CD1-O 3.23Å; F165-F189 WeakPolarHBondContact CD1-O 3.35Å; F165-F189 PolarHBondContact N-O 3.2Å; F165-A190 HydrophobicContact CE1-CB 3.8Å; F165-A190 HydrophobicContact CE2-CB 3.91Å; F165-A190 HydrophobicContact CZ-CB 3.44Å; F165-A190 VanDerWaalsContact CZ-CB 3.44Å; F165-A191 PolarHBondContact O-N 2.81Å; F165-I198 VanDerWaalsContact C-CD1 3.46Å
166P96.3Very high95.9Very high3 Ų328.4 Ų28.42%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-79.6112.8-179.530.2-33.8000110.3T141 G168 R169 I170 A191 G193 I198T141-P166 WeakPolarHBondContact O-CD 3.44Å; P166-G168 PolarHBondContact O-N 3.42Å; P166-R169 HydrophobicContact CB-CB 4.07Å; P166-R169 HydrophobicContact CB-CG 4.38Å; P166-R169 HydrophobicContact CG-CB 4.08Å; P166-R169 PolarHBondContact O-N 3.24Å; P166-I170 HydrophobicContact CG-CG2 4.08Å; P166-A191 WeakPolarHBondContact CA-O 3.44Å; P166-G193 VanDerWaalsContact CB-O 3.24Å; P166-G193 WeakPolarHBondContact CB-O 3.47Å; P166-I198 HydrophobicContact CB-CD1 3.96Å; P166-I198 HydrophobicContact CG-CD1 4.31Å
167R95.2Very high96.1Very high91 Ų9127.6 Ų27.634%0.34316%0.162SC..THydrogen-bonded Turntrans-57.8130.1-178.2-173.9164.962.6164.14.1110.6F165 R169 A190 A191 D192 N462F165-R167 PolarHBondContact O-N 3.21Å; R167-R169 PolarHBondContact O-N 3.46Å; R167-A190 HydrophobicContact CB-CB 4.26Å; R167-A191 WeakPolarHBondContact CB-O 3.38Å; R167-A191 PolarHBondContact N-O 2.96Å; R167-D192 IonicContact CZ-OD1 2.65Å; R167-D192 IonicContact NE-OD1 3.67Å; R167-D192 PolarHBondContact NE-OD1 2.7Å; R167-D192 IonicContact NH2-OD1 3.83Å; R167-D192 PolarHBondContact NH2-OD1 2.98Å; R167-D192 IonicContact NH2-OD2 3.77Å; R167-D192 PolarHBondContact NH2-OD2 3.16Å; R167-N462 PolarHBondContact NH1-OD1 3.47Å; R167-N462 VanDerWaalsContact NH1-OD1 3.17Å
168G93.4Very high96.5Very high60 Ų6023.4 Ų23.462%0.61913%0.134SC*.THydrogen-bonded Turntrans72.74.5177.500000116.2P166P166-G168 PolarHBondContact O-N 3.42Å
169R93.8Very high96.6Very high86 Ų8622.9 Ų22.933%0.32513%0.129SC..SBendtrans-109.7-4.2179.2-63-162.7-179.7-143.20.6114.8P166 R167 G193P166-R169 HydrophobicContact CB-CB 4.07Å; P166-R169 HydrophobicContact CB-CG 4.38Å; P166-R169 HydrophobicContact CG-CB 4.08Å; P166-R169 PolarHBondContact O-N 3.24Å; R167-R169 PolarHBondContact O-N 3.46Å; R169-G193 WeakPolarHBondContact CD-O 3.35Å; R169-G193 PolarHBondContact NE-O 3.18Å
170I94.7Very high96.7Very high20 Ų2023.5 Ų23.510%0.10313%0.133CC..SBendtrans-114.4164.7177.466.1174.1000110.1S142 F165 P166 Q174 E175 M178S142-I170 VanDerWaalsContact O-CG2 3.31Å; S142-I170 WeakPolarHBondContact O-CG2 3.48Å; F165-I170 HydrophobicContact CB-CD1 4.14Å; F165-I170 HydrophobicContact CD2-CD1 3.47Å; F165-I170 VanDerWaalsContact CD2-CD1 3.47Å; F165-I170 HydrophobicContact CD2-CG1 4.16Å; F165-I170 HydrophobicContact CE2-CD1 4.08Å; F165-I170 HydrophobicContact CG-CD1 3.98Å; P166-I170 HydrophobicContact CG-CG2 4.08Å; I170-Q174 HydrophobicContact CB-CB 4.31Å; I170-Q174 HydrophobicContact CD1-CB 4.25Å; I170-E175 HydrophobicContact CD1-CB 3.81Å; I170-E175 HydrophobicContact CD1-CG 4.46Å; I170-E175 HydrophobicContact CG1-CB 4.17Å; I170-M178 HydrophobicContact CD1-CE 3.36Å
171T95.3Very high96.6Very high30 Ų3023.8 Ų23.818%0.18414%0.135CC..  trans-71.4153.9175.763.70000111.2V173 Q174 E175 K432 F433T171-V173 PolarHBondContact O-N 3.45Å; T171-Q174 PolarHBondContact O-N 3.41Å; T171-Q174 VanDerWaalsContact O-N 3.1Å; T171-Q174 WeakPolarHBondContact OG1-CB 3.4Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.34Å; T171-Q174 PolarHBondContact OG1-N 2.85Å; T171-Q174 PolarHBondContact OG1-OE1 3.37Å; T171-E175 PolarHBondContact O-N 3.08Å; T171-K432 WeakPolarHBondContact CB-O 3.29Å; T171-K432 WeakPolarHBondContact CG2-O 3.35Å; T171-K432 PolarHBondContact OG1-O 3.32Å; T171-F433 HydrophobicContact CG2-CD1 3.57Å; T171-F433 HydrophobicContact CG2-CE1 3.79Å
172A95.2Very high96.5Very high59 Ų5925.9 Ų25.949%0.48815%0.146SC..Hα-helixtrans-56-38.6174.700000112.6E175 K176A172-E175 PolarHBondContact O-N 3.39Å; A172-K176 WeakPolarHBondContact O-CB 3.47Å; A172-K176 VanDerWaalsContact O-CG 3.23Å; A172-K176 WeakPolarHBondContact O-CG 3.4Å; A172-K176 PolarHBondContact O-N 2.99Å
173V96.4Very high96.4Very high20 Ų2029.9 Ų29.912%0.12117%0.165CC..Hα-helixtrans-63-45176.2175.90000111.2T171 K176 H177 K432 V450 L453T171-V173 PolarHBondContact O-N 3.45Å; V173-K176 PolarHBondContact O-N 2.96Å; V173-H177 PolarHBondContact O-N 3.29Å; V173-H177 PolarHBondContact O-ND1 2.76Å; V173-K432 HydrophobicContact CG1-CB 4.33Å; V173-K432 HydrophobicContact CG1-CG 4.15Å; V173-V450 HydrophobicContact CB-CG1 4.48Å; V173-V450 HydrophobicContact CG1-CG1 4.02Å; V173-V450 HydrophobicContact CG2-CG1 3.58Å; V173-L453 HydrophobicContact CG1-CD1 4Å
174Q96.6Very high96.3Very high1 Ų131.3 Ų31.31%0.00517%0.172CC..Hα-helixtrans-63.1-44.9177.3-73.5165.7-4100111.8D144 I170 T171 H177 M178D144-Q174 PolarHBondContact OD1-NE2 2.85Å; I170-Q174 HydrophobicContact CB-CB 4.31Å; I170-Q174 HydrophobicContact CD1-CB 4.25Å; T171-Q174 PolarHBondContact O-N 3.41Å; T171-Q174 VanDerWaalsContact O-N 3.1Å; T171-Q174 WeakPolarHBondContact OG1-CB 3.4Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.34Å; T171-Q174 PolarHBondContact OG1-N 2.85Å; T171-Q174 PolarHBondContact OG1-OE1 3.37Å; Q174-H177 PolarHBondContact O-N 3.48Å; Q174-M178 WeakPolarHBondContact O-CE 3.32Å
175E97.3Very high96.2Very high51 Ų5131.7 Ų31.724%0.23818%0.175CC..Hα-helixtrans-57.9-50.5175.9-173175.7139.600111F165 I170 T171 A172 H177 M178 T179F165-E175 HydrophobicContact CE2-CG 3.82Å; F165-E175 HydrophobicContact CZ-CG 3.71Å; I170-E175 HydrophobicContact CD1-CB 3.81Å; I170-E175 HydrophobicContact CD1-CG 4.46Å; I170-E175 HydrophobicContact CG1-CB 4.17Å; T171-E175 PolarHBondContact O-N 3.08Å; A172-E175 PolarHBondContact O-N 3.39Å; E175-H177 VanDerWaalsContact C-N 3.33Å; E175-H177 PolarHBondContact O-N 3.1Å; E175-M178 WeakPolarHBondContact O-CA 3.41Å; E175-M178 WeakPolarHBondContact O-CB 3.39Å; E175-M178 PolarHBondContact O-N 3.28Å; E175-T179 HydrophobicContact CG-CG2 3.96Å; E175-T179 PolarHBondContact O-N 2.96Å; E175-T179 PolarHBondContact O-OG1 3.27Å
176K97.5Very high96.3Very high48 Ų4831.7 Ų31.721%0.20918%0.175CC..Hα-helixtrans-65.8-31.9-178.3-70.7176.4-174.9-171.80113A172 V173 M178 S180 L453 D454A172-K176 WeakPolarHBondContact O-CB 3.47Å; A172-K176 VanDerWaalsContact O-CG 3.23Å; A172-K176 WeakPolarHBondContact O-CG 3.4Å; A172-K176 PolarHBondContact O-N 2.99Å; V173-K176 PolarHBondContact O-N 2.96Å; K176-M178 PolarHBondContact O-N 3.45Å; K176-M178 VanDerWaalsContact O-N 3.12Å; K176-S180 VanDerWaalsContact O-CB 3.27Å; K176-S180 WeakPolarHBondContact O-CB 3.5Å; K176-S180 PolarHBondContact O-N 3.13Å; K176-S180 VanDerWaalsContact O-N 3.1Å; K176-S180 PolarHBondContact O-OG 3.46Å; K176-L453 HydrophobicContact CB-CB 3.97Å; K176-L453 HydrophobicContact CB-CD1 4.38Å; K176-L453 HydrophobicContact CB-CD2 4.39Å; K176-L453 HydrophobicContact CB-CG 4.48Å; K176-L453 HydrophobicContact CD-CB 4.05Å; K176-D454 IonicContact NZ-OD1 3.42Å; K176-D454 PolarHBondContact NZ-OD1 3.19Å
177H97.1Very high96.4Very high8 Ų831.6 Ų31.64%0.03717%0.174CC..Hα-helixtrans-57.8-26171.7-75.5156.9000113.2T109 R151 V173 Q174 E175T109-H177 PolarHBondContact O-CE1 3.42Å; T109-H177 VanDerWaalsContact O-CE1 3.23Å; R151-H177 PolarHBondContact NE-O 3.2Å; V173-H177 PolarHBondContact O-N 3.29Å; V173-H177 PolarHBondContact O-ND1 2.76Å; Q174-H177 PolarHBondContact O-N 3.48Å; E175-H177 VanDerWaalsContact C-N 3.33Å; E175-H177 PolarHBondContact O-N 3.1Å
178M97.6Very high96.5Very high0 Ų027.4 Ų27.40%016%0.159CC..Hα-helixtrans-92.4-55.7175.4-60.5177.4-72.400111.7T141 G147 V150 V163 F165 I170 Q174 E175 K176 S180 C181 V188T141-M178 HydrophobicContact CG2-CE 4.34Å; T141-M178 HydrophobicContact CG2-SD 3.75Å; G147-M178 VanDerWaalsContact N-CG 3.35Å; V150-M178 HydrophobicContact CG2-CB 4.43Å; V150-M178 HydrophobicContact CG2-CG 4.47Å; V163-M178 HydrophobicContact CG1-CG 4.44Å; V163-M178 HydrophobicContact CG1-SD 3.59Å; V163-M178 VanDerWaalsContact CG1-SD 3.59Å; F165-M178 HydrophobicContact CB-CE 3.63Å; F165-M178 HydrophobicContact CB-SD 4.12Å; F165-M178 HydrophobicContact CD1-CE 3.77Å; F165-M178 HydrophobicContact CD1-SD 4.29Å; F165-M178 HydrophobicContact CD2-CE 4.25Å; F165-M178 HydrophobicContact CE1-CE 4.48Å; F165-M178 HydrophobicContact CG-CE 3.63Å; F165-M178 HydrophobicContact CG-SD 4.45Å; I170-M178 HydrophobicContact CD1-CE 3.36Å; Q174-M178 WeakPolarHBondContact O-CE 3.32Å; E175-M178 WeakPolarHBondContact O-CA 3.41Å; E175-M178 WeakPolarHBondContact O-CB 3.39Å; E175-M178 PolarHBondContact O-N 3.28Å; K176-M178 PolarHBondContact O-N 3.45Å; K176-M178 VanDerWaalsContact O-N 3.12Å; M178-S180 PolarHBondContact O-N 3.5Å; M178-C181 PolarHBondContact O-N 2.7Å; M178-V188 HydrophobicContact CB-CG1 4.16Å; M178-V188 HydrophobicContact CB-CG2 4.48Å
179T97.9Very high96.8Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-75.5-21.9-166.760.70000113.7F165 E175 C181 V188 T458 R459 Y460F165-T179 HydrophobicContact CE1-CG2 3.88Å; F165-T179 HydrophobicContact CZ-CG2 4.11Å; E175-T179 HydrophobicContact CG-CG2 3.96Å; E175-T179 PolarHBondContact O-N 2.96Å; E175-T179 PolarHBondContact O-OG1 3.27Å; T179-C181 VanDerWaalsContact C-N 3.32Å; T179-V188 HydrophobicContact CG2-CG1 4.06Å; T179-T458 CarbonylContact O-C 3.34Å; T179-T458 VanDerWaalsContact O-CA 3.28Å; T179-T458 WeakPolarHBondContact O-CA 3.23Å; T179-T458 WeakPolarHBondContact OG1-CG2 3.2Å; T179-R459 PolarHBondContact O-N 3.11Å; T179-Y460 HydrophobicContact CG2-CD1 3.74Å; T179-Y460 HydrophobicContact CG2-CG 4.25Å
180S97.1Very high97Very high12 Ų1220.6 Ų20.68%0.08411%0.114CC..THydrogen-bonded Turntrans-83.3-3.617867.80000114.6R151 K176 M178 L182 P457R151-S180 PolarHBondContact NH2-OG 3.23Å; K176-S180 VanDerWaalsContact O-CB 3.27Å; K176-S180 WeakPolarHBondContact O-CB 3.5Å; K176-S180 PolarHBondContact O-N 3.13Å; K176-S180 VanDerWaalsContact O-N 3.1Å; K176-S180 PolarHBondContact O-OG 3.46Å; M178-S180 PolarHBondContact O-N 3.5Å; S180-L182 PolarHBondContact O-N 2.86Å; S180-P457 WeakPolarHBondContact CA-O 3.37Å
181C96.3Very high97.1Very high8 Ų819.6 Ų19.65%0.05411%0.109CC..  trans-87.3101.3173.6-1710000109.5V150 M178 T179 E183 V186V150-C181 HydrophobicContact CG1-CB 3.27Å; M178-C181 PolarHBondContact O-N 2.7Å; T179-C181 VanDerWaalsContact C-N 3.32Å; C181-E183 VanDerWaalsContact C-N 3.31Å; C181-E183 PolarHBondContact O-N 3.41Å; C181-V186 HydrophobicContact CB-CG1 4.31Å
182L96.3Very high97.2Very high45 Ų4520.2 Ų20.224%0.23611%0.112CC..  trans-88.97.3-176.8-57.9-169.1000114.1S180 P457 R459 N498S180-L182 PolarHBondContact O-N 2.86Å; L182-P457 HydrophobicContact CD1-CB 4.06Å; L182-P457 HydrophobicContact CD1-CG 3.6Å; L182-P457 HydrophobicContact CG-CG 4.49Å; L182-R459 HydrophobicContact CD2-CB 3.59Å; L182-R459 PolarHBondContact O-NH2 3.33Å; L182-N498 PolarHBondContact O-ND2 3.38Å
183E96.2Very high97.1Very high83 Ų8318.1 Ų18.139%0.38810%0.096SC..  trans-55.1144.7178-71.6-79.9-163.400112.1R154 S155 C181 N185 V186 R459R154-E183 HydrophobicContact CB-CG 4.2Å; S155-E183 PolarHBondContact OG-OE1 3.13Å; C181-E183 VanDerWaalsContact C-N 3.31Å; C181-E183 PolarHBondContact O-N 3.41Å; E183-N185 PolarHBondContact O-N 3.02Å; E183-V186 HydrophobicContact CB-CG2 4.14Å; E183-V186 PolarHBondContact O-N 3.15Å; E183-R459 PolarHBondContact O-NH2 2.73Å
184D96.2Very high96.9Very high30 Ų3017.6 Ų17.616%0.169%0.093CC..THydrogen-bonded Turntrans-66.6-25.3-169.6-17564.8000113V186 H187 R488 V493 C494 Y495D184-V186 VanDerWaalsContact C-N 3.3Å; D184-H187 PolarHBondContact O-CE1 3.04Å; D184-H187 VanDerWaalsContact O-CE1 3.31Å; D184-R488 PolarHBondContact O-NH2 2.91Å; D184-R488 VanDerWaalsContact O-NH2 3.13Å; D184-R488 IonicContact OD2-CZ 3.36Å; D184-R488 IonicContact OD2-NH1 2.82Å; D184-R488 PolarHBondContact OD2-NH1 3.36Å; D184-R488 IonicContact OD2-NH2 3.12Å; D184-R488 PolarHBondContact OD2-NH2 3Å; D184-V493 WeakPolarHBondContact OD2-CA 3.42Å; D184-C494 WeakPolarHBondContact OD1-CA 3.42Å; D184-C494 PolarHBondContact OD1-N 3.44Å; D184-C494 PolarHBondContact OD2-N 3.34Å; D184-Y495 WeakPolarHBondContact OD1-CD2 3.46Å; D184-Y495 PolarHBondContact OD1-N 3.16Å
185N97.2Very high96.7Very high10 Ų1018.1 Ų18.15%0.05310%0.097CC..THydrogen-bonded Turntrans-87.56.7177.878-43.1000113.9A153 S155 L156 L159 V161 E183A153-N185 PolarHBondContact O-ND2 3.23Å; S155-N185 PolarHBondContact N-OD1 2.95Å; S155-N185 VanDerWaalsContact N-OD1 3.11Å; L156-N185 PolarHBondContact O-ND2 3.31Å; L159-N185 WeakPolarHBondContact O-CB 3.38Å; L159-N185 PolarHBondContact O-ND2 2.96Å; V161-N185 PolarHBondContact N-O 3.36Å; E183-N185 PolarHBondContact O-N 3.02Å
186V98Very high96.4Very high1 Ų116.3 Ų16.31%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-112.8120-178.7176.30000110.8V150 C181 E183 D184 V188 R459V150-V186 HydrophobicContact CB-CG1 4.47Å; V150-V186 HydrophobicContact CG1-CG1 3.84Å; V150-V186 HydrophobicContact CG1-CG2 4.26Å; V150-V186 HydrophobicContact CG2-CG1 3.91Å; C181-V186 HydrophobicContact CB-CG1 4.31Å; E183-V186 HydrophobicContact CB-CG2 4.14Å; E183-V186 PolarHBondContact O-N 3.15Å; D184-V186 VanDerWaalsContact C-N 3.3Å; V186-V188 HydrophobicContact CG1-CG2 3.9Å; V186-R459 PolarHBondContact O-NH2 2.83Å
187H98.1Very high96.3Very high0 Ų015.3 Ų15.30%09%0.086CC..EExtended strand (participates in β ladder)trans-124.2114.7-176.9-47-70000109.6D160 V161 L162 V163 D184 F189 W480 Y495D160-H187 IonicContact OD1-NE2 2.74Å; V161-H187 PolarHBondContact O-N 3.23Å; L162-H187 CarbonylContact C-O 3.58Å; L162-H187 VanDerWaalsContact CA-O 3.29Å; L162-H187 WeakPolarHBondContact CA-O 3.36Å; L162-H187 HydrophobicContact CD1-CB 4.45Å; L162-H187 HydrophobicContact CG-CB 4.07Å; V163-H187 PolarHBondContact N-O 2.66Å; D184-H187 PolarHBondContact O-CE1 3.04Å; D184-H187 VanDerWaalsContact O-CE1 3.31Å; H187-F189 HydrophobicContact CB-CE2 4.2Å; H187-W480 AromaticContact CD2-NE1 3.88Å; H187-W480 AromaticContact CE1-NE1 3.95Å; H187-W480 AromaticContact CG-NE1 3.2Å; H187-W480 AromaticContact ND1-CE2 3.82Å; H187-W480 AromaticContact ND1-CZ2 3.76Å; H187-W480 AromaticContact ND1-NE1 3.26Å; H187-W480 PolarHBondContact ND1-NE1 3.08Å; H187-Y495 AromaticContact CE1-CE2 3.61Å; H187-Y495 AromaticContact ND1-CE2 3.33Å; H187-Y495 VanDerWaalsContact ND1-CE2 3.33Å; H187-Y495 WeakPolarHBondContact ND1-CE2 3.49Å; H187-Y495 AromaticContact ND1-CZ 3.49Å; H187-Y495 PolarHBondContact ND1-OH 2.88Å
188V98.5Very high96.2Very high4 Ų415 Ų152%0.0248%0.084CC..EExtended strand (participates in β ladder)trans-114.9135.9-173.8-169.70000110.8V163 F165 M178 T179 V186 Y460 Q461V163-V188 CarbonylContact O-C 3.55Å; V163-V188 WeakPolarHBondContact O-CA 3.39Å; F165-V188 HydrophobicContact CD1-CG1 3.8Å; F165-V188 HydrophobicContact CE1-CG1 3.63Å; M178-V188 HydrophobicContact CB-CG1 4.16Å; M178-V188 HydrophobicContact CB-CG2 4.48Å; T179-V188 HydrophobicContact CG2-CG1 4.06Å; V186-V188 HydrophobicContact CG1-CG2 3.9Å; V188-Y460 CarbonylContact O-C 3.55Å; V188-Y460 WeakPolarHBondContact O-CA 3.38Å; V188-Y460 WeakPolarHBondContact O-CB 3.25Å; V188-Q461 PolarHBondContact O-N 3.44Å
189F98.6Very high95.9Very high2 Ų215.6 Ų15.61%0.0099%0.087CC..EExtended strand (participates in β ladder)trans-125.7131.9178.9-63.2-95.2000110.5L162 V163 V164 F165 H187 Q461 L463 L477 W480L162-F189 HydrophobicContact CD2-CE2 4.33Å; L162-F189 HydrophobicContact CG-CE2 4.28Å; V163-F189 PolarHBondContact O-N 2.8Å; V164-F189 WeakPolarHBondContact CA-O 3.22Å; V164-F189 HydrophobicContact CB-CB 4.48Å; V164-F189 HydrophobicContact CG1-CB 4.28Å; V164-F189 HydrophobicContact CG2-CB 4.16Å; F165-F189 VanDerWaalsContact CD1-O 3.23Å; F165-F189 WeakPolarHBondContact CD1-O 3.35Å; F165-F189 PolarHBondContact N-O 3.2Å; H187-F189 HydrophobicContact CB-CE2 4.2Å; F189-Q461 CarbonylContact C-O 3.49Å; F189-Q461 VanDerWaalsContact CA-O 3.24Å; F189-Q461 WeakPolarHBondContact CA-O 3.48Å; F189-Q461 HydrophobicContact CD1-CB 3.72Å; F189-Q461 HydrophobicContact CE1-CB 3.83Å; F189-Q461 HydrophobicContact CE1-CG 4.38Å; F189-L463 HydrophobicContact CB-CD1 3.94Å; F189-L463 HydrophobicContact CB-CG 4.12Å; F189-L463 HydrophobicContact CD1-CD1 4.35Å; F189-L463 HydrophobicContact CD1-CD2 4.03Å; F189-L463 HydrophobicContact CD1-CG 4.07Å; F189-L463 HydrophobicContact CG-CD1 4.39Å; F189-L463 HydrophobicContact CG-CG 4.49Å; F189-L477 HydrophobicContact CD1-CD2 4.32Å; F189-L477 HydrophobicContact CD2-CD2 3.98Å; F189-L477 HydrophobicContact CE1-CD2 4.4Å; F189-L477 HydrophobicContact CE2-CD2 4.08Å; F189-L477 HydrophobicContact CG-CD2 4.12Å; F189-L477 HydrophobicContact CZ-CD2 4.29Å; F189-W480 HydrophobicContact CE2-CG 4.31Å; F189-W480 HydrophobicContact CZ-CB 4.03Å; F189-W480 AromaticContact CZ-CD1 3.84Å; F189-W480 AromaticContact CZ-CD2 3.94Å; F189-W480 HydrophobicContact CZ-CD2 3.94Å; F189-W480 AromaticContact CZ-CG 3.63Å; F189-W480 HydrophobicContact CZ-CG 3.63Å
190A98.3Very high95.7Very high0 Ų019.2 Ų19.20%010%0.104CC..EExtended strand (participates in β ladder)trans-104.1115174.300000108.8F165 R167 Y460 Q461 N462 L463F165-A190 HydrophobicContact CE1-CB 3.8Å; F165-A190 HydrophobicContact CE2-CB 3.91Å; F165-A190 HydrophobicContact CZ-CB 3.44Å; F165-A190 VanDerWaalsContact CZ-CB 3.44Å; R167-A190 HydrophobicContact CB-CB 4.26Å; A190-Y460 HydrophobicContact CB-CD2 3.51Å; A190-Y460 HydrophobicContact CB-CE2 3.76Å; A190-Y460 HydrophobicContact CB-CG 4.37Å; A190-Q461 PolarHBondContact N-O 2.78Å; A190-N462 CarbonylContact O-C 3.6Å; A190-N462 WeakPolarHBondContact O-CA 3.31Å; A190-L463 PolarHBondContact O-N 3.45Å
191A97.9Very high95.6Very high0 Ų018.7 Ų18.70%010%0.101CC..EExtended strand (participates in β ladder)trans-107.9146.7-174.100000112.8V164 F165 P166 R167 G193 I198 L463 W473V164-A191 HydrophobicContact CG1-CB 3.79Å; F165-A191 PolarHBondContact O-N 2.81Å; P166-A191 WeakPolarHBondContact CA-O 3.44Å; R167-A191 WeakPolarHBondContact CB-O 3.38Å; R167-A191 PolarHBondContact N-O 2.96Å; A191-G193 PolarHBondContact O-N 3.06Å; A191-I198 HydrophobicContact CB-CD1 4.13Å; A191-I198 HydrophobicContact CB-CG1 3.92Å; A191-L463 WeakPolarHBondContact CA-O 3.15Å; A191-L463 HydrophobicContact CB-CB 3.86Å; A191-L463 HydrophobicContact CB-CD1 4.22Å; A191-W473 HydrophobicContact CB-CE3 4.29Å; A191-W473 HydrophobicContact CB-CH2 3.76Å; A191-W473 HydrophobicContact CB-CZ2 4.09Å; A191-W473 HydrophobicContact CB-CZ3 3.88Å
192D96.5Very high95.5Very high43 Ų4318.7 Ų18.723%0.2310%0.1CC..SBendtrans-83.3102.2176.4-76.1-24.2000112.7R167 L463 E464 R465 W473R167-D192 IonicContact CZ-OD1 2.65Å; R167-D192 IonicContact NE-OD1 3.67Å; R167-D192 PolarHBondContact NE-OD1 2.7Å; R167-D192 IonicContact NH2-OD1 3.83Å; R167-D192 PolarHBondContact NH2-OD1 2.98Å; R167-D192 IonicContact NH2-OD2 3.77Å; R167-D192 PolarHBondContact NH2-OD2 3.16Å; D192-L463 PolarHBondContact N-O 3.47Å; D192-E464 WeakPolarHBondContact OD2-CA 3.21Å; D192-R465 HydrophobicContact CB-CB 3.77Å; D192-R465 WeakPolarHBondContact O-CD 3.42Å; D192-R465 PolarHBondContact O-NH1 3.19Å; D192-R465 PolarHBondContact OD2-N 2.98Å; D192-W473 HydrophobicContact CB-CZ2 4.29Å; D192-W473 WeakPolarHBondContact O-CH2 3.28Å; D192-W473 VanDerWaalsContact O-CZ2 3.24Å; D192-W473 WeakPolarHBondContact O-CZ2 3.35Å
193G93.1Very high95.3Very high15 Ų1519 Ų1916%0.15510%0.098CC..SBendtrans152.6-151.5175.500000111.6P166 R169 A191P166-G193 VanDerWaalsContact CB-O 3.24Å; P166-G193 WeakPolarHBondContact CB-O 3.47Å; R169-G193 WeakPolarHBondContact CD-O 3.35Å; R169-G193 PolarHBondContact NE-O 3.18Å; A191-G193 PolarHBondContact O-N 3.06Å
194S93.2Very high95.1Very high8 Ų820.6 Ų20.66%0.05610%0.1CC..  trans-99.5172.4175.568.90000112.3D196 D197 I198S194-D196 PolarHBondContact O-N 3.35Å; S194-D196 PolarHBondContact OG-N 2.77Å; S194-D197 WeakPolarHBondContact CB-OD2 3.44Å; S194-D197 PolarHBondContact N-OD2 2.96Å; S194-D197 WeakPolarHBondContact O-CB 3.19Å; S194-D197 PolarHBondContact O-N 3.23Å; S194-D197 PolarHBondContact OG-N 3.26Å; S194-D197 PolarHBondContact OG-OD2 2.99Å; S194-I198 PolarHBondContact O-N 3.41Å
195S91.3Very high95.1Very high13 Ų1319.2 Ų19.29%0.0919%0.093CC..Hα-helixtrans-60.5-34.4170.7-168.30000111.7D197 I198 D199S195-D197 VanDerWaalsContact C-N 3.33Å; S195-I198 WeakPolarHBondContact O-CB 3.49Å; S195-I198 PolarHBondContact O-N 3.04Å; S195-D199 PolarHBondContact O-N 3.16Å; S195-D199 VanDerWaalsContact O-N 3.1Å
196D91.8Very high94.9Very high12 Ų1219.2 Ų19.26%0.0649%0.092CC..Hα-helixtrans-71-30.6179.7-62.3-0.2000111.5S194 M313 V317 Q328 D329S194-D196 PolarHBondContact O-N 3.35Å; S194-D196 PolarHBondContact OG-N 2.77Å; D196-M313 HydrophobicContact CB-CE 4.41Å; D196-V317 HydrophobicContact CB-CG2 4.44Å; D196-Q328 VanDerWaalsContact OD2-CA 3.31Å; D196-Q328 WeakPolarHBondContact OD2-CA 3.29Å; D196-Q328 VanDerWaalsContact OD2-CB 3.22Å; D196-Q328 WeakPolarHBondContact OD2-CB 3.23Å; D196-Q328 PolarHBondContact OD2-N 3.2Å; D196-D329 PolarHBondContact OD2-N 3.38Å
197D94.7Very high94.5Very high28 Ų2822.6 Ų22.615%0.1512%0.121CC..Hα-helixtrans-65.5-43170.5-66.6-84.1000111.2S194 S195 D199 Q200 P201 R465 W469 W473S194-D197 WeakPolarHBondContact CB-OD2 3.44Å; S194-D197 PolarHBondContact N-OD2 2.96Å; S194-D197 WeakPolarHBondContact O-CB 3.19Å; S194-D197 PolarHBondContact O-N 3.23Å; S194-D197 PolarHBondContact OG-N 3.26Å; S194-D197 PolarHBondContact OG-OD2 2.99Å; S195-D197 VanDerWaalsContact C-N 3.33Å; D197-D199 VanDerWaalsContact C-N 3.3Å; D197-D199 PolarHBondContact O-N 3.32Å; D197-Q200 PolarHBondContact O-N 2.85Å; D197-P201 WeakPolarHBondContact O-CD 3.24Å; D197-R465 VanDerWaalsContact CG-NH1 3.26Å; D197-R465 IonicContact OD1-CZ 3.39Å; D197-R465 IonicContact OD1-NH1 2.7Å; D197-R465 PolarHBondContact OD1-NH1 2.91Å; D197-R465 IonicContact OD1-NH2 3.13Å; D197-R465 PolarHBondContact OD1-NH2 3.33Å; D197-R465 IonicContact OD2-NH1 2.6Å; D197-W469 HydrophobicContact CB-CH2 4.04Å; D197-W469 HydrophobicContact CB-CZ3 4.12Å; D197-W469 WeakPolarHBondContact O-CZ3 3.32Å; D197-W473 HydrophobicContact CB-CZ3 4.31Å
198I95.4Very high94.4Very high0 Ų024.9 Ų24.90%013%0.133CC..Hα-helixtrans-62.3-37.5179.3-69.8163.4000111.5V164 F165 P166 A191 S194 S195 Q200 P201 L202 W473V164-I198 HydrophobicContact CB-CG2 3.74Å; V164-I198 HydrophobicContact CG1-CB 4.47Å; V164-I198 HydrophobicContact CG1-CD1 4.06Å; V164-I198 HydrophobicContact CG1-CG1 3.95Å; V164-I198 HydrophobicContact CG1-CG2 3.71Å; F165-I198 VanDerWaalsContact C-CD1 3.46Å; P166-I198 HydrophobicContact CB-CD1 3.96Å; P166-I198 HydrophobicContact CG-CD1 4.31Å; A191-I198 HydrophobicContact CB-CD1 4.13Å; A191-I198 HydrophobicContact CB-CG1 3.92Å; S194-I198 PolarHBondContact O-N 3.41Å; S195-I198 WeakPolarHBondContact O-CB 3.49Å; S195-I198 PolarHBondContact O-N 3.04Å; I198-Q200 PolarHBondContact O-N 2.82Å; I198-P201 VanDerWaalsContact O-CD 3.27Å; I198-P201 WeakPolarHBondContact O-CD 3.43Å; I198-P201 WeakPolarHBondContact O-CG 3.41Å; I198-L202 HydrophobicContact CG2-CD1 4.29Å; I198-L202 HydrophobicContact CG2-CD2 4.08Å; I198-L202 WeakPolarHBondContact O-CD1 3.5Å; I198-W473 HydrophobicContact CG1-CZ3 4.19Å
199D92.1Very high94Very high14 Ų1427.3 Ų27.38%0.07514%0.144CC..Hα-helixtrans-65.8-23.5-178.6-78.3-16.8000112.9S195 D197 R203S195-D199 PolarHBondContact O-N 3.16Å; S195-D199 VanDerWaalsContact O-N 3.1Å; D197-D199 VanDerWaalsContact C-N 3.3Å; D197-D199 PolarHBondContact O-N 3.32Å; D199-R203 WeakPolarHBondContact O-CB 3.17Å; D199-R203 WeakPolarHBondContact O-CG 3.41Å; D199-R203 PolarHBondContact O-N 3.49Å
200Q93Very high93.9Very high76 Ų7632.7 Ų32.736%0.35517%0.173SC..Hα-helixtrans-63.8-59.3-179.4-64.7-177.143.700113.9D197 I198 L202 R203 R204 W469D197-Q200 PolarHBondContact O-N 2.85Å; I198-Q200 PolarHBondContact O-N 2.82Å; Q200-L202 VanDerWaalsContact C-N 3.27Å; Q200-L202 PolarHBondContact O-N 3.03Å; Q200-R203 PolarHBondContact O-N 2.87Å; Q200-R204 PolarHBondContact O-N 2.69Å; Q200-W469 HydrophobicContact CB-CH2 4.22Å; Q200-W469 HydrophobicContact CG-CH2 4.4Å
201P95.3Very high93.7Very high1 Ų132.9 Ų32.91%0.00617%0.174CC..Hα-helixtrans-63.1-35.2176.523.3-32.7000112.1D197 I198 R203 R204 L205 W473 E474D197-P201 WeakPolarHBondContact O-CD 3.24Å; I198-P201 VanDerWaalsContact O-CD 3.27Å; I198-P201 WeakPolarHBondContact O-CD 3.43Å; I198-P201 WeakPolarHBondContact O-CG 3.41Å; P201-R203 PolarHBondContact O-N 3.27Å; P201-R204 WeakPolarHBondContact O-CB 3.41Å; P201-R204 PolarHBondContact O-N 3.16Å; P201-R204 VanDerWaalsContact O-N 3.12Å; P201-L205 WeakPolarHBondContact O-CG 3.29Å; P201-L205 PolarHBondContact O-N 3.25Å; P201-W473 HydrophobicContact CB-CB 4.37Å; P201-W473 HydrophobicContact CG-CB 4.2Å; P201-W473 HydrophobicContact CG-CE3 4.09Å; P201-E474 HydrophobicContact CB-CB 3.96Å
202L94.1Very high93.5Very high7 Ų734.4 Ų34.44%0.03718%0.183CC..Hα-helixtrans-57.8-46.6175.5-9556000111.8L138 G140 V164 I198 Q200 R204 L205 F206 L477L138-L202 HydrophobicContact CD1-CD1 4.3Å; L138-L202 HydrophobicContact CD1-CG 4.41Å; L138-L202 HydrophobicContact CD2-CB 4.39Å; L138-L202 HydrophobicContact CD2-CD1 3.95Å; L138-L202 HydrophobicContact CD2-CG 3.59Å; L138-L202 HydrophobicContact CG-CD1 4.17Å; L138-L202 HydrophobicContact CG-CD2 4.19Å; L138-L202 HydrophobicContact CG-CG 3.76Å; G140-L202 VanDerWaalsContact CA-CD2 3.5Å; G140-L202 VanDerWaalsContact N-CD2 3.27Å; V164-L202 HydrophobicContact CG2-CD1 4.31Å; I198-L202 HydrophobicContact CG2-CD1 4.29Å; I198-L202 HydrophobicContact CG2-CD2 4.08Å; I198-L202 WeakPolarHBondContact O-CD1 3.5Å; Q200-L202 VanDerWaalsContact C-N 3.27Å; Q200-L202 PolarHBondContact O-N 3.03Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 2.95Å; L202-L205 PolarHBondContact O-N 2.77Å; L202-F206 WeakPolarHBondContact O-CD2 3.21Å; L202-F206 PolarHBondContact O-N 2.9Å; L202-F206 VanDerWaalsContact O-N 3.1Å; L202-L477 HydrophobicContact CD1-CD1 3.71Å
203R90.8Very high93.4Very high52 Ų5241.7 Ų41.720%0.19621%0.207CC..Hα-helixtrans-61.1-38.5175.4-74.4169.5-172.5-82.812.6112F23 D199 Q200 P201 F206 A207 D329F23-R203 HydrophobicContact CE2-CG 3.77Å; F23-R203 HydrophobicContact CZ-CG 3.94Å; D199-R203 WeakPolarHBondContact O-CB 3.17Å; D199-R203 WeakPolarHBondContact O-CG 3.41Å; D199-R203 PolarHBondContact O-N 3.49Å; Q200-R203 PolarHBondContact O-N 2.87Å; P201-R203 PolarHBondContact O-N 3.27Å; R203-F206 PolarHBondContact O-N 3.4Å; R203-A207 PolarHBondContact O-N 3Å; R203-D329 IonicContact CZ-OD2 3.13Å; R203-D329 IonicContact NE-OD2 3.03Å; R203-D329 IonicContact NH2-OD1 2.75Å; R203-D329 IonicContact NH2-OD2 2.73Å; R203-D329 PolarHBondContact NH2-OD2 3.22Å
204R93.8Very high93.5Very high117 Ų11744.2 Ų44.244%0.44222%0.22SC..Hα-helixtrans-65.6-40.5176.7-66-179-177.4-175.82.1112.3Q200 P201 L202 F206 A207 D208 E474Q200-R204 PolarHBondContact O-N 2.69Å; P201-R204 WeakPolarHBondContact O-CB 3.41Å; P201-R204 PolarHBondContact O-N 3.16Å; P201-R204 VanDerWaalsContact O-N 3.12Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 2.95Å; R204-F206 VanDerWaalsContact C-N 3.33Å; R204-F206 PolarHBondContact O-N 3.49Å; R204-A207 WeakPolarHBondContact O-CB 3.45Å; R204-A207 PolarHBondContact O-N 3.06Å; R204-A207 VanDerWaalsContact O-N 3.16Å; R204-D208 PolarHBondContact O-N 3.47Å; R204-E474 HydrophobicContact CB-CG 4.36Å; R204-E474 VanDerWaalsContact CB-OE2 3.29Å; R204-E474 WeakPolarHBondContact CB-OE2 3.19Å; R204-E474 WeakPolarHBondContact CD-OE2 3.49Å; R204-E474 IonicContact NH1-OE2 3.65Å
205L95Very high93.6Very high0 Ų045 Ų450%022%0.223CC..Hα-helixtrans-60.7-41.2173.6-67.4167.7000111.9L138 P201 L202 D208 L211 L217 E474 L477 R478 I481L138-L205 HydrophobicContact CD2-CB 4.36Å; L138-L205 HydrophobicContact CD2-CD1 3.57Å; P201-L205 WeakPolarHBondContact O-CG 3.29Å; P201-L205 PolarHBondContact O-N 3.25Å; L202-L205 PolarHBondContact O-N 2.77Å; L205-D208 PolarHBondContact O-N 3.1Å; L205-L211 HydrophobicContact CB-CD2 4.2Å; L205-L211 HydrophobicContact CD2-CD2 3.69Å; L205-L217 HydrophobicContact CB-CD2 4.37Å; L205-E474 HydrophobicContact CD2-CG 3.74Å; L205-E474 HydrophobicContact CG-CG 3.94Å; L205-L477 HydrophobicContact CD1-CB 3.79Å; L205-L477 HydrophobicContact CD1-CD1 4.13Å; L205-R478 HydrophobicContact CD2-CB 3.89Å; L205-I481 HydrophobicContact CD1-CD1 4.42Å
206F92.7Very high93.8Very high10 Ų1047.2 Ų47.24%0.04424%0.238CC..Hα-helixtrans-72.4-25.3175.4-76.7-64.7000113.9F23 L138 L202 R203 R204 D208 Q209 V212 L217 M218F23-F206 HydrophobicContact CD2-CB 4.06Å; F23-F206 HydrophobicContact CD2-CD2 4.02Å; F23-F206 HydrophobicContact CD2-CG 4.17Å; F23-F206 HydrophobicContact CE2-CD2 4.33Å; L138-F206 HydrophobicContact CB-CE2 4.36Å; L138-F206 HydrophobicContact CB-CZ 4.13Å; L138-F206 HydrophobicContact CD2-CE2 4.33Å; L202-F206 WeakPolarHBondContact O-CD2 3.21Å; L202-F206 PolarHBondContact O-N 2.9Å; L202-F206 VanDerWaalsContact O-N 3.1Å; R203-F206 PolarHBondContact O-N 3.4Å; R204-F206 VanDerWaalsContact C-N 3.33Å; R204-F206 PolarHBondContact O-N 3.49Å; F206-D208 VanDerWaalsContact C-N 3.27Å; F206-Q209 PolarHBondContact O-NE2 3.28Å; F206-V212 HydrophobicContact CD1-CG2 4.24Å; F206-L217 HydrophobicContact CD1-CD2 4.17Å; F206-L217 HydrophobicContact CD1-CG 4.41Å; F206-L217 HydrophobicContact CE1-CD2 4.01Å; F206-L217 HydrophobicContact CE1-CG 3.82Å; F206-L217 HydrophobicContact CZ-CD2 4.46Å; F206-L217 HydrophobicContact CZ-CG 4.28Å; F206-M218 WeakPolarHBondContact CZ-O 3.43Å
207A91.3Very high94Very high73 Ų7346.7 Ų46.760%0.60324%0.235SC*.Hα-helixtrans-70-26.5174.500000112R203 R204 Q209R203-A207 PolarHBondContact O-N 3Å; R204-A207 WeakPolarHBondContact O-CB 3.45Å; R204-A207 PolarHBondContact O-N 3.06Å; R204-A207 VanDerWaalsContact O-N 3.16Å; A207-Q209 PolarHBondContact O-N 3.22Å
208D94.3Very high94Very high47 Ų4745.4 Ų45.425%0.25123%0.228SC..  trans-75.291.1173.1-173.9-16.4000111.6R204 L205 F206 N210 L211 V212 R478R204-D208 PolarHBondContact O-N 3.47Å; L205-D208 PolarHBondContact O-N 3.1Å; F206-D208 VanDerWaalsContact C-N 3.27Å; D208-N210 PolarHBondContact O-N 3.42Å; D208-N210 WeakPolarHBondContact OD1-CA 3.44Å; D208-N210 WeakPolarHBondContact OD1-CB 3.42Å; D208-N210 PolarHBondContact OD1-N 2.96Å; D208-L211 HydrophobicContact CB-CB 3.91Å; D208-L211 PolarHBondContact O-N 2.79Å; D208-L211 VanDerWaalsContact O-N 3.16Å; D208-L211 PolarHBondContact OD1-N 3.01Å; D208-V212 WeakPolarHBondContact O-CG2 3.28Å; D208-V212 PolarHBondContact O-N 2.83Å; D208-R478 IonicContact OD2-CZ 2.67Å; D208-R478 IonicContact OD2-NH1 3.96Å; D208-R478 PolarHBondContact OD2-NH1 3.35Å; D208-R478 IonicContact OD2-NH2 3.99Å; D208-R478 PolarHBondContact OD2-NH2 2.98Å
209Q91.4Very high94Very high55 Ų5545.5 Ų45.526%0.25723%0.229SC..Hα-helixtrans-62.7-22.9179.8-61.7-57.2-64.400113.5F206 A207 R213F206-Q209 PolarHBondContact O-NE2 3.28Å; A207-Q209 PolarHBondContact O-N 3.22Å; Q209-R213 WeakPolarHBondContact O-CB 3.46Å; Q209-R213 WeakPolarHBondContact O-CD 3.31Å; Q209-R213 VanDerWaalsContact O-CG 3.24Å; Q209-R213 WeakPolarHBondContact O-CG 3.33Å; Q209-R213 PolarHBondContact O-N 3.4Å; Q209-R213 VanDerWaalsContact O-N 3.15Å
210N95.3Very high94.1Very high116 Ų11644.9 Ų44.962%0.6223%0.225SC*.Hα-helixtrans-74.6-44.3175.7-175.447.9000110.6D208 T214D208-N210 PolarHBondContact O-N 3.42Å; D208-N210 WeakPolarHBondContact OD1-CA 3.44Å; D208-N210 WeakPolarHBondContact OD1-CB 3.42Å; D208-N210 PolarHBondContact OD1-N 2.96Å; N210-T214 WeakPolarHBondContact O-CB 3.48Å; N210-T214 PolarHBondContact O-N 3.34Å; N210-T214 PolarHBondContact O-OG1 3.26Å
211L95Very high94.1Very high4 Ų441.7 Ų41.72%0.02121%0.211CC..Hα-helixtrans-59.3-48.3173-17277.9000110.8L205 D208 R213 T214 H215 L217 R478 I481L205-L211 HydrophobicContact CB-CD2 4.2Å; L205-L211 HydrophobicContact CD2-CD2 3.69Å; D208-L211 HydrophobicContact CB-CB 3.91Å; D208-L211 PolarHBondContact O-N 2.79Å; D208-L211 VanDerWaalsContact O-N 3.16Å; D208-L211 PolarHBondContact OD1-N 3.01Å; L211-R213 PolarHBondContact O-N 3.22Å; L211-T214 PolarHBondContact O-N 3.22Å; L211-H215 PolarHBondContact O-CD2 3.39Å; L211-H215 PolarHBondContact O-N 2.97Å; L211-L217 HydrophobicContact CD2-CD2 4.1Å; L211-R478 HydrophobicContact CD1-CG 4.12Å; L211-I481 HydrophobicContact CD2-CD1 4.45Å
212V94.1Very high93.7Very high31 Ų3142.5 Ų42.519%0.18822%0.216CC..Hα-helixtrans-56-50.3-179.8170.20000111.7F206 D208 S216 L217F206-V212 HydrophobicContact CD1-CG2 4.24Å; D208-V212 WeakPolarHBondContact O-CG2 3.28Å; D208-V212 PolarHBondContact O-N 2.83Å; V212-S216 VanDerWaalsContact O-CA 3.26Å; V212-S216 WeakPolarHBondContact O-CA 3.24Å; V212-S216 PolarHBondContact O-N 3.43Å; V212-L217 HydrophobicContact CB-CB 4.48Å; V212-L217 HydrophobicContact CG2-CB 4.31Å; V212-L217 HydrophobicContact CG2-CD2 4.34Å; V212-L217 PolarHBondContact O-N 3.17Å
213R93.7Very high93.6Very high196 Ų19642.3 Ų42.374%0.7422%0.216SC*.Hα-helixtrans-69-41.5-179.7-69.3173-173.9-178.52.6112.7Q209 L211 H215Q209-R213 WeakPolarHBondContact O-CB 3.46Å; Q209-R213 WeakPolarHBondContact O-CD 3.31Å; Q209-R213 VanDerWaalsContact O-CG 3.24Å; Q209-R213 WeakPolarHBondContact O-CG 3.33Å; Q209-R213 PolarHBondContact O-N 3.4Å; Q209-R213 VanDerWaalsContact O-N 3.15Å; L211-R213 PolarHBondContact O-N 3.22Å; R213-H215 VanDerWaalsContact C-N 3.31Å; R213-H215 PolarHBondContact O-N 2.98Å
214T95.2Very high93.9Very high68 Ų6839.8 Ų39.842%0.41721%0.206SC..Hα-helixtrans-67.4-33.9-175.2-60.70000112.4N210 L211N210-T214 WeakPolarHBondContact O-CB 3.48Å; N210-T214 PolarHBondContact O-N 3.34Å; N210-T214 PolarHBondContact O-OG1 3.26Å; L211-T214 PolarHBondContact O-N 3.22Å
215H95.2Very high94Very high26 Ų2634.2 Ų34.212%0.1219%0.185CC..Hα-helixtrans-112.14.1-174-61-74.3000113.8L211 R213 L217 I481 S485L211-H215 PolarHBondContact O-CD2 3.39Å; L211-H215 PolarHBondContact O-N 2.97Å; R213-H215 VanDerWaalsContact C-N 3.31Å; R213-H215 PolarHBondContact O-N 2.98Å; H215-L217 PolarHBondContact O-N 3.13Å; H215-I481 HydrophobicContact CB-CG2 3.75Å; H215-S485 WeakPolarHBondContact ND1-CB 3.24Å; H215-S485 PolarHBondContact ND1-OG 3.48Å
216S95.3Very high94.2Very high58 Ų5834.2 Ų34.241%0.40619%0.185SC..THydrogen-bonded Turntrans47.848.7-172.1-57.70000110.9R134 V136 V212R134-S216 WeakPolarHBondContact O-CB 3.34Å; V136-S216 PolarHBondContact N-O 2.98Å; V212-S216 VanDerWaalsContact O-CA 3.26Å; V212-S216 WeakPolarHBondContact O-CA 3.24Å; V212-S216 PolarHBondContact O-N 3.43Å
217L95.8Very high94.4Very high2 Ų233.9 Ų33.91%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-72129.6-175.6-169.669000109.5V136 L138 L205 F206 L211 V212 H215 I481V136-L217 HydrophobicContact CB-CD1 4.21Å; V136-L217 HydrophobicContact CG1-CD1 4.06Å; V136-L217 CarbonylContact O-C 3.52Å; V136-L217 WeakPolarHBondContact O-CA 3.29Å; L138-L217 HydrophobicContact CB-CD1 4.23Å; L205-L217 HydrophobicContact CB-CD2 4.37Å; F206-L217 HydrophobicContact CD1-CD2 4.17Å; F206-L217 HydrophobicContact CD1-CG 4.41Å; F206-L217 HydrophobicContact CE1-CD2 4.01Å; F206-L217 HydrophobicContact CE1-CG 3.82Å; F206-L217 HydrophobicContact CZ-CD2 4.46Å; F206-L217 HydrophobicContact CZ-CG 4.28Å; L211-L217 HydrophobicContact CD2-CD2 4.1Å; V212-L217 HydrophobicContact CB-CB 4.48Å; V212-L217 HydrophobicContact CG2-CB 4.31Å; V212-L217 HydrophobicContact CG2-CD2 4.34Å; V212-L217 PolarHBondContact O-N 3.17Å; H215-L217 PolarHBondContact O-N 3.13Å; L217-I481 HydrophobicContact CD1-CD1 3.84Å; L217-I481 HydrophobicContact CD1-CG1 4.34Å; L217-I481 HydrophobicContact CD2-CD1 4.4Å
218M95.3Very high94.7Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-140.6170.4178.766.7165.2-70.100111.4L19 F20 L124 A135 V136 V137 L138 F206 L220L19-M218 VanDerWaalsContact O-CE 3.22Å; L19-M218 WeakPolarHBondContact O-CE 3.36Å; F20-M218 HydrophobicContact CD1-SD 4.1Å; F20-M218 WeakPolarHBondContact O-CB 3.4Å; L124-M218 HydrophobicContact CD1-CE 3.54Å; L124-M218 HydrophobicContact CD1-SD 3.99Å; L124-M218 HydrophobicContact CD2-CE 3.71Å; L124-M218 HydrophobicContact CD2-SD 3.58Å; L124-M218 VanDerWaalsContact CD2-SD 3.58Å; L124-M218 HydrophobicContact CG-CE 4.24Å; L124-M218 HydrophobicContact CG-SD 4.45Å; A135-M218 HydrophobicContact CB-CG 4.43Å; A135-M218 HydrophobicContact CB-SD 4.26Å; V136-M218 PolarHBondContact O-N 2.98Å; V137-M218 CarbonylContact C-O 3.6Å; V137-M218 WeakPolarHBondContact CA-O 3.38Å; V137-M218 HydrophobicContact CG2-CE 4.47Å; V137-M218 HydrophobicContact CG2-CG 3.76Å; V137-M218 HydrophobicContact CG2-SD 4.02Å; L138-M218 PolarHBondContact N-O 2.91Å; F206-M218 WeakPolarHBondContact CZ-O 3.43Å; M218-L220 HydrophobicContact CE-CD2 4.02Å; M218-L220 HydrophobicContact CE-CG 4.45Å
219S95.1Very high94.8Very high3 Ų328.2 Ų28.22%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-119.2144.7175.7-169.40000111.6S21 L138 N221 N224S21-S219 PolarHBondContact O-N 3.23Å; L138-S219 WeakPolarHBondContact O-CA 3.43Å; L138-S219 PolarHBondContact O-OG 3.02Å; L138-S219 VanDerWaalsContact O-OG 3.06Å; S219-N221 WeakPolarHBondContact OG-CB 3.22Å; S219-N221 PolarHBondContact OG-N 2.73Å; S219-N221 VanDerWaalsContact OG-N 3.08Å; S219-N221 PolarHBondContact OG-OD1 2.9Å; S219-N224 WeakPolarHBondContact O-CB 3.19Å; S219-N224 PolarHBondContact O-ND2 3.05Å; S219-N224 VanDerWaalsContact O-ND2 3.13Å
220L95.3Very high95.2Very high0 Ų025.7 Ų25.70%013%0.131CC..  trans-103.79166.5-73.4-179.4000112.5M117 T120 V121 L124 V137 V139 A149 M218 R227M117-L220 HydrophobicContact CE-CB 4.32Å; M117-L220 HydrophobicContact SD-CB 3.78Å; M117-L220 HydrophobicContact SD-CD1 3.86Å; M117-L220 HydrophobicContact SD-CD2 4.25Å; M117-L220 HydrophobicContact SD-CG 4.19Å; T120-L220 HydrophobicContact CG2-CD2 3.66Å; V121-L220 HydrophobicContact CG2-CD1 3.84Å; V121-L220 HydrophobicContact CG2-CD2 4.47Å; L124-L220 HydrophobicContact CD1-CD2 3.74Å; V137-L220 HydrophobicContact CG1-CB 3.81Å; V137-L220 HydrophobicContact CG1-CD1 3.74Å; V137-L220 HydrophobicContact CG1-CG 3.51Å; V137-L220 HydrophobicContact CG2-CD1 4.17Å; V137-L220 HydrophobicContact CG2-CG 4.17Å; V139-L220 HydrophobicContact CG2-CB 3.88Å; A149-L220 HydrophobicContact CB-CD1 4.4Å; M218-L220 HydrophobicContact CE-CD2 4.02Å; M218-L220 HydrophobicContact CE-CG 4.45Å; L220-R227 PolarHBondContact O-NH1 3.25Å
221N92.9Very high95.3Very high10 Ų1020.4 Ų20.45%0.05310%0.103CC..SBendtrans-62.2170166.9-76.277.4000111.3V139 G140 S219 V223 N224V139-N221 VanDerWaalsContact CA-OD1 3.27Å; V139-N221 WeakPolarHBondContact CA-OD1 3.37Å; G140-N221 PolarHBondContact N-OD1 2.9Å; G140-N221 VanDerWaalsContact N-OD1 3.14Å; G140-N221 PolarHBondContact O-ND2 3.41Å; S219-N221 WeakPolarHBondContact OG-CB 3.22Å; S219-N221 PolarHBondContact OG-N 2.73Å; S219-N221 VanDerWaalsContact OG-N 3.08Å; S219-N221 PolarHBondContact OG-OD1 2.9Å; N221-V223 PolarHBondContact O-N 2.9Å; N221-N224 WeakPolarHBondContact O-CB 3.44Å; N221-N224 PolarHBondContact O-N 3.41Å
222S86.4Confident95.5Very high17 Ų1720.2 Ų20.212%0.11910%0.102CC..THydrogen-bonded Turntrans-69.47.117555.10000113.8N224 Y331 N332 R335S222-N224 VanDerWaalsContact C-N 3.31Å; S222-Y331 WeakPolarHBondContact OG-CE2 3.43Å; S222-Y331 PolarHBondContact OG-OH 3.27Å; S222-Y331 VanDerWaalsContact OG-OH 3.06Å; S222-N332 PolarHBondContact O-OD1 3.27Å; S222-N332 PolarHBondContact OG-ND2 3.4Å; S222-R335 PolarHBondContact O-NH1 3.03Å
223V92Very high95.7Very high3 Ų318.7 Ų18.72%0.0189%0.093CC..THydrogen-bonded Turntrans-65.7-35.5161135.10000111.4G22 F23 M29 N221 W225 Y331 R335G22-V223 WeakPolarHBondContact O-CG1 3.27Å; F23-V223 HydrophobicContact CD1-CG1 4.49Å; F23-V223 HydrophobicContact CD1-CG2 3.83Å; F23-V223 HydrophobicContact CE1-CG2 3.28Å; F23-V223 HydrophobicContact CE2-CG2 4.17Å; F23-V223 HydrophobicContact CG-CG1 4.45Å; F23-V223 HydrophobicContact CG-CG2 4.47Å; F23-V223 HydrophobicContact CZ-CG2 3.48Å; F23-V223 VanDerWaalsContact CZ-CG2 3.48Å; M29-V223 HydrophobicContact CG-CG2 3.95Å; M29-V223 HydrophobicContact SD-CG2 4.01Å; N221-V223 PolarHBondContact O-N 2.9Å; V223-W225 PolarHBondContact O-N 3.26Å; V223-Y331 HydrophobicContact CG2-CD2 4Å; V223-Y331 HydrophobicContact CG2-CE2 4.02Å; V223-R335 PolarHBondContact O-NH2 3.11Å
224N96.2Very high95.9Very high0 Ų09.5 Ų9.50%06%0.058CC..SBendtrans-66.4127.3177.6-169.1-68000110.2L19 S21 S219 N221 S222 S226 R227L19-N224 PolarHBondContact O-ND2 3.3Å; S21-N224 PolarHBondContact O-ND2 3.46Å; S219-N224 WeakPolarHBondContact O-CB 3.19Å; S219-N224 PolarHBondContact O-ND2 3.05Å; S219-N224 VanDerWaalsContact O-ND2 3.13Å; N221-N224 WeakPolarHBondContact O-CB 3.44Å; N221-N224 PolarHBondContact O-N 3.41Å; S222-N224 VanDerWaalsContact C-N 3.31Å; N224-S226 VanDerWaalsContact C-N 3.31Å; N224-S226 PolarHBondContact O-N 3.33Å; N224-S226 VanDerWaalsContact OD1-CB 3.29Å; N224-S226 WeakPolarHBondContact OD1-CB 3.28Å; N224-S226 PolarHBondContact OD1-N 3.2Å; N224-R227 HydrophobicContact CB-CG 4.2Å; N224-R227 WeakPolarHBondContact O-CB 3.5Å; N224-R227 PolarHBondContact O-N 3.29Å
225W97.5Very high96.1Very high0 Ų06.3 Ų6.30%04%0.038CC..Hα-helixtrans-60.9-38.6-177.1166.5-108.4000112.6Y3 V18 M31 P32 F62 V223 R227 V228 M229 I282Y3-W225 HydrophobicContact CD1-CG 4.46Å; Y3-W225 AromaticContact CE1-CD1 3.4Å; Y3-W225 VanDerWaalsContact CE1-CD1 3.4Å; Y3-W225 HydrophobicContact CE1-CD2 4.12Å; Y3-W225 AromaticContact CE1-CE2 3.65Å; Y3-W225 AromaticContact CE1-CG 4Å; Y3-W225 HydrophobicContact CE1-CG 4Å; Y3-W225 HydrophobicContact CE1-CZ2 4.33Å; Y3-W225 AromaticContact CE1-NE1 3.17Å; Y3-W225 AromaticContact CZ-CD1 3.84Å; Y3-W225 AromaticContact CZ-NE1 3.56Å; Y3-W225 PolarHBondContact OH-NE1 3.18Å; V18-W225 HydrophobicContact CG1-CB 3.41Å; V18-W225 VanDerWaalsContact CG1-CB 3.41Å; V18-W225 HydrophobicContact CG1-CG 4.05Å; M31-W225 HydrophobicContact CE-CZ3 4.11Å; M31-W225 HydrophobicContact SD-CE3 3.9Å; M31-W225 HydrophobicContact SD-CZ3 3.51Å; M31-W225 VanDerWaalsContact SD-CZ3 3.51Å; P32-W225 VanDerWaalsContact CD-CH2 3.42Å; P32-W225 HydrophobicContact CG-CH2 3.85Å; P32-W225 HydrophobicContact CG-CZ2 3.94Å; F62-W225 AromaticContact CD1-CZ2 3.68Å; F62-W225 HydrophobicContact CD1-CZ2 3.68Å; F62-W225 HydrophobicContact CE1-CH2 4.23Å; F62-W225 AromaticContact CE1-CZ2 3.75Å; F62-W225 HydrophobicContact CE1-CZ2 3.75Å; F62-W225 HydrophobicContact CG-CZ2 4.1Å; F62-W225 HydrophobicContact CZ-CZ2 4.22Å; V223-W225 PolarHBondContact O-N 3.26Å; W225-R227 PolarHBondContact O-N 2.94Å; W225-V228 HydrophobicContact CE3-CB 4.41Å; W225-V228 HydrophobicContact CZ3-CG1 4.26Å; W225-V228 PolarHBondContact O-N 3.49Å; W225-M229 HydrophobicContact CD2-CB 4.5Å; W225-M229 HydrophobicContact CZ2-CB 4.08Å; W225-M229 HydrophobicContact CZ2-CG 4.4Å; W225-M229 WeakPolarHBondContact O-CB 3.43Å; W225-M229 PolarHBondContact O-N 2.86Å; W225-I282 HydrophobicContact CH2-CD1 4.19Å; W225-I282 HydrophobicContact CZ3-CD1 3.84Å
226S97.6Very high96.2Very high0 Ų05 Ų50%03%0.033CC..Hα-helixtrans-58.1-36.1-179178.90000111.8T120 N224 V228 M229 I230T120-S226 WeakPolarHBondContact OG1-CB 3.36Å; T120-S226 PolarHBondContact OG1-OG 2.88Å; N224-S226 VanDerWaalsContact C-N 3.31Å; N224-S226 PolarHBondContact O-N 3.33Å; N224-S226 VanDerWaalsContact OD1-CB 3.29Å; N224-S226 WeakPolarHBondContact OD1-CB 3.28Å; N224-S226 PolarHBondContact OD1-N 3.2Å; S226-V228 VanDerWaalsContact C-N 3.33Å; S226-V228 PolarHBondContact O-N 2.91Å; S226-M229 PolarHBondContact O-N 3.47Å; S226-I230 WeakPolarHBondContact O-CG1 3.37Å; S226-I230 PolarHBondContact O-N 2.92Å; S226-I230 VanDerWaalsContact O-N 3.08Å
227R97.1Very high96.4Very high2 Ų23 Ų31%0.0082%0.016CC..Hα-helixtrans-60.1-42.8174.7-68-69-52.6-80.24.8112A116 L220 N224 W225 Q231A116-R227 WeakPolarHBondContact CB-O 3.23Å; L220-R227 PolarHBondContact O-NH1 3.25Å; N224-R227 HydrophobicContact CB-CG 4.2Å; N224-R227 WeakPolarHBondContact O-CB 3.5Å; N224-R227 PolarHBondContact O-N 3.29Å; W225-R227 PolarHBondContact O-N 2.94Å; R227-Q231 VanDerWaalsContact O-CG 3.27Å; R227-Q231 WeakPolarHBondContact O-CG 3.19Å; R227-Q231 PolarHBondContact O-N 3.26Å
228V97.7Very high96.5Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-75.3-42.1-179.4178.70000110.9W225 S226 I230 Q231 V232 A279 I282W225-V228 HydrophobicContact CE3-CB 4.41Å; W225-V228 HydrophobicContact CZ3-CG1 4.26Å; W225-V228 PolarHBondContact O-N 3.49Å; S226-V228 VanDerWaalsContact C-N 3.33Å; S226-V228 PolarHBondContact O-N 2.91Å; V228-I230 VanDerWaalsContact C-N 3.35Å; V228-I230 PolarHBondContact O-N 3.4Å; V228-Q231 WeakPolarHBondContact O-CA 3.27Å; V228-Q231 WeakPolarHBondContact O-CB 3.15Å; V228-Q231 PolarHBondContact O-N 3.19Å; V228-V232 PolarHBondContact O-N 3.36Å; V228-A279 HydrophobicContact CG1-CB 4Å; V228-I282 HydrophobicContact CG1-CD1 3.55Å
229M97.9Very high96.6Very high1 Ų13 Ų31%0.0052%0.016CC..Hα-helixtrans-54.9-47.1176.6-180-167.972.900111.9F15 A59 F62 I63 F123 W225 S226 Q231 V232F15-M229 HydrophobicContact CE2-CE 4.15Å; F15-M229 HydrophobicContact CE2-SD 4.05Å; F15-M229 HydrophobicContact CZ-CE 4.27Å; A59-M229 HydrophobicContact CB-CE 4.23Å; F62-M229 HydrophobicContact CB-CG 4.06Å; F62-M229 HydrophobicContact CB-SD 3.56Å; F62-M229 VanDerWaalsContact CB-SD 3.56Å; F62-M229 HydrophobicContact CD2-CG 3.62Å; F62-M229 HydrophobicContact CD2-SD 4.24Å; F62-M229 HydrophobicContact CE2-CG 4.36Å; F62-M229 HydrophobicContact CG-CG 4.04Å; F62-M229 HydrophobicContact CG-SD 4.21Å; I63-M229 HydrophobicContact CD1-CE 3.98Å; I63-M229 HydrophobicContact CD1-SD 4.35Å; I63-M229 HydrophobicContact CG1-CE 4.44Å; I63-M229 HydrophobicContact CG1-SD 4.16Å; F123-M229 HydrophobicContact CD2-CE 4.46Å; F123-M229 HydrophobicContact CE2-CE 3.77Å; W225-M229 HydrophobicContact CD2-CB 4.5Å; W225-M229 HydrophobicContact CZ2-CB 4.08Å; W225-M229 HydrophobicContact CZ2-CG 4.4Å; W225-M229 WeakPolarHBondContact O-CB 3.43Å; W225-M229 PolarHBondContact O-N 2.86Å; S226-M229 PolarHBondContact O-N 3.47Å; M229-Q231 VanDerWaalsContact C-N 3.29Å; M229-Q231 PolarHBondContact O-N 3.21Å; M229-V232 WeakPolarHBondContact O-CB 3.39Å; M229-V232 PolarHBondContact O-N 3.43Å
230I98.1Very high96.7Very high2 Ų23.1 Ų3.11%0.012%0.017CC..Hα-helixtrans-69.4-30.1177.5-60-67.3000111.6V55 A59 A116 C119 F123 S226 V228 V232 A233V55-I230 HydrophobicContact CG1-CD1 3.75Å; V55-I230 HydrophobicContact CG1-CG2 4.33Å; A59-I230 HydrophobicContact CB-CD1 4.47Å; A116-I230 HydrophobicContact CB-CB 3.95Å; A116-I230 HydrophobicContact CB-CG2 4.04Å; C119-I230 HydrophobicContact CB-CD1 3.8Å; C119-I230 HydrophobicContact CB-CG1 3.82Å; C119-I230 HydrophobicContact CB-CG2 4.35Å; F123-I230 HydrophobicContact CE2-CD1 3.95Å; F123-I230 HydrophobicContact CE2-CG1 4.39Å; F123-I230 HydrophobicContact CZ-CD1 4.16Å; S226-I230 WeakPolarHBondContact O-CG1 3.37Å; S226-I230 PolarHBondContact O-N 2.92Å; S226-I230 VanDerWaalsContact O-N 3.08Å; V228-I230 VanDerWaalsContact C-N 3.35Å; V228-I230 PolarHBondContact O-N 3.4Å; I230-V232 VanDerWaalsContact C-N 3.3Å; I230-V232 PolarHBondContact O-N 3.07Å; I230-A233 WeakPolarHBondContact O-CB 3.4Å; I230-A233 PolarHBondContact O-N 3.27Å
231Q98.3Very high96.8Very high5 Ų56.3 Ų6.32%0.0233%0.031CC..Hα-helixtrans-66.3-31.7173.4-74.1171.25.300112.6F112 A116 R227 V228 M229 A233 H234 F235 G275 A279F112-Q231 HydrophobicContact CE2-CG 4.47Å; A116-Q231 HydrophobicContact CB-CG 4.15Å; R227-Q231 VanDerWaalsContact O-CG 3.27Å; R227-Q231 WeakPolarHBondContact O-CG 3.19Å; R227-Q231 PolarHBondContact O-N 3.26Å; V228-Q231 WeakPolarHBondContact O-CA 3.27Å; V228-Q231 WeakPolarHBondContact O-CB 3.15Å; V228-Q231 PolarHBondContact O-N 3.19Å; M229-Q231 VanDerWaalsContact C-N 3.29Å; M229-Q231 PolarHBondContact O-N 3.21Å; Q231-A233 PolarHBondContact O-N 3.02Å; Q231-H234 VanDerWaalsContact CA-CD2 3.4Å; Q231-H234 WeakPolarHBondContact CA-CD2 3.17Å; Q231-H234 PolarHBondContact O-CD2 3.01Å; Q231-H234 PolarHBondContact O-CE1 3.01Å; Q231-H234 VanDerWaalsContact O-CG 3.25Å; Q231-H234 PolarHBondContact O-N 2.84Å; Q231-H234 PolarHBondContact O-NE2 3.49Å; Q231-F235 VanDerWaalsContact O-CD2 3.29Å; Q231-F235 WeakPolarHBondContact O-CD2 3.3Å; Q231-G275 PolarHBondContact OE1-O 2.82Å; Q231-A279 HydrophobicContact CB-CB 3.55Å
232V98.8Very high96.9Very high0 Ų06.4 Ų6.40%03%0.032CC..Hα-helixtrans-54.6-40.1173.7174.40000110.7V58 V228 M229 I230 H234 F235 F236 A279 I282 A283 M286V58-V232 HydrophobicContact CG1-CB 4.15Å; V58-V232 HydrophobicContact CG1-CG1 3.95Å; V228-V232 PolarHBondContact O-N 3.36Å; M229-V232 WeakPolarHBondContact O-CB 3.39Å; M229-V232 PolarHBondContact O-N 3.43Å; I230-V232 VanDerWaalsContact C-N 3.3Å; I230-V232 PolarHBondContact O-N 3.07Å; V232-H234 VanDerWaalsContact C-N 3.33Å; V232-H234 PolarHBondContact O-N 2.95Å; V232-F235 PolarHBondContact O-N 3.2Å; V232-F236 HydrophobicContact CG1-CD2 3.71Å; V232-F236 HydrophobicContact CG1-CE2 3.51Å; V232-F236 WeakPolarHBondContact O-CD2 3.48Å; V232-F236 PolarHBondContact O-N 2.84Å; V232-A279 HydrophobicContact CG2-CB 4.08Å; V232-I282 HydrophobicContact CG2-CB 4.05Å; V232-I282 HydrophobicContact CG2-CG2 3.71Å; V232-A283 HydrophobicContact CG1-CB 4.19Å; V232-M286 HydrophobicContact CG1-CE 4.39Å; V232-M286 HydrophobicContact CG1-SD 3.72Å
233A98.4Very high97.3Very high0 Ų05.7 Ų5.70%03%0.027CC..Hα-helixtrans-61.4-33.7-176.500000114.5V55 V58 I230 Q231 F235 F236 Y237V55-A233 HydrophobicContact CB-CB 4.24Å; V55-A233 HydrophobicContact CG2-CB 3.77Å; V58-A233 HydrophobicContact CB-CB 4.05Å; V58-A233 HydrophobicContact CG1-CB 4.21Å; V58-A233 HydrophobicContact CG2-CB 4.21Å; I230-A233 WeakPolarHBondContact O-CB 3.4Å; I230-A233 PolarHBondContact O-N 3.27Å; Q231-A233 PolarHBondContact O-N 3.02Å; A233-F235 VanDerWaalsContact C-N 3.27Å; A233-F235 PolarHBondContact O-N 3.38Å; A233-F236 PolarHBondContact O-N 2.86Å; A233-Y237 WeakPolarHBondContact O-CB 3.41Å; A233-Y237 PolarHBondContact O-N 2.94Å
234H97.6Very high97.2Very high3 Ų37.2 Ų7.21%0.0144%0.043CC..Hα-helixtrans-73.2-21.3178.167.478.5000113.1Y51 L104 Q231 V232 A238 N276Y51-H234 HydrophobicContact CE2-CB 3.85Å; L104-H234 HydrophobicContact CD2-CB 4.14Å; Q231-H234 VanDerWaalsContact CA-CD2 3.4Å; Q231-H234 WeakPolarHBondContact CA-CD2 3.17Å; Q231-H234 PolarHBondContact O-CD2 3.01Å; Q231-H234 PolarHBondContact O-CE1 3.01Å; Q231-H234 VanDerWaalsContact O-CG 3.25Å; Q231-H234 PolarHBondContact O-N 2.84Å; Q231-H234 PolarHBondContact O-NE2 3.49Å; V232-H234 VanDerWaalsContact C-N 3.33Å; V232-H234 PolarHBondContact O-N 2.95Å; H234-A238 VanDerWaalsContact O-CB 3.24Å; H234-A238 WeakPolarHBondContact O-CB 3.22Å; H234-A238 PolarHBondContact O-N 3.5Å; H234-N276 PolarHBondContact CE1-OD1 2.97Å; H234-N276 PolarHBondContact NE2-OD1 2.8Å; H234-N276 VanDerWaalsContact NE2-OD1 3.07Å
235F98.7Very high96.8Very high0 Ų07.5 Ų7.50%05%0.045CC..Hα-helixtrans-76.3-37.4170.3-64-71.6000112.1Q231 V232 A233 A238 Y239 V267 V269 N276 A279 A280 A283 L290 V425Q231-F235 VanDerWaalsContact O-CD2 3.29Å; Q231-F235 WeakPolarHBondContact O-CD2 3.3Å; V232-F235 PolarHBondContact O-N 3.2Å; A233-F235 VanDerWaalsContact C-N 3.27Å; A233-F235 PolarHBondContact O-N 3.38Å; F235-A238 PolarHBondContact O-N 2.86Å; F235-Y239 VanDerWaalsContact O-CB 3.28Å; F235-Y239 WeakPolarHBondContact O-CB 3.43Å; F235-Y239 PolarHBondContact O-N 2.97Å; F235-V267 HydrophobicContact CD1-CG1 3.91Å; F235-V267 HydrophobicContact CE1-CG1 3.71Å; F235-V269 HydrophobicContact CE1-CG2 3.94Å; F235-V269 HydrophobicContact CZ-CG2 4.15Å; F235-N276 WeakPolarHBondContact CE2-O 3.4Å; F235-N276 WeakPolarHBondContact CE2-OD1 3.38Å; F235-N276 VanDerWaalsContact CZ-O 3.26Å; F235-N276 WeakPolarHBondContact CZ-O 3.1Å; F235-N276 WeakPolarHBondContact CZ-OD1 3.3Å; F235-A279 HydrophobicContact CD2-CB 4.3Å; F235-A279 HydrophobicContact CE2-CB 3.87Å; F235-A280 HydrophobicContact CD1-CB 3.88Å; F235-A280 HydrophobicContact CD2-CB 4.01Å; F235-A280 HydrophobicContact CE1-CB 3.52Å; F235-A280 HydrophobicContact CE2-CB 3.66Å; F235-A280 VanDerWaalsContact CE2-N 3.27Å; F235-A280 HydrophobicContact CG-CB 4.1Å; F235-A280 HydrophobicContact CZ-CB 3.39Å; F235-A283 HydrophobicContact CB-CB 4.12Å; F235-L290 HydrophobicContact CB-CD1 4.07Å; F235-L290 HydrophobicContact CD1-CD1 4.48Å; F235-V425 HydrophobicContact CE1-CG2 4.43Å
236F98.7Very high95.8Very high0 Ų010.1 Ų10.10%07%0.071CC..Hα-helixtrans-58.8-50.1168.2-83.8-101000111V38 L43 W46 V54 V58 V232 A233 A238 Y239 L240 A283 M286 L288V38-F236 HydrophobicContact CB-CE1 4.13Å; V38-F236 HydrophobicContact CB-CZ 4.41Å; V38-F236 HydrophobicContact CG1-CE1 4.15Å; V38-F236 HydrophobicContact CG2-CE1 3.85Å; V38-F236 HydrophobicContact CG2-CZ 3.86Å; L43-F236 HydrophobicContact CD2-CD1 3.88Å; L43-F236 HydrophobicContact CD2-CE1 3.72Å; W46-F236 AromaticContact CE3-CD1 3.91Å; W46-F236 HydrophobicContact CE3-CD1 3.91Å; W46-F236 HydrophobicContact CE3-CE1 4.39Å; W46-F236 AromaticContact CZ3-CD1 3.53Å; W46-F236 HydrophobicContact CZ3-CD1 3.53Å; W46-F236 AromaticContact CZ3-CE1 3.75Å; W46-F236 HydrophobicContact CZ3-CE1 3.75Å; W46-F236 HydrophobicContact CZ3-CG 4.38Å; V54-F236 HydrophobicContact CG1-CB 3.67Å; V58-F236 HydrophobicContact CG2-CB 4.25Å; V58-F236 HydrophobicContact CG2-CD1 4.36Å; V58-F236 HydrophobicContact CG2-CD2 4.02Å; V58-F236 HydrophobicContact CG2-CE2 4.47Å; V58-F236 HydrophobicContact CG2-CG 3.95Å; V232-F236 HydrophobicContact CG1-CD2 3.71Å; V232-F236 HydrophobicContact CG1-CE2 3.51Å; V232-F236 WeakPolarHBondContact O-CD2 3.48Å; V232-F236 PolarHBondContact O-N 2.84Å; A233-F236 PolarHBondContact O-N 2.86Å; F236-A238 PolarHBondContact O-N 3.07Å; F236-Y239 WeakPolarHBondContact O-CB 3.44Å; F236-Y239 PolarHBondContact O-N 2.95Å; F236-L240 WeakPolarHBondContact O-CG 3.27Å; F236-L240 PolarHBondContact O-N 2.83Å; F236-A283 HydrophobicContact CD2-CB 4.32Å; F236-A283 HydrophobicContact CE2-CB 3.98Å; F236-M286 HydrophobicContact CE2-CE 3.9Å; F236-M286 HydrophobicContact CE2-SD 4.07Å; F236-M286 HydrophobicContact CZ-CB 4.24Å; F236-M286 HydrophobicContact CZ-CE 3.72Å; F236-M286 HydrophobicContact CZ-SD 4.3Å; F236-L288 HydrophobicContact CB-CD2 4.48Å; F236-L288 HydrophobicContact CD1-CD1 3.55Å; F236-L288 HydrophobicContact CD1-CD2 4.24Å; F236-L288 HydrophobicContact CD2-CD1 4.4Å; F236-L288 HydrophobicContact CD2-CD2 3.97Å; F236-L288 HydrophobicContact CE1-CD1 3.29Å; F236-L288 HydrophobicContact CE2-CD1 4.18Å; F236-L288 HydrophobicContact CE2-CD2 4.25Å; F236-L288 HydrophobicContact CG-CD1 4.13Å; F236-L288 HydrophobicContact CG-CD2 3.98Å; F236-L288 HydrophobicContact CZ-CD1 3.64Å
237Y98.5Very high94.5Very high16 Ų1613.5 Ų13.56%0.06310%0.1CC..Hα-helixtrans-60.1-47.4177.6-178-103.5000112.5Y51 V54 V90 I92 L102 A233 Y239 L240 E241Y51-Y237 AromaticContact CD2-CD1 3.92Å; Y51-Y237 HydrophobicContact CD2-CD1 3.92Å; Y51-Y237 HydrophobicContact CD2-CD2 4.09Å; Y51-Y237 AromaticContact CD2-CG 3.65Å; Y51-Y237 HydrophobicContact CD2-CG 3.65Å; Y51-Y237 HydrophobicContact CG-CG 4.5Å; V54-Y237 HydrophobicContact CG2-CD2 4.22Å; V90-Y237 HydrophobicContact CG2-CD1 3.85Å; V90-Y237 HydrophobicContact CG2-CE1 3.39Å; I92-Y237 HydrophobicContact CD1-CE1 4.07Å; I92-Y237 HydrophobicContact CG1-CE1 4.47Å; L102-Y237 HydrophobicContact CD1-CD1 4.2Å; L102-Y237 HydrophobicContact CD1-CE1 4.31Å; A233-Y237 WeakPolarHBondContact O-CB 3.41Å; A233-Y237 PolarHBondContact O-N 2.94Å; Y237-Y239 VanDerWaalsContact C-N 3.27Å; Y237-Y239 PolarHBondContact O-N 2.73Å; Y237-L240 PolarHBondContact O-N 3.02Å; Y237-E241 HydrophobicContact CD1-CG 4.45Å; Y237-E241 HydrophobicContact CD2-CG 4.3Å; Y237-E241 HydrophobicContact CE1-CG 4.07Å; Y237-E241 HydrophobicContact CE2-CG 3.9Å; Y237-E241 WeakPolarHBondContact O-CB 3.45Å; Y237-E241 WeakPolarHBondContact O-CG 3.47Å; Y237-E241 PolarHBondContact O-N 2.83Å
238A98.2Very high92.6Very high0 Ų021.7 Ų21.70%014%0.138CC..Hα-helixtrans-57.4-42.6175.900000111.9L102 H234 F235 F236 E241 L242 L265L102-A238 HydrophobicContact CD2-CB 3.99Å; H234-A238 VanDerWaalsContact O-CB 3.24Å; H234-A238 WeakPolarHBondContact O-CB 3.22Å; H234-A238 PolarHBondContact O-N 3.5Å; F235-A238 PolarHBondContact O-N 2.86Å; F236-A238 PolarHBondContact O-N 3.07Å; A238-E241 PolarHBondContact O-N 3.06Å; A238-L242 VanDerWaalsContact O-CB 3.24Å; A238-L242 WeakPolarHBondContact O-CB 3.37Å; A238-L242 PolarHBondContact O-N 3.39Å; A238-L265 HydrophobicContact CB-CD2 4.32Å; A238-L265 WeakPolarHBondContact O-CD2 3.31Å
239Y98.4Very high90.5Very high0 Ų025.7 Ų25.70%016%0.164CC..Hα-helixtrans-61.4-50.6177.2-176.1-98.9000112.1L43 F235 F236 Y237 E241 S243 L245 L262 P263 L265 L288 P289 L290L43-Y239 HydrophobicContact CD1-CE1 4.31Å; F235-Y239 VanDerWaalsContact O-CB 3.28Å; F235-Y239 WeakPolarHBondContact O-CB 3.43Å; F235-Y239 PolarHBondContact O-N 2.97Å; F236-Y239 WeakPolarHBondContact O-CB 3.44Å; F236-Y239 PolarHBondContact O-N 2.95Å; Y237-Y239 VanDerWaalsContact C-N 3.27Å; Y237-Y239 PolarHBondContact O-N 2.73Å; Y239-E241 PolarHBondContact O-N 3.17Å; Y239-S243 WeakPolarHBondContact O-CB 3.34Å; Y239-S243 PolarHBondContact O-N 2.95Å; Y239-S243 PolarHBondContact O-OG 3.33Å; Y239-L245 HydrophobicContact CE1-CD2 4.21Å; Y239-L262 WeakPolarHBondContact OH-CB 3.37Å; Y239-P263 WeakPolarHBondContact CE2-O 3.24Å; Y239-P263 WeakPolarHBondContact OH-CD 3.47Å; Y239-P263 PolarHBondContact OH-O 3.17Å; Y239-L265 HydrophobicContact CD2-CB 3.93Å; Y239-L265 HydrophobicContact CD2-CD2 4.46Å; Y239-L265 HydrophobicContact CE2-CB 4.32Å; Y239-L288 HydrophobicContact CD1-CD1 4.44Å; Y239-L288 HydrophobicContact CD1-CG 4.21Å; Y239-L288 HydrophobicContact CD2-CG 4.43Å; Y239-L288 HydrophobicContact CG-CD2 4.08Å; Y239-L288 HydrophobicContact CG-CG 3.99Å; Y239-P289 HydrophobicContact CE2-CG 3.53Å; Y239-P289 VanDerWaalsContact OH-CG 3.23Å; Y239-P289 WeakPolarHBondContact OH-CG 2.86Å; Y239-L290 HydrophobicContact CD2-CD2 3.69Å; Y239-L290 HydrophobicContact CG-CD2 4.36Å
240L97.3Very high88.4Confident7 Ų728.7 Ų28.74%0.03720%0.195CC..Hα-helixtrans-60-36.4-179-65.8167.1000111.8L43 W46 V54 F236 Y237 L245L43-L240 WeakPolarHBondContact O-CD2 3.41Å; W46-L240 HydrophobicContact CB-CD1 3.88Å; W46-L240 HydrophobicContact CB-CD2 4.04Å; V54-L240 HydrophobicContact CG2-CD1 3.88Å; F236-L240 WeakPolarHBondContact O-CG 3.27Å; F236-L240 PolarHBondContact O-N 2.83Å; Y237-L240 PolarHBondContact O-N 3.02Å; L240-L245 HydrophobicContact CD2-CD2 3.83Å
241E96.3Very high85.7Confident66 Ų6638 Ų3831%0.30824%0.244SC..Hα-helixtrans-88.2-29.8-176-72.2-60.3122.800115.1I92 R94 Y237 A238 Y239I92-E241 HydrophobicContact CD1-CB 3.43Å; I92-E241 VanDerWaalsContact CD1-CB 3.43Å; I92-E241 HydrophobicContact CD1-CG 3.85Å; R94-E241 PolarHBondContact NH2-O 3.14Å; Y237-E241 HydrophobicContact CD1-CG 4.45Å; Y237-E241 HydrophobicContact CD2-CG 4.3Å; Y237-E241 HydrophobicContact CE1-CG 4.07Å; Y237-E241 HydrophobicContact CE2-CG 3.9Å; Y237-E241 WeakPolarHBondContact O-CB 3.45Å; Y237-E241 WeakPolarHBondContact O-CG 3.47Å; Y237-E241 PolarHBondContact O-N 2.83Å; A238-E241 PolarHBondContact O-N 3.06Å; Y239-E241 PolarHBondContact O-N 3.17Å
242L96.1Very high83.5Confident12 Ų1241.5 Ų41.56%0.06328%0.281CS..Hα-helixtrans-121-15.5-167.4-63.5174.2000114.7I92 A238 G244 L265 N421 C423I92-L242 HydrophobicContact CD1-CD1 4.23Å; I92-L242 HydrophobicContact CD1-CD2 4.37Å; I92-L242 HydrophobicContact CD1-CG 4.09Å; I92-L242 HydrophobicContact CG2-CD1 4.33Å; I92-L242 HydrophobicContact CG2-CD2 3.88Å; I92-L242 HydrophobicContact CG2-CG 4.48Å; A238-L242 VanDerWaalsContact O-CB 3.24Å; A238-L242 WeakPolarHBondContact O-CB 3.37Å; A238-L242 PolarHBondContact O-N 3.39Å; L242-G244 PolarHBondContact O-N 3.44Å; L242-L265 HydrophobicContact CB-CD1 3.95Å; L242-L265 HydrophobicContact CB-CD2 4.29Å; L242-N421 WeakPolarHBondContact O-CB 3.46Å; L242-N421 PolarHBondContact O-ND2 3.28Å; L242-C423 HydrophobicContact CD1-CB 3.65Å
243S94.4Very high81.3Confident2 Ų243.8 Ų43.81%0.01430%0.3CS..SBendtrans-67.9-24.1-17863.50000113.2Y239 L245 P263 N421Y239-S243 WeakPolarHBondContact O-CB 3.34Å; Y239-S243 PolarHBondContact O-N 2.95Å; Y239-S243 PolarHBondContact O-OG 3.33Å; S243-L245 WeakPolarHBondContact OG-CB 3.41Å; S243-L245 PolarHBondContact OG-N 3.1Å; S243-L245 VanDerWaalsContact OG-N 3.1Å; S243-P263 WeakPolarHBondContact O-CB 3.37Å; S243-N421 VanDerWaalsContact C-ND2 3.35Å; S243-N421 PolarHBondContact O-ND2 3.16Å
244G90.3Very high79.1Confident35 Ų3551.1 Ų51.136%0.36133%0.334SS..  trans86.714.8-166.700000112.7L242 G246 A247L242-G244 PolarHBondContact O-N 3.44Å; G244-G246 PolarHBondContact O-N 3.18Å; G244-A247 VanDerWaalsContact O-CB 3.29Å; G244-A247 WeakPolarHBondContact O-CB 3.45Å; G244-A247 PolarHBondContact O-N 3.07Å
245L86.9Confident77Confident7 Ų757.5 Ų57.54%0.03738%0.376CS..THydrogen-bonded Turntrans-51.4124.7174.6-175.365.8000110.8R44 K47 Y239 L240 S243 A247 L262 P263R44-L245 HydrophobicContact CG-CD1 3.99Å; R44-L245 HydrophobicContact CG-CG 4.48Å; K47-L245 WeakPolarHBondContact CD-O 3.47Å; K47-L245 WeakPolarHBondContact CE-O 3.41Å; K47-L245 PolarHBondContact NZ-O 3.03Å; Y239-L245 HydrophobicContact CE1-CD2 4.21Å; L240-L245 HydrophobicContact CD2-CD2 3.83Å; S243-L245 WeakPolarHBondContact OG-CB 3.41Å; S243-L245 PolarHBondContact OG-N 3.1Å; S243-L245 VanDerWaalsContact OG-N 3.1Å; L245-A247 VanDerWaalsContact C-N 3.28Å; L245-A247 PolarHBondContact O-N 3.03Å; L245-L262 HydrophobicContact CD1-CD2 3.59Å; L245-P263 HydrophobicContact CB-CG 4.48Å
246G76.3Confident75Confident54 Ų5461.5 Ų61.556%0.55742%0.417SS*.THydrogen-bonded Turntrans65.326.6-17800000114.3K47 G244K47-G246 VanDerWaalsContact NZ-C 3.27Å; K47-G246 PolarHBondContact NZ-O 2.84Å; G244-G246 PolarHBondContact O-N 3.18Å
247A70Confident73Confident72 Ų7267.8 Ų67.860%0.59545%0.45SS*.PPolyproline II helixtrans-61.1133.2157.600000108.4G244 L245G244-A247 VanDerWaalsContact O-CB 3.29Å; G244-A247 WeakPolarHBondContact O-CB 3.45Å; G244-A247 PolarHBondContact O-N 3.07Å; L245-A247 VanDerWaalsContact C-N 3.28Å; L245-A247 PolarHBondContact O-N 3.03Å
248E57.5Low71.1Confident174 Ų17475.4 Ų75.481%0.81349%0.486SS*.PPolyproline II helixtrans-52.7128.5174.8-74-72.1147.300108.5G250E248-G250 PolarHBondContact O-N 3.34Å
249P53.9Low69.5Low84 Ų8479 Ų7955%0.54551%0.51SS..PPolyproline II helixtrans-55.9133.7169.424.5-31.8000108.1A253P249-A253 HydrophobicContact CB-CB 3.41Å; P249-A253 VanDerWaalsContact CB-CB 3.41Å; P249-A253 HydrophobicContact CG-CB 3.36Å
250G54.7Low68.1Low63 Ų6381.3 Ų81.365%0.64953%0.534SS*.PPolyproline II helixtrans-50.1151.5-173.700000112.5E248 G252 A253E248-G250 PolarHBondContact O-N 3.34Å; G250-G252 PolarHBondContact O-N 3.07Å; G250-A253 PolarHBondContact O-N 3.01Å
251L40.5Very low67.4Low198 Ų19887.1 Ų87.1100%1.03757%0.572SS**THydrogen-bonded Turntrans-33.399.7177.3-82.8146.4000111.7
252G52.3Low67.1Low79 Ų7985.8 Ų85.881%0.81457%0.567SS**THydrogen-bonded Turntrans139.1-5.6-177.400000116.8G250G250-G252 PolarHBondContact O-N 3.07Å
253A52.9Low67Low48 Ų4887.3 Ų87.340%0.39758%0.577SS.*PPolyproline II helixtrans-80.4128.1173.300000112.1P249 G250P249-A253 HydrophobicContact CB-CB 3.41Å; P249-A253 VanDerWaalsContact CB-CB 3.41Å; P249-A253 HydrophobicContact CG-CB 3.36Å; G250-A253 PolarHBondContact O-N 3.01Å
254E52.6Low66.9Low154 Ų15491.1 Ų91.172%0.7260%0.595SS**PPolyproline II helixtrans-70.1140.6178.8-65-150.3161.700111.8G256 L257E254-G256 PolarHBondContact O-N 2.83Å; E254-L257 HydrophobicContact CB-CD1 4.39Å
255P52.6Low67.3Low137 Ų13789.5 Ų89.589%0.8958%0.578SS**THydrogen-bonded Turntrans-60.3122.6171.9-17.629.5000110.6
256G57.6Low67.8Low84 Ų8489.4 Ų89.487%0.86658%0.577SS**THydrogen-bonded Turntrans111.65173.700000116.5E254E254-G256 PolarHBondContact O-N 2.83Å
257L55.4Low68.8Low132 Ų13286.9 Ų86.969%0.69155%0.551SS**PPolyproline II helixtrans-74.5139.7170.2-81.5157.6000111.7E254E254-L257 HydrophobicContact CB-CD1 4.39Å
258E58.5Low70.2Confident176 Ų17683.4 Ų83.482%0.82252%0.522SS*.PPolyproline II helixtrans-46.1135.8167.9-78.8-92.4146.900110.2G260E258-G260 PolarHBondContact O-N 2.68Å
259P64.2Low72.1Confident75 Ų7575.1 Ų75.149%0.48748%0.484SS..PPolyproline II helixtrans-59.6126.9179.524.8-32.3000109.4
260G69.3Low74.3Confident49 Ų4971.5 Ų71.551%0.50546%0.46SS..  trans-56.9174.7179.900000113.8R44 E258R44-G260 PolarHBondContact NH2-O 2.84Å; E258-G260 PolarHBondContact O-N 2.68Å
261P83.2Confident76.3Confident129 Ų12968.7 Ų68.784%0.83843%0.43SS*.PPolyproline II helixtrans-57146.2-178.526-34.4000110.9
262L90Very high78.8Confident38 Ų3859.8 Ų59.820%0.19939%0.386CS..PPolyproline II helixtrans-58.7131.6176.7-70.1178.2000110.2P40 L43 Y239 L245 P289P40-L262 HydrophobicContact CB-CD1 3.88Å; P40-L262 HydrophobicContact CB-CD2 4.08Å; P40-L262 HydrophobicContact CB-CG 4.02Å; P40-L262 HydrophobicContact CG-CD1 3.93Å; P40-L262 HydrophobicContact CG-CG 4.39Å; L43-L262 HydrophobicContact CD1-CD1 3.78Å; Y239-L262 WeakPolarHBondContact OH-CB 3.37Å; L245-L262 HydrophobicContact CD1-CD2 3.59Å; L262-P289 HydrophobicContact CB-CG 3.78Å; L262-P289 HydrophobicContact CD1-CG 4.27Å
263P93.2Very high80.8Confident43 Ų4356.6 Ų56.628%0.27935%0.353SS..PPolyproline II helixtrans-67.6142.6178.527.4-33.3000110.3Y239 S243 L245 P289Y239-P263 WeakPolarHBondContact CE2-O 3.24Å; Y239-P263 WeakPolarHBondContact OH-CD 3.47Å; Y239-P263 PolarHBondContact OH-O 3.17Å; S243-P263 WeakPolarHBondContact O-CB 3.37Å; L245-P263 HydrophobicContact CB-CG 4.48Å; P263-P289 WeakPolarHBondContact O-CG 3.29Å
264E94Very high82.9Confident83 Ų8354.5 Ų54.539%0.38834%0.336SS..PPolyproline II helixtrans-83.6137176.4-172.6-177.6-115.800111P289 K291 R420E264-P289 WeakPolarHBondContact CA-O 3.39Å; E264-K291 HydrophobicContact CG-CB 4.27Å; E264-R420 IonicContact OE2-CZ 3.98Å; E264-R420 IonicContact OE2-NE 2.68Å; E264-R420 PolarHBondContact OE2-NE 3.46Å; E264-R420 IonicContact OE2-NH2 3.01Å; E264-R420 PolarHBondContact OE2-NH2 3.38Å
265L96.8Very high85Confident0 Ų047.4 Ų47.40%030%0.304CS..EExtended strand (participates in β ladder)trans-111.2125.6172.7178.466.3000110.4A238 Y239 L242 V267 P289 L290 K291 N421 C423A238-L265 HydrophobicContact CB-CD2 4.32Å; A238-L265 WeakPolarHBondContact O-CD2 3.31Å; Y239-L265 HydrophobicContact CD2-CB 3.93Å; Y239-L265 HydrophobicContact CD2-CD2 4.46Å; Y239-L265 HydrophobicContact CE2-CB 4.32Å; L242-L265 HydrophobicContact CB-CD1 3.95Å; L242-L265 HydrophobicContact CB-CD2 4.29Å; L265-V267 HydrophobicContact CD2-CG2 3.86Å; L265-V267 HydrophobicContact CG-CG2 3.88Å; L265-P289 PolarHBondContact N-O 3.04Å; L265-L290 HydrophobicContact CB-CD2 3.98Å; L265-L290 HydrophobicContact CD2-CD2 4.3Å; L265-L290 HydrophobicContact CG-CD2 4.49Å; L265-L290 CarbonylContact O-C 3.58Å; L265-L290 VanDerWaalsContact O-CA 3.28Å; L265-L290 WeakPolarHBondContact O-CA 3.5Å; L265-K291 PolarHBondContact O-N 3.2Å; L265-N421 HydrophobicContact CD1-CB 4.04Å; L265-C423 HydrophobicContact CD1-CB 4.27Å; L265-C423 HydrophobicContact CD2-CB 4.17Å; L265-C423 HydrophobicContact CG-CB 4.45Å
266E97.6Very high87.1Confident6 Ų641.4 Ų41.43%0.02827%0.265CS..EExtended strand (participates in β ladder)trans-86.1120170.7174.8175.7-94.500110.3K291 V293 H410 R420 N421 R422 C423E266-K291 CarbonylContact C-O 3.52Å; E266-K291 VanDerWaalsContact CA-O 3.28Å; E266-K291 WeakPolarHBondContact CA-O 3.5Å; E266-K291 HydrophobicContact CB-CB 4.15Å; E266-K291 HydrophobicContact CG-CB 4.49Å; E266-K291 HydrophobicContact CG-CD 4.43Å; E266-K291 HydrophobicContact CG-CG 4.39Å; E266-K291 WeakPolarHBondContact OE1-CD 3.37Å; E266-K291 VanDerWaalsContact OE1-CE 3.3Å; E266-K291 WeakPolarHBondContact OE1-CE 3.34Å; E266-K291 IonicContact OE1-NZ 2.77Å; E266-K291 PolarHBondContact OE1-NZ 3.41Å; E266-V293 HydrophobicContact CG-CG2 3.86Å; E266-H410 IonicContact OE2-CE1 2.91Å; E266-R420 HydrophobicContact CB-CG 4.31Å; E266-R420 IonicContact OE1-NH1 3.86Å; E266-N421 PolarHBondContact N-O 3.07Å; E266-N421 VanDerWaalsContact N-O 3.07Å; E266-R422 HydrophobicContact CB-CG 3.99Å; E266-R422 HydrophobicContact CG-CG 4.27Å; E266-R422 CarbonylContact O-C 3.4Å; E266-R422 VanDerWaalsContact O-CA 3.23Å; E266-R422 WeakPolarHBondContact O-CA 3.22Å; E266-R422 WeakPolarHBondContact OE2-CD 3.38Å; E266-R422 WeakPolarHBondContact OE2-CG 3.37Å; E266-R422 IonicContact OE2-NE 3.51Å; E266-R422 PolarHBondContact OE2-NE 3.11Å; E266-C423 PolarHBondContact O-N 3.03Å
267V98.4Very high89Confident0 Ų037.6 Ų37.60%022%0.224CC..EExtended strand (participates in β ladder)trans-112.8123-177-171.80000109.9F235 L265 V269 L290 K291 V293 C423 V425F235-V267 HydrophobicContact CD1-CG1 3.91Å; F235-V267 HydrophobicContact CE1-CG1 3.71Å; L265-V267 HydrophobicContact CD2-CG2 3.86Å; L265-V267 HydrophobicContact CG-CG2 3.88Å; V267-V269 HydrophobicContact CG1-CG2 4.08Å; V267-L290 HydrophobicContact CG2-CD1 4.42Å; V267-L290 HydrophobicContact CG2-CD2 4.01Å; V267-K291 PolarHBondContact N-O 2.72Å; V267-V293 PolarHBondContact O-N 3.42Å; V267-C423 WeakPolarHBondContact CA-O 3.43Å; V267-C423 HydrophobicContact CG1-CB 4.45Å; V267-C423 HydrophobicContact CG2-CB 4.37Å; V267-V425 HydrophobicContact CG1-CG2 3.92Å
268V98.7Very high91.1Very high0 Ų031.3 Ų31.30%019%0.192CC..EExtended strand (participates in β ladder)trans-107.7117.4-176.9-168.30000109.6V293 M295 A407 H410 C423 Y424 V425V268-V293 WeakPolarHBondContact CA-O 3.24Å; V268-V293 HydrophobicContact CB-CB 4.33Å; V268-V293 HydrophobicContact CG1-CB 4.12Å; V268-V293 HydrophobicContact CG1-CG1 4.12Å; V268-V293 HydrophobicContact CG2-CB 4.08Å; V268-V293 HydrophobicContact CG2-CG2 4.22Å; V268-M295 HydrophobicContact CG1-CG 3.52Å; V268-A407 HydrophobicContact CG1-CB 4.02Å; V268-A407 WeakPolarHBondContact CG1-O 3.37Å; V268-H410 HydrophobicContact CG1-CB 4.07Å; V268-C423 PolarHBondContact N-O 3.06Å; V268-Y424 HydrophobicContact CB-CD1 3.72Å; V268-Y424 HydrophobicContact CB-CE1 3.93Å; V268-Y424 HydrophobicContact CB-CG 4.4Å; V268-Y424 HydrophobicContact CG1-CD1 4.09Å; V268-Y424 HydrophobicContact CG1-CE1 4.18Å; V268-Y424 HydrophobicContact CG2-CD1 3.92Å; V268-Y424 HydrophobicContact CG2-CE1 3.64Å; V268-V425 PolarHBondContact O-N 2.92Å
269V98.7Very high93Very high0 Ų023 Ų230%015%0.152CC..EExtended strand (participates in β ladder)trans-118.5121.3-171-172.20000110.1F235 V267 T271 N276 I277 V293 M295 V425F235-V269 HydrophobicContact CE1-CG2 3.94Å; F235-V269 HydrophobicContact CZ-CG2 4.15Å; V267-V269 HydrophobicContact CG1-CG2 4.08Å; V269-T271 PolarHBondContact O-N 3.29Å; V269-T271 PolarHBondContact O-OG1 3.4Å; V269-N276 HydrophobicContact CG1-CB 3.95Å; V269-I277 HydrophobicContact CB-CD1 4.02Å; V269-I277 HydrophobicContact CG2-CD1 3.9Å; V269-V293 PolarHBondContact N-O 3.31Å; V269-M295 PolarHBondContact O-N 2.5Å; V269-V425 HydrophobicContact CG2-CG2 4.09Å
270P98.4Very high94.6Very high7 Ų719.4 Ų19.45%0.04513%0.129CC..EExtended strand (participates in β ladder)trans-68.9124.4168.729.7-29.1000108.9M295 H403 A407 V425 T427P270-M295 CarbonylContact C-O 3.53Å; P270-M295 WeakPolarHBondContact CA-O 3.35Å; P270-H403 WeakPolarHBondContact CB-O 2.94Å; P270-A407 HydrophobicContact CB-CB 4.27Å; P270-A407 HydrophobicContact CG-CB 4.23Å; P270-V425 WeakPolarHBondContact CD-O 3.35Å; P270-T427 HydrophobicContact CG-CG2 3.66Å
271T97.9Very high96Very high5 Ų517.5 Ų17.53%0.03111%0.107CC..  trans-122.9128.1-162.6-62.30000111V269 A274 I277 A294 M295 V302V269-T271 PolarHBondContact O-N 3.29Å; V269-T271 PolarHBondContact O-OG1 3.4Å; T271-A274 HydrophobicContact CG2-CB 4.39Å; T271-I277 HydrophobicContact CG2-CG2 3.93Å; T271-A294 HydrophobicContact CG2-CB 4.33Å; T271-A294 WeakPolarHBondContact OG1-CB 3.43Å; T271-M295 PolarHBondContact N-O 3.26Å; T271-V302 HydrophobicContact CG2-CG1 4.45Å; T271-V302 HydrophobicContact CG2-CG2 4.28Å
272G93.8Very high96.7Very high10 Ų1011.4 Ų11.410%0.1037%0.067CC..SBendtrans-124.2-96.6168.300000109.2A274 P330G272-A274 PolarHBondContact O-N 3.43Å; G272-P330 WeakPolarHBondContact O-CB 3.42Å
273G93.4Very high97.1Very high13 Ų139.6 Ų9.613%0.1346%0.058CC..SBendtrans-65.411.6178.400000116.5G275 N332G273-G275 PolarHBondContact O-N 2.95Å; G273-N332 VanDerWaalsContact O-CB 3.31Å; G273-N332 WeakPolarHBondContact O-CB 3.29Å; G273-N332 PolarHBondContact O-N 3.49Å; G273-N332 PolarHBondContact O-ND2 3.35Å
274A96.3Very high97.4Very high3 Ų39.5 Ų9.53%0.0256%0.057CC..SBendtrans57.24.217600000118.6T271 G272 N276 I277 A278 P330 N332 M333T271-A274 HydrophobicContact CG2-CB 4.39Å; G272-A274 PolarHBondContact O-N 3.43Å; A274-N276 PolarHBondContact O-N 3.47Å; A274-I277 HydrophobicContact CB-CG2 3.91Å; A274-I277 WeakPolarHBondContact O-CG2 3.46Å; A274-I277 PolarHBondContact O-N 2.83Å; A274-A278 VanDerWaalsContact O-CB 3.25Å; A274-A278 WeakPolarHBondContact O-CB 3.24Å; A274-A278 PolarHBondContact O-N 3.12Å; A274-P330 HydrophobicContact CB-CB 4.18Å; A274-N332 HydrophobicContact CB-CB 3.96Å; A274-M333 HydrophobicContact CB-CG 3.88Å; A274-M333 HydrophobicContact CB-SD 3.98Å
275G96.5Very high97.5Very high5 Ų510 Ų105%0.0526%0.055CC..Hα-helixtrans-60.5-44.2-179.200000113.4Q231 G273 A278 A279 N332Q231-G275 PolarHBondContact OE1-O 2.82Å; G273-G275 PolarHBondContact O-N 2.95Å; G275-A278 PolarHBondContact O-N 2.91Å; G275-A279 PolarHBondContact O-N 3.48Å; G275-N332 VanDerWaalsContact CA-CG 3.46Å
276N97.3Very high97.6Very high12 Ų1210 Ų106%0.0646%0.055CC..Hα-helixtrans-68.2-43.6-178.2-160.24000112.3F112 H234 F235 V269 A274 A278 A279 A280F112-N276 HydrophobicContact CE2-CB 4.08Å; F112-N276 HydrophobicContact CZ-CB 4.32Å; H234-N276 PolarHBondContact CE1-OD1 2.97Å; H234-N276 PolarHBondContact NE2-OD1 2.8Å; H234-N276 VanDerWaalsContact NE2-OD1 3.07Å; F235-N276 WeakPolarHBondContact CE2-O 3.4Å; F235-N276 WeakPolarHBondContact CE2-OD1 3.38Å; F235-N276 VanDerWaalsContact CZ-O 3.26Å; F235-N276 WeakPolarHBondContact CZ-O 3.1Å; F235-N276 WeakPolarHBondContact CZ-OD1 3.3Å; V269-N276 HydrophobicContact CG1-CB 3.95Å; A274-N276 PolarHBondContact O-N 3.47Å; N276-A278 VanDerWaalsContact C-N 3.33Å; N276-A278 PolarHBondContact O-N 2.92Å; N276-A279 WeakPolarHBondContact O-CB 3.32Å; N276-A279 PolarHBondContact O-N 2.9Å; N276-A280 PolarHBondContact O-N 3.2Å; N276-A280 VanDerWaalsContact O-N 3.08Å
277I97.9Very high97.5Very high3 Ų311.6 Ų11.62%0.0157%0.073CC..Hα-helixtrans-69.3-32.2176.1-164.472.1000111.9V269 T271 A274 A280 F281 L292 A294 L375V269-I277 HydrophobicContact CB-CD1 4.02Å; V269-I277 HydrophobicContact CG2-CD1 3.9Å; T271-I277 HydrophobicContact CG2-CG2 3.93Å; A274-I277 HydrophobicContact CB-CG2 3.91Å; A274-I277 WeakPolarHBondContact O-CG2 3.46Å; A274-I277 PolarHBondContact O-N 2.83Å; I277-A280 HydrophobicContact CD1-CB 4.4Å; I277-A280 WeakPolarHBondContact O-CB 3.46Å; I277-A280 PolarHBondContact O-N 3.13Å; I277-F281 PolarHBondContact O-N 3.19Å; I277-L292 HydrophobicContact CD1-CB 4.22Å; I277-A294 HydrophobicContact CD1-CB 4.16Å; I277-A294 HydrophobicContact CG1-CB 4.12Å; I277-L375 HydrophobicContact CD1-CD1 3.84Å; I277-L375 HydrophobicContact CG1-CD1 3.84Å
278A98.3Very high97.5Very high1 Ų111.7 Ų11.71%0.0087%0.074CC..Hα-helixtrans-64.1-41.2172.600000111.6A274 G275 N276 A280 F281 I282 N332 R335 V336A274-A278 VanDerWaalsContact O-CB 3.25Å; A274-A278 WeakPolarHBondContact O-CB 3.24Å; A274-A278 PolarHBondContact O-N 3.12Å; G275-A278 PolarHBondContact O-N 2.91Å; N276-A278 VanDerWaalsContact C-N 3.33Å; N276-A278 PolarHBondContact O-N 2.92Å; A278-A280 VanDerWaalsContact C-N 3.32Å; A278-A280 PolarHBondContact O-N 3.05Å; A278-F281 PolarHBondContact O-N 2.98Å; A278-I282 VanDerWaalsContact O-CG1 3.29Å; A278-I282 WeakPolarHBondContact O-CG1 3.34Å; A278-I282 PolarHBondContact O-N 3.22Å; A278-N332 HydrophobicContact CB-CB 4.22Å; A278-R335 HydrophobicContact CB-CB 4.41Å; A278-V336 HydrophobicContact CB-CG2 4.01Å
279A98.6Very high97.3Very high0 Ų013.3 Ų13.30%08%0.084CC..Hα-helixtrans-60.9-39.417200000112.4V228 Q231 V232 F235 G275 N276 F281 I282 A283V228-A279 HydrophobicContact CG1-CB 4Å; Q231-A279 HydrophobicContact CB-CB 3.55Å; V232-A279 HydrophobicContact CG2-CB 4.08Å; F235-A279 HydrophobicContact CD2-CB 4.3Å; F235-A279 HydrophobicContact CE2-CB 3.87Å; G275-A279 PolarHBondContact O-N 3.48Å; N276-A279 WeakPolarHBondContact O-CB 3.32Å; N276-A279 PolarHBondContact O-N 2.9Å; A279-F281 VanDerWaalsContact C-N 3.34Å; A279-F281 PolarHBondContact O-N 3.17Å; A279-I282 WeakPolarHBondContact O-CB 3.48Å; A279-I282 PolarHBondContact O-N 3.25Å; A279-A283 PolarHBondContact O-N 2.85Å
280A98.5Very high97.3Very high0 Ų014 Ų140%09%0.088CC..Hα-helixtrans-62.2-42.617400000111.9F235 N276 I277 A278 A283 V284 L292F235-A280 HydrophobicContact CD1-CB 3.88Å; F235-A280 HydrophobicContact CD2-CB 4.01Å; F235-A280 HydrophobicContact CE1-CB 3.52Å; F235-A280 HydrophobicContact CE2-CB 3.66Å; F235-A280 VanDerWaalsContact CE2-N 3.27Å; F235-A280 HydrophobicContact CG-CB 4.1Å; F235-A280 HydrophobicContact CZ-CB 3.39Å; N276-A280 PolarHBondContact O-N 3.2Å; N276-A280 VanDerWaalsContact O-N 3.08Å; I277-A280 HydrophobicContact CD1-CB 4.4Å; I277-A280 WeakPolarHBondContact O-CB 3.46Å; I277-A280 PolarHBondContact O-N 3.13Å; A278-A280 VanDerWaalsContact C-N 3.32Å; A278-A280 PolarHBondContact O-N 3.05Å; A280-A283 WeakPolarHBondContact O-CB 3.23Å; A280-A283 PolarHBondContact O-N 3.39Å; A280-V284 PolarHBondContact O-N 2.91Å; A280-L292 HydrophobicContact CB-CD1 4.08Å; A280-L292 HydrophobicContact CB-CD2 3.61Å; A280-L292 HydrophobicContact CB-CG 4.49Å
281F98.4Very high97.2Very high10 Ų1016.6 Ų16.64%0.04410%0.098CC..Hα-helixtrans-68.5-35.6178-172.8-139.1000112.4I277 A278 A279 A283 V284 R285 L292 V336 L339 V374I277-F281 PolarHBondContact O-N 3.19Å; A278-F281 PolarHBondContact O-N 2.98Å; A279-F281 VanDerWaalsContact C-N 3.34Å; A279-F281 PolarHBondContact O-N 3.17Å; F281-A283 VanDerWaalsContact C-N 3.34Å; F281-V284 HydrophobicContact CD2-CB 4.41Å; F281-V284 WeakPolarHBondContact O-CB 3.46Å; F281-V284 PolarHBondContact O-N 3.36Å; F281-R285 HydrophobicContact CD2-CG 4.44Å; F281-R285 HydrophobicContact CE2-CG 4.21Å; F281-R285 HydrophobicContact CZ-CG 4.4Å; F281-R285 WeakPolarHBondContact O-CG 3.29Å; F281-R285 PolarHBondContact O-N 2.84Å; F281-L292 HydrophobicContact CB-CD1 3.96Å; F281-L292 HydrophobicContact CD2-CD1 4.32Å; F281-V336 HydrophobicContact CD1-CB 4.36Å; F281-V336 HydrophobicContact CD1-CG1 3.94Å; F281-V336 HydrophobicContact CD1-CG2 4.39Å; F281-V336 HydrophobicContact CE1-CG1 4.06Å; F281-L339 HydrophobicContact CD1-CB 3.99Å; F281-L339 HydrophobicContact CD1-CD1 3.79Å; F281-L339 HydrophobicContact CE1-CB 3.48Å; F281-L339 VanDerWaalsContact CE1-CB 3.48Å; F281-L339 HydrophobicContact CE1-CD1 4.15Å; F281-L339 HydrophobicContact CE1-CG 4.48Å; F281-L339 HydrophobicContact CZ-CB 4.26Å; F281-V374 HydrophobicContact CE2-CB 3.95Å; F281-V374 HydrophobicContact CE2-CG1 4.08Å; F281-V374 HydrophobicContact CE2-CG2 3.9Å; F281-V374 HydrophobicContact CZ-CG2 4.13Å
282I98.6Very high97.2Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-59-46.5169.4-70.5160000110.1M31 L35 W225 V228 V232 A278 A279 V284 R285 M286 L339M31-I282 HydrophobicContact CE-CD1 3.91Å; M31-I282 HydrophobicContact CE-CG1 4.03Å; M31-I282 HydrophobicContact SD-CD1 4.32Å; L35-I282 HydrophobicContact CD2-CG2 3.85Å; W225-I282 HydrophobicContact CH2-CD1 4.19Å; W225-I282 HydrophobicContact CZ3-CD1 3.84Å; V228-I282 HydrophobicContact CG1-CD1 3.55Å; V232-I282 HydrophobicContact CG2-CB 4.05Å; V232-I282 HydrophobicContact CG2-CG2 3.71Å; A278-I282 VanDerWaalsContact O-CG1 3.29Å; A278-I282 WeakPolarHBondContact O-CG1 3.34Å; A278-I282 PolarHBondContact O-N 3.22Å; A279-I282 WeakPolarHBondContact O-CB 3.48Å; A279-I282 PolarHBondContact O-N 3.25Å; I282-V284 VanDerWaalsContact C-N 3.32Å; I282-V284 PolarHBondContact O-N 3.23Å; I282-R285 CarbonylContact O-C 3.54Å; I282-R285 WeakPolarHBondContact O-CA 3.44Å; I282-R285 PolarHBondContact O-N 3.34Å; I282-M286 HydrophobicContact CG2-CG 4.3Å; I282-M286 HydrophobicContact CG2-SD 3.79Å; I282-M286 VanDerWaalsContact O-CG 3.27Å; I282-M286 WeakPolarHBondContact O-CG 3.08Å; I282-M286 PolarHBondContact O-N 3.45Å; I282-L339 HydrophobicContact CG1-CD1 3.72Å
283A98.5Very high97.4Very high0 Ų016 Ų160%09%0.093CC..Hα-helixtrans-58.6-43176.900000112V232 F235 F236 A279 A280 F281 R285 M286 G287 L288 L290V232-A283 HydrophobicContact CG1-CB 4.19Å; F235-A283 HydrophobicContact CB-CB 4.12Å; F236-A283 HydrophobicContact CD2-CB 4.32Å; F236-A283 HydrophobicContact CE2-CB 3.98Å; A279-A283 PolarHBondContact O-N 2.85Å; A280-A283 WeakPolarHBondContact O-CB 3.23Å; A280-A283 PolarHBondContact O-N 3.39Å; F281-A283 VanDerWaalsContact C-N 3.34Å; A283-R285 VanDerWaalsContact C-N 3.32Å; A283-R285 PolarHBondContact O-N 2.84Å; A283-M286 WeakPolarHBondContact O-CB 3.27Å; A283-M286 PolarHBondContact O-N 2.88Å; A283-M286 VanDerWaalsContact O-N 3.1Å; A283-G287 PolarHBondContact O-N 3.07Å; A283-L288 HydrophobicContact CB-CB 4.31Å; A283-L288 HydrophobicContact CB-CD2 4.15Å; A283-L288 VanDerWaalsContact O-CB 3.29Å; A283-L288 WeakPolarHBondContact O-CB 3.11Å; A283-L288 PolarHBondContact O-N 2.94Å; A283-L288 VanDerWaalsContact O-N 3.11Å; A283-L290 HydrophobicContact CB-CD1 4.21Å
284V98Very high97.7Very high42 Ų4215.4 Ų15.426%0.2559%0.086SC..Hα-helixtrans-56.3-47.2172.9172.70000111.2A280 F281 I282 M286 G287 L288 L290 L292A280-V284 PolarHBondContact O-N 2.91Å; F281-V284 HydrophobicContact CD2-CB 4.41Å; F281-V284 WeakPolarHBondContact O-CB 3.46Å; F281-V284 PolarHBondContact O-N 3.36Å; I282-V284 VanDerWaalsContact C-N 3.32Å; I282-V284 PolarHBondContact O-N 3.23Å; V284-M286 PolarHBondContact O-N 3.36Å; V284-G287 PolarHBondContact O-N 2.86Å; V284-L288 WeakPolarHBondContact CA-O 3.29Å; V284-L290 HydrophobicContact CG2-CB 3.71Å; V284-L290 HydrophobicContact CG2-CD1 4.35Å; V284-L290 HydrophobicContact CG2-CG 4.26Å; V284-L292 HydrophobicContact CG2-CD1 4.01Å; V284-L292 HydrophobicContact CG2-CD2 4.24Å; V284-L292 HydrophobicContact CG2-CG 4.12Å
285R97.7Very high97.8Very high93 Ų9315.4 Ų15.435%0.3519%0.086SC..Hα-helixtrans-68.2-19.6179-66.8-62-61.4-84.54.1113.9L35 F281 I282 A283 G287 L339 D342L35-R285 HydrophobicContact CD1-CB 3.51Å; L35-R285 HydrophobicContact CD1-CG 4.43Å; F281-R285 HydrophobicContact CD2-CG 4.44Å; F281-R285 HydrophobicContact CE2-CG 4.21Å; F281-R285 HydrophobicContact CZ-CG 4.4Å; F281-R285 WeakPolarHBondContact O-CG 3.29Å; F281-R285 PolarHBondContact O-N 2.84Å; I282-R285 CarbonylContact O-C 3.54Å; I282-R285 WeakPolarHBondContact O-CA 3.44Å; I282-R285 PolarHBondContact O-N 3.34Å; A283-R285 VanDerWaalsContact C-N 3.32Å; A283-R285 PolarHBondContact O-N 2.84Å; R285-G287 VanDerWaalsContact C-N 3.33Å; R285-L339 HydrophobicContact CG-CD1 4.39Å; R285-L339 PolarHBondContact NH1-O 3.34Å; R285-D342 IonicContact NH2-OD1 3.68Å
286M98.1Very high97.9Very high1 Ų115.2 Ų15.21%0.0058%0.083CC..THydrogen-bonded Turntrans-82.5-6.8171.4-65.5168.367.100113.1P36 A37 V38 L61 F62 V232 F236 I282 A283 V284P36-M286 HydrophobicContact CG-CE 4.24Å; P36-M286 WeakPolarHBondContact O-CB 3.32Å; P36-M286 WeakPolarHBondContact O-CG 3.48Å; A37-M286 CarbonylContact C-O 3.58Å; A37-M286 WeakPolarHBondContact CA-O 3.47Å; V38-M286 HydrophobicContact CG2-CE 4.11Å; V38-M286 PolarHBondContact N-O 3.13Å; L61-M286 HydrophobicContact CD1-CE 3.83Å; F62-M286 HydrophobicContact CE2-CE 3.87Å; F62-M286 HydrophobicContact CE2-SD 4.17Å; F62-M286 HydrophobicContact CZ-CE 3.78Å; F62-M286 HydrophobicContact CZ-SD 3.72Å; V232-M286 HydrophobicContact CG1-CE 4.39Å; V232-M286 HydrophobicContact CG1-SD 3.72Å; F236-M286 HydrophobicContact CE2-CE 3.9Å; F236-M286 HydrophobicContact CE2-SD 4.07Å; F236-M286 HydrophobicContact CZ-CB 4.24Å; F236-M286 HydrophobicContact CZ-CE 3.72Å; F236-M286 HydrophobicContact CZ-SD 4.3Å; I282-M286 HydrophobicContact CG2-CG 4.3Å; I282-M286 HydrophobicContact CG2-SD 3.79Å; I282-M286 VanDerWaalsContact O-CG 3.27Å; I282-M286 WeakPolarHBondContact O-CG 3.08Å; I282-M286 PolarHBondContact O-N 3.45Å; A283-M286 WeakPolarHBondContact O-CB 3.27Å; A283-M286 PolarHBondContact O-N 2.88Å; A283-M286 VanDerWaalsContact O-N 3.1Å; V284-M286 PolarHBondContact O-N 3.36Å
287G96.2Very high97.9Very high39 Ų3914.6 Ų14.640%0.4028%0.08SC..THydrogen-bonded Turntrans112.86.1177.400000115.2A283 V284 R285A283-G287 PolarHBondContact O-N 3.07Å; V284-G287 PolarHBondContact O-N 2.86Å; R285-G287 VanDerWaalsContact C-N 3.33Å
288L96.9Very high97.9Very high2 Ų216.8 Ų16.81%0.0110%0.099CC..  trans-79.7122.6177.3-123.671.5000111.3L43 F236 Y239 A283 V284 L290L43-L288 HydrophobicContact CD1-CD1 3.81Å; L43-L288 HydrophobicContact CD2-CD1 3.34Å; L43-L288 HydrophobicContact CG-CD1 4.22Å; F236-L288 HydrophobicContact CB-CD2 4.48Å; F236-L288 HydrophobicContact CD1-CD1 3.55Å; F236-L288 HydrophobicContact CD1-CD2 4.24Å; F236-L288 HydrophobicContact CD2-CD1 4.4Å; F236-L288 HydrophobicContact CD2-CD2 3.97Å; F236-L288 HydrophobicContact CE1-CD1 3.29Å; F236-L288 HydrophobicContact CE2-CD1 4.18Å; F236-L288 HydrophobicContact CE2-CD2 4.25Å; F236-L288 HydrophobicContact CG-CD1 4.13Å; F236-L288 HydrophobicContact CG-CD2 3.98Å; F236-L288 HydrophobicContact CZ-CD1 3.64Å; Y239-L288 HydrophobicContact CD1-CD1 4.44Å; Y239-L288 HydrophobicContact CD1-CG 4.21Å; Y239-L288 HydrophobicContact CD2-CG 4.43Å; Y239-L288 HydrophobicContact CG-CD2 4.08Å; Y239-L288 HydrophobicContact CG-CG 3.99Å; A283-L288 HydrophobicContact CB-CB 4.31Å; A283-L288 HydrophobicContact CB-CD2 4.15Å; A283-L288 VanDerWaalsContact O-CB 3.29Å; A283-L288 WeakPolarHBondContact O-CB 3.11Å; A283-L288 PolarHBondContact O-N 2.94Å; A283-L288 VanDerWaalsContact O-N 3.11Å; V284-L288 WeakPolarHBondContact CA-O 3.29Å; L288-L290 VanDerWaalsContact C-N 3.28Å; L288-L290 HydrophobicContact CB-CD1 4.43Å; L288-L290 HydrophobicContact CB-CG 4.1Å; L288-L290 HydrophobicContact CD2-CD1 4.13Å; L288-L290 HydrophobicContact CD2-CD2 4.23Å; L288-L290 HydrophobicContact CD2-CG 4.27Å; L288-L290 PolarHBondContact O-N 2.98Å
289P96.1Very high97.9Very high34 Ų3417 Ų1722%0.22110%0.1CC..  trans-79.380.918030.7-31.3000110.1Y239 L262 P263 E264 L265Y239-P289 HydrophobicContact CE2-CG 3.53Å; Y239-P289 VanDerWaalsContact OH-CG 3.23Å; Y239-P289 WeakPolarHBondContact OH-CG 2.86Å; L262-P289 HydrophobicContact CB-CG 3.78Å; L262-P289 HydrophobicContact CD1-CG 4.27Å; P263-P289 WeakPolarHBondContact O-CG 3.29Å; E264-P289 WeakPolarHBondContact CA-O 3.39Å; L265-P289 PolarHBondContact N-O 3.04Å
290L97.3Very high97.8Very high14 Ų1419 Ų197%0.07311%0.111CC..EExtended strand (participates in β ladder)trans-108.5135.9175.3-49177.9000110.7F235 Y239 L265 V267 A283 V284 L288 L292F235-L290 HydrophobicContact CB-CD1 4.07Å; F235-L290 HydrophobicContact CD1-CD1 4.48Å; Y239-L290 HydrophobicContact CD2-CD2 3.69Å; Y239-L290 HydrophobicContact CG-CD2 4.36Å; L265-L290 HydrophobicContact CB-CD2 3.98Å; L265-L290 HydrophobicContact CD2-CD2 4.3Å; L265-L290 HydrophobicContact CG-CD2 4.49Å; L265-L290 CarbonylContact O-C 3.58Å; L265-L290 VanDerWaalsContact O-CA 3.28Å; L265-L290 WeakPolarHBondContact O-CA 3.5Å; V267-L290 HydrophobicContact CG2-CD1 4.42Å; V267-L290 HydrophobicContact CG2-CD2 4.01Å; A283-L290 HydrophobicContact CB-CD1 4.21Å; V284-L290 HydrophobicContact CG2-CB 3.71Å; V284-L290 HydrophobicContact CG2-CD1 4.35Å; V284-L290 HydrophobicContact CG2-CG 4.26Å; L288-L290 VanDerWaalsContact C-N 3.28Å; L288-L290 HydrophobicContact CB-CD1 4.43Å; L288-L290 HydrophobicContact CB-CG 4.1Å; L288-L290 HydrophobicContact CD2-CD1 4.13Å; L288-L290 HydrophobicContact CD2-CD2 4.23Å; L288-L290 HydrophobicContact CD2-CG 4.27Å; L288-L290 PolarHBondContact O-N 2.98Å; L290-L292 HydrophobicContact CB-CD2 3.78Å; L290-L292 HydrophobicContact CD1-CD2 4.21Å
291K96.8Very high97.8Very high61 Ų6119.1 Ų19.127%0.26511%0.111SC..EExtended strand (participates in β ladder)trans-94.9121.5160.9179174.8176.6-152.90109.2E264 L265 E266 V267E264-K291 HydrophobicContact CG-CB 4.27Å; L265-K291 PolarHBondContact O-N 3.2Å; E266-K291 CarbonylContact C-O 3.52Å; E266-K291 VanDerWaalsContact CA-O 3.28Å; E266-K291 WeakPolarHBondContact CA-O 3.5Å; E266-K291 HydrophobicContact CB-CB 4.15Å; E266-K291 HydrophobicContact CG-CB 4.49Å; E266-K291 HydrophobicContact CG-CD 4.43Å; E266-K291 HydrophobicContact CG-CG 4.39Å; E266-K291 WeakPolarHBondContact OE1-CD 3.37Å; E266-K291 VanDerWaalsContact OE1-CE 3.3Å; E266-K291 WeakPolarHBondContact OE1-CE 3.34Å; E266-K291 IonicContact OE1-NZ 2.77Å; E266-K291 PolarHBondContact OE1-NZ 3.41Å; V267-K291 PolarHBondContact N-O 2.72Å
292L98.4Very high97.8Very high3 Ų318.8 Ų18.82%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-97.7135.2-171.9-55.8-176.9000112.3I277 A280 F281 V284 L290 L375 V376I277-L292 HydrophobicContact CD1-CB 4.22Å; A280-L292 HydrophobicContact CB-CD1 4.08Å; A280-L292 HydrophobicContact CB-CD2 3.61Å; A280-L292 HydrophobicContact CB-CG 4.49Å; F281-L292 HydrophobicContact CB-CD1 3.96Å; F281-L292 HydrophobicContact CD2-CD1 4.32Å; V284-L292 HydrophobicContact CG2-CD1 4.01Å; V284-L292 HydrophobicContact CG2-CD2 4.24Å; V284-L292 HydrophobicContact CG2-CG 4.12Å; L290-L292 HydrophobicContact CB-CD2 3.78Å; L290-L292 HydrophobicContact CD1-CD2 4.21Å; L292-L375 HydrophobicContact CB-CD1 3.84Å; L292-V376 PolarHBondContact O-N 2.67Å
293V98.4Very high97.8Very high1 Ų120.9 Ų20.91%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-127.6116.9172.4-171.10000109.6E266 V267 V268 V269 M295 V376E266-V293 HydrophobicContact CG-CG2 3.86Å; V267-V293 PolarHBondContact O-N 3.42Å; V268-V293 WeakPolarHBondContact CA-O 3.24Å; V268-V293 HydrophobicContact CB-CB 4.33Å; V268-V293 HydrophobicContact CG1-CB 4.12Å; V268-V293 HydrophobicContact CG1-CG1 4.12Å; V268-V293 HydrophobicContact CG2-CB 4.08Å; V268-V293 HydrophobicContact CG2-CG2 4.22Å; V269-V293 PolarHBondContact N-O 3.31Å; V293-M295 HydrophobicContact CG1-CG 4.21Å; V293-M295 HydrophobicContact CG1-SD 3.87Å; V293-V376 CarbonylContact C-O 3.59Å; V293-V376 VanDerWaalsContact CA-O 3.28Å; V293-V376 WeakPolarHBondContact CA-O 3.48Å; V293-V376 HydrophobicContact CG1-CB 4.46Å; V293-V376 HydrophobicContact CG1-CG1 4.38Å; V293-V376 HydrophobicContact CG2-CB 4.22Å
294A98.6Very high97.7Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-97.4117.4171.100000110.8T271 I277 V302 L375 V376 T377 G378T271-A294 HydrophobicContact CG2-CB 4.33Å; T271-A294 WeakPolarHBondContact OG1-CB 3.43Å; I277-A294 HydrophobicContact CD1-CB 4.16Å; I277-A294 HydrophobicContact CG1-CB 4.12Å; A294-V302 HydrophobicContact CB-CG1 4.39Å; A294-L375 HydrophobicContact CB-CD1 3.92Å; A294-L375 HydrophobicContact CB-CD2 4.43Å; A294-L375 HydrophobicContact CB-CG 4.5Å; A294-V376 PolarHBondContact N-O 2.92Å; A294-T377 HydrophobicContact CB-CG2 4.2Å; A294-T377 WeakPolarHBondContact O-CA 3.47Å; A294-G378 PolarHBondContact O-N 2.68Å
295M98.6Very high97.7Very high2 Ų221 Ų211%0.0112%0.115CC..EExtended strand (participates in β ladder)trans-103.4124.8175.9-62.2-59.5-6000109.6V268 V269 P270 T271 V293 G378 V380 V406 W409 H410V268-M295 HydrophobicContact CG1-CG 3.52Å; V269-M295 PolarHBondContact O-N 2.5Å; P270-M295 CarbonylContact C-O 3.53Å; P270-M295 WeakPolarHBondContact CA-O 3.35Å; T271-M295 PolarHBondContact N-O 3.26Å; V293-M295 HydrophobicContact CG1-CG 4.21Å; V293-M295 HydrophobicContact CG1-SD 3.87Å; M295-G378 WeakPolarHBondContact CA-O 3.41Å; M295-V380 HydrophobicContact CE-CG2 3.6Å; M295-V406 HydrophobicContact CB-CG1 3.75Å; M295-V406 WeakPolarHBondContact CB-O 3.17Å; M295-W409 HydrophobicContact CE-CE3 3.77Å; M295-W409 HydrophobicContact CE-CZ3 4.32Å; M295-H410 HydrophobicContact CE-CB 4.4Å; M295-H410 HydrophobicContact CG-CB 4.36Å; M295-H410 HydrophobicContact SD-CB 4.11Å
296V98.6Very high97.7Very high1 Ų116.9 Ų16.91%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-113.6164.8179.5-59.60000110.4D300 V302 H303 G378 A379 V380V296-D300 HydrophobicContact CG2-CB 4.04Å; V296-V302 HydrophobicContact CG1-CB 4.05Å; V296-H303 HydrophobicContact CG2-CB 3.75Å; V296-G378 WeakPolarHBondContact CG2-O 3.41Å; V296-G378 PolarHBondContact N-O 3.45Å; V296-A379 HydrophobicContact CG2-CB 3.85Å; V296-A379 CarbonylContact O-C 3.42Å; V296-A379 WeakPolarHBondContact O-CA 3.37Å; V296-V380 PolarHBondContact O-N 3.15Å
297N97.9Very high97.7Very high0 Ų020.1 Ų20.10%012%0.121CC..  trans-90.3-151.1169.666.116000110.4N299 T320 I325 D326 V380N297-N299 PolarHBondContact O-N 3.24Å; N297-N299 WeakPolarHBondContact OD1-CB 3.5Å; N297-N299 PolarHBondContact OD1-N 3.28Å; N297-N299 PolarHBondContact OD1-ND2 3.46Å; N297-N299 VanDerWaalsContact OD1-ND2 3.15Å; N297-T320 HydrophobicContact CB-CG2 4.25Å; N297-T320 PolarHBondContact ND2-OG1 3.22Å; N297-I325 HydrophobicContact CB-CD1 4.14Å; N297-I325 WeakPolarHBondContact ND2-CG1 3.41Å; N297-D326 PolarHBondContact ND2-OD1 3.19Å; N297-V380 CarbonylContact C-O 3.57Å; N297-V380 VanDerWaalsContact CA-O 3.25Å; N297-V380 WeakPolarHBondContact CA-O 3.38Å
298A97.6Very high97.8Very high49 Ų4920.4 Ų20.441%0.40512%0.116SC..SBendtrans-61.1-19.6175.900000114.2D300 T318 T320A298-D300 PolarHBondContact O-N 2.96Å; A298-T318 HydrophobicContact CB-CG2 4.17Å; A298-T320 HydrophobicContact CB-CG2 4.02Å
299N97.6Very high97.8Very high4 Ų420.3 Ų20.32%0.02112%0.116CC..  trans-85.184.1173.2-58.5-82.4000109N297 T318 D326 Q328N297-N299 PolarHBondContact O-N 3.24Å; N297-N299 WeakPolarHBondContact OD1-CB 3.5Å; N297-N299 PolarHBondContact OD1-N 3.28Å; N297-N299 PolarHBondContact OD1-ND2 3.46Å; N297-N299 VanDerWaalsContact OD1-ND2 3.15Å; N299-T318 PolarHBondContact ND2-O 2.79Å; N299-T318 PolarHBondContact OD1-N 3.41Å; N299-D326 WeakPolarHBondContact ND2-CA 3.38Å; N299-D326 PolarHBondContact ND2-OD1 3.02Å; N299-D326 VanDerWaalsContact ND2-OD1 3.14Å; N299-Q328 PolarHBondContact OD1-NE2 2.97Å
300D97.6Very high97.9Very high44 Ų4420.7 Ų20.724%0.23512%0.116CC..  trans-103.417-156.374.3-14.6000115.3V296 A298 V302 H303 R304 A379V296-D300 HydrophobicContact CG2-CB 4.04Å; A298-D300 PolarHBondContact O-N 2.96Å; D300-V302 VanDerWaalsContact C-N 3.26Å; D300-V302 PolarHBondContact O-N 3.24Å; D300-V302 VanDerWaalsContact O-N 3.16Å; D300-H303 HydrophobicContact CB-CB 4.33Å; D300-H303 WeakPolarHBondContact O-CA 3.35Å; D300-H303 WeakPolarHBondContact O-CB 3.22Å; D300-H303 PolarHBondContact O-N 3.1Å; D300-R304 PolarHBondContact O-N 3.33Å; D300-R304 IonicContact OD1-CZ 3.79Å; D300-R304 IonicContact OD1-NE 3.18Å; D300-R304 PolarHBondContact OD1-NE 2.9Å; D300-R304 IonicContact OD1-NH2 2.98Å; D300-R304 IonicContact OD2-NE 3.11Å; D300-A379 HydrophobicContact CB-CB 4.22Å
301I97.9Very high97.9Very high2 Ų220.1 Ų20.11%0.0111%0.113CC..Hα-helixtrans-52.4-41.7-175.2-175174.2000112.9H303 R304 T305 F311 S312 Q328 P330 F355I301-H303 VanDerWaalsContact C-N 3.34Å; I301-H303 PolarHBondContact O-N 2.73Å; I301-R304 PolarHBondContact O-N 3.3Å; I301-T305 WeakPolarHBondContact O-CB 3.44Å; I301-T305 PolarHBondContact O-N 3.3Å; I301-T305 PolarHBondContact O-OG1 3.25Å; I301-F311 HydrophobicContact CD1-CD2 4Å; I301-F311 HydrophobicContact CD1-CE2 4.1Å; I301-F311 HydrophobicContact CD1-CG 4.29Å; I301-F311 HydrophobicContact CD1-CZ 4.46Å; I301-F311 HydrophobicContact CG1-CD2 3.95Å; I301-F311 HydrophobicContact CG1-CE2 4.3Å; I301-F311 HydrophobicContact CG1-CG 4.47Å; I301-S312 WeakPolarHBondContact CD1-O 3.26Å; I301-S312 WeakPolarHBondContact CG1-O 3.19Å; I301-Q328 WeakPolarHBondContact CD1-O 3.45Å; I301-P330 HydrophobicContact CD1-CG 4.45Å; I301-P330 HydrophobicContact CG2-CG 3.8Å; I301-F355 HydrophobicContact CD1-CE2 4.26Å; I301-F355 HydrophobicContact CD1-CZ 4.28Å
302V97.9Very high97.9Very high3 Ų318 Ų182%0.01811%0.106CC..Hα-helixtrans-63.7-40.6176.5178.10000111T271 A294 V296 D300 T305 V306 P330 M333T271-V302 HydrophobicContact CG2-CG1 4.45Å; T271-V302 HydrophobicContact CG2-CG2 4.28Å; A294-V302 HydrophobicContact CB-CG1 4.39Å; V296-V302 HydrophobicContact CG1-CB 4.05Å; D300-V302 VanDerWaalsContact C-N 3.26Å; D300-V302 PolarHBondContact O-N 3.24Å; D300-V302 VanDerWaalsContact O-N 3.16Å; V302-T305 PolarHBondContact O-N 2.63Å; V302-V306 WeakPolarHBondContact O-CG2 3.38Å; V302-V306 PolarHBondContact O-N 3.21Å; V302-P330 HydrophobicContact CG2-CB 3.92Å; V302-P330 HydrophobicContact CG2-CG 4.07Å; V302-M333 HydrophobicContact CG1-SD 4.3Å; V302-M333 HydrophobicContact CG2-CG 4.32Å; V302-M333 HydrophobicContact CG2-SD 4.39Å
303H98.1Very high97.8Very high44 Ų4419.9 Ų19.920%0.20412%0.115CC..Hα-helixtrans-65.5-46.4177.6176.858.5000112V296 D300 I301 T305 V306 T307 T377V296-H303 HydrophobicContact CG2-CB 3.75Å; D300-H303 HydrophobicContact CB-CB 4.33Å; D300-H303 WeakPolarHBondContact O-CA 3.35Å; D300-H303 WeakPolarHBondContact O-CB 3.22Å; D300-H303 PolarHBondContact O-N 3.1Å; I301-H303 VanDerWaalsContact C-N 3.34Å; I301-H303 PolarHBondContact O-N 2.73Å; H303-T305 VanDerWaalsContact C-N 3.27Å; H303-T305 PolarHBondContact O-N 3.11Å; H303-V306 PolarHBondContact O-N 2.98Å; H303-T307 WeakPolarHBondContact CE1-CG2 3.43Å; H303-T307 WeakPolarHBondContact O-CB 3.25Å; H303-T307 WeakPolarHBondContact O-CG2 3.46Å; H303-T307 PolarHBondContact O-N 3.06Å; H303-T307 PolarHBondContact O-OG1 3.01Å; H303-T377 WeakPolarHBondContact ND1-CB 3.39Å; H303-T377 PolarHBondContact ND1-OG1 3.47Å
304R98.2Very high97.6Very high44 Ų4421.6 Ų21.617%0.16613%0.13CC..Hα-helixtrans-63.4-32.7177.1-74.1-171.1-69.8112.12.5113.1D300 I301 T307 S308 G309 D310 S312D300-R304 PolarHBondContact O-N 3.33Å; D300-R304 IonicContact OD1-CZ 3.79Å; D300-R304 IonicContact OD1-NE 3.18Å; D300-R304 PolarHBondContact OD1-NE 2.9Å; D300-R304 IonicContact OD1-NH2 2.98Å; D300-R304 IonicContact OD2-NE 3.11Å; I301-R304 PolarHBondContact O-N 3.3Å; R304-T307 WeakPolarHBondContact CA-OG1 3.28Å; R304-S308 WeakPolarHBondContact O-CA 3.32Å; R304-S308 PolarHBondContact O-N 3.38Å; R304-S308 PolarHBondContact O-OG 3.34Å; R304-G309 PolarHBondContact O-N 2.83Å; R304-G309 VanDerWaalsContact O-N 3.11Å; R304-D310 CarbonylContact C-O 3.49Å; R304-D310 HydrophobicContact CB-CB 4.3Å; R304-D310 WeakPolarHBondContact CB-O 3.47Å; R304-D310 IonicContact CZ-OD2 2.94Å; R304-D310 IonicContact NH1-OD1 3.24Å; R304-D310 IonicContact NH1-OD2 2.67Å; R304-D310 PolarHBondContact NH1-OD2 3.24Å; R304-D310 PolarHBondContact O-N 3.1Å; R304-S312 PolarHBondContact NH1-O 3.49Å; R304-S312 PolarHBondContact NH1-OG 3.24Å; R304-S312 PolarHBondContact NH2-O 3.2Å
305T98.1Very high97.2Very high0 Ų028.5 Ų28.50%017%0.174CC..Hα-helixtrans-65-47.2177.2-60.50000111.6I301 V302 H303 G309 D310 F311 F337 L363 L371I301-T305 WeakPolarHBondContact O-CB 3.44Å; I301-T305 PolarHBondContact O-N 3.3Å; I301-T305 PolarHBondContact O-OG1 3.25Å; V302-T305 PolarHBondContact O-N 2.63Å; H303-T305 VanDerWaalsContact C-N 3.27Å; H303-T305 PolarHBondContact O-N 3.11Å; T305-G309 WeakPolarHBondContact O-CA 3.31Å; T305-G309 PolarHBondContact O-N 3Å; T305-D310 WeakPolarHBondContact CA-O 3.33Å; T305-D310 PolarHBondContact N-O 2.95Å; T305-D310 VanDerWaalsContact N-O 3.17Å; T305-D310 PolarHBondContact OG1-O 3.4Å; T305-F311 HydrophobicContact CG2-CB 4.11Å; T305-F311 HydrophobicContact CG2-CD2 4.06Å; T305-F311 WeakPolarHBondContact OG1-CA 3.45Å; T305-F311 WeakPolarHBondContact OG1-CB 3.46Å; T305-F311 VanDerWaalsContact OG1-CD2 3.22Å; T305-F311 WeakPolarHBondContact OG1-CD2 3.06Å; T305-F337 HydrophobicContact CG2-CE1 4.33Å; T305-F337 HydrophobicContact CG2-CZ 4.21Å; T305-L363 HydrophobicContact CG2-CD1 3.94Å; T305-L363 HydrophobicContact CG2-CD2 3.79Å; T305-L371 HydrophobicContact CG2-CD2 3.88Å
306V97.8Very high96.9Very high6 Ų632.2 Ų32.24%0.03620%0.2CC..Hα-helixtrans-70.6-46.6178.8177.30000111.4V302 H303 L371 A372 L375 T377V302-V306 WeakPolarHBondContact O-CG2 3.38Å; V302-V306 PolarHBondContact O-N 3.21Å; H303-V306 PolarHBondContact O-N 2.98Å; V306-L371 HydrophobicContact CG2-CD2 3.78Å; V306-L371 HydrophobicContact CG2-CG 3.94Å; V306-A372 HydrophobicContact CG1-CB 4.26Å; V306-L375 VanDerWaalsContact CG1-O 3.23Å; V306-L375 WeakPolarHBondContact CG1-O 3.4Å; V306-L375 HydrophobicContact CG2-CD2 3.87Å; V306-L375 HydrophobicContact CG2-CG 4.26Å; V306-T377 HydrophobicContact CB-CG2 3.75Å; V306-T377 HydrophobicContact CG1-CG2 4.07Å; V306-T377 HydrophobicContact CG2-CG2 3.48Å; V306-T377 VanDerWaalsContact CG2-CG2 3.48Å
307T97.6Very high96.7Very high70 Ų7033.1 Ų33.143%0.42921%0.206SC..Hα-helixtrans-74.3-42.9-172.352.20000112.9H303 R304 R368H303-T307 WeakPolarHBondContact CE1-CG2 3.43Å; H303-T307 WeakPolarHBondContact O-CB 3.25Å; H303-T307 WeakPolarHBondContact O-CG2 3.46Å; H303-T307 PolarHBondContact O-N 3.06Å; H303-T307 PolarHBondContact O-OG1 3.01Å; R304-T307 WeakPolarHBondContact CA-OG1 3.28Å; T307-R368 PolarHBondContact O-NH1 2.7Å
308S97.3Very high96.5Very high44 Ų4436.3 Ų36.331%0.30823%0.226SC..Hα-helixtrans-120.7-15.6-172.679.60000113.7R304 D310 R362 R368R304-S308 WeakPolarHBondContact O-CA 3.32Å; R304-S308 PolarHBondContact O-N 3.38Å; R304-S308 PolarHBondContact O-OG 3.34Å; S308-D310 WeakPolarHBondContact OG-CB 3.31Å; S308-D310 PolarHBondContact OG-N 2.94Å; S308-R362 PolarHBondContact O-NH1 3.02Å; S308-R362 PolarHBondContact O-NH2 2.88Å; S308-R368 WeakPolarHBondContact O-CD 3.35Å
309G97.6Very high96.5Very high0 Ų039.6 Ų39.60%023%0.233CC..SBendtrans88.68.1-173.200000113.6R304 T305 R362 L363 R368R304-G309 PolarHBondContact O-N 2.83Å; R304-G309 VanDerWaalsContact O-N 3.11Å; T305-G309 WeakPolarHBondContact O-CA 3.31Å; T305-G309 PolarHBondContact O-N 3Å; G309-R362 CarbonylContact O-C 3.56Å; G309-R362 WeakPolarHBondContact O-CA 3.37Å; G309-R362 WeakPolarHBondContact O-CD 3.28Å; G309-L363 PolarHBondContact O-N 3.39Å; G309-R368 VanDerWaalsContact N-CD 3.26Å
310D98.1Very high96.4Very high43 Ų4340 Ų4023%0.2324%0.235CC..EExtended strand (participates in β ladder)trans-91.7102.9-178.9178.322.3000111.5R304 T305 S308 S312R304-D310 CarbonylContact C-O 3.49Å; R304-D310 HydrophobicContact CB-CB 4.3Å; R304-D310 WeakPolarHBondContact CB-O 3.47Å; R304-D310 IonicContact CZ-OD2 2.94Å; R304-D310 IonicContact NH1-OD1 3.24Å; R304-D310 IonicContact NH1-OD2 2.67Å; R304-D310 PolarHBondContact NH1-OD2 3.24Å; R304-D310 PolarHBondContact O-N 3.1Å; T305-D310 WeakPolarHBondContact CA-O 3.33Å; T305-D310 PolarHBondContact N-O 2.95Å; T305-D310 VanDerWaalsContact N-O 3.17Å; T305-D310 PolarHBondContact OG1-O 3.4Å; S308-D310 WeakPolarHBondContact OG-CB 3.31Å; S308-D310 PolarHBondContact OG-N 2.94Å; D310-S312 VanDerWaalsContact CG-OG 3.27Å; D310-S312 VanDerWaalsContact OD1-CB 3.27Å; D310-S312 WeakPolarHBondContact OD1-CB 3.43Å; D310-S312 PolarHBondContact OD1-N 3.05Å; D310-S312 PolarHBondContact OD1-OG 3.08Å; D310-S312 PolarHBondContact OD2-OG 3.46Å
311F97.8Very high96.4Very high1 Ų138.9 Ų38.90%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-105.270.3174.1-172.4-103.4000108.9I301 T305 P330 M333 F337 M352 F355 L361 L363I301-F311 HydrophobicContact CD1-CD2 4Å; I301-F311 HydrophobicContact CD1-CE2 4.1Å; I301-F311 HydrophobicContact CD1-CG 4.29Å; I301-F311 HydrophobicContact CD1-CZ 4.46Å; I301-F311 HydrophobicContact CG1-CD2 3.95Å; I301-F311 HydrophobicContact CG1-CE2 4.3Å; I301-F311 HydrophobicContact CG1-CG 4.47Å; T305-F311 HydrophobicContact CG2-CB 4.11Å; T305-F311 HydrophobicContact CG2-CD2 4.06Å; T305-F311 WeakPolarHBondContact OG1-CA 3.45Å; T305-F311 WeakPolarHBondContact OG1-CB 3.46Å; T305-F311 VanDerWaalsContact OG1-CD2 3.22Å; T305-F311 WeakPolarHBondContact OG1-CD2 3.06Å; F311-P330 HydrophobicContact CE2-CG 3.5Å; F311-P330 HydrophobicContact CZ-CG 3.81Å; F311-M333 HydrophobicContact CE2-CB 3.87Å; F311-M333 HydrophobicContact CE2-CG 3.93Å; F311-M333 HydrophobicContact CZ-CB 4.06Å; F311-F337 HydrophobicContact CD1-CE2 4.47Å; F311-F337 HydrophobicContact CD2-CZ 4.13Å; F311-F337 HydrophobicContact CE1-CE2 4.32Å; F311-F337 HydrophobicContact CE2-CE2 4.42Å; F311-F337 HydrophobicContact CE2-CZ 4.27Å; F311-F337 HydrophobicContact CG-CZ 4.35Å; F311-F337 HydrophobicContact CZ-CE2 4.31Å; F311-M352 HydrophobicContact CE1-CE 4.42Å; F311-F355 AromaticContact CD1-CD2 3.46Å; F311-F355 HydrophobicContact CD1-CD2 3.46Å; F311-F355 VanDerWaalsContact CD1-CD2 3.46Å; F311-F355 AromaticContact CD1-CE2 3.56Å; F311-F355 HydrophobicContact CD1-CE2 3.56Å; F311-F355 AromaticContact CD1-CG 3.97Å; F311-F355 HydrophobicContact CD1-CG 3.97Å; F311-F355 HydrophobicContact CD1-CZ 4.13Å; F311-F355 AromaticContact CE1-CD1 3.8Å; F311-F355 HydrophobicContact CE1-CD1 3.8Å; F311-F355 AromaticContact CE1-CD2 3.57Å; F311-F355 HydrophobicContact CE1-CD2 3.57Å; F311-F355 AromaticContact CE1-CE1 3.75Å; F311-F355 HydrophobicContact CE1-CE1 3.75Å; F311-F355 AromaticContact CE1-CE2 3.52Å; F311-F355 HydrophobicContact CE1-CE2 3.52Å; F311-F355 AromaticContact CE1-CG 3.7Å; F311-F355 HydrophobicContact CE1-CG 3.7Å; F311-F355 AromaticContact CE1-CZ 3.61Å; F311-F355 HydrophobicContact CE1-CZ 3.61Å; F311-F355 HydrophobicContact CG-CE2 4.48Å; F311-F355 HydrophobicContact CZ-CE1 4.34Å; F311-F355 HydrophobicContact CZ-CE2 4.42Å; F311-F355 HydrophobicContact CZ-CZ 4.18Å; F311-F355 WeakPolarHBondContact O-CD2 3.35Å; F311-F355 WeakPolarHBondContact O-CE2 3.5Å; F311-L361 CarbonylContact C-O 3.49Å; F311-L361 WeakPolarHBondContact CA-O 3.49Å; F311-L361 HydrophobicContact CB-CB 4.15Å; F311-L361 HydrophobicContact CB-CD2 4.48Å; F311-L361 HydrophobicContact CD1-CB 4.02Å; F311-L361 HydrophobicContact CD1-CD2 3.95Å; F311-L361 PolarHBondContact N-O 2.84Å; F311-L361 PolarHBondContact O-N 2.99Å; F311-L363 HydrophobicContact CB-CD1 3.92Å
312S97.1Very high96.3Very high17 Ų1738.8 Ų38.812%0.11923%0.229CC..EExtended strand (participates in β ladder)trans-123142.317957.10000112.2I301 R304 D310 H359I301-S312 WeakPolarHBondContact CD1-O 3.26Å; I301-S312 WeakPolarHBondContact CG1-O 3.19Å; R304-S312 PolarHBondContact NH1-O 3.49Å; R304-S312 PolarHBondContact NH1-OG 3.24Å; R304-S312 PolarHBondContact NH2-O 3.2Å; D310-S312 VanDerWaalsContact CG-OG 3.27Å; D310-S312 VanDerWaalsContact OD1-CB 3.27Å; D310-S312 WeakPolarHBondContact OD1-CB 3.43Å; D310-S312 PolarHBondContact OD1-N 3.05Å; D310-S312 PolarHBondContact OD1-OG 3.08Å; D310-S312 PolarHBondContact OD2-OG 3.46Å; S312-H359 WeakPolarHBondContact CA-O 3.38Å
313M96.1Very high96.1Very high43 Ų4339.4 Ų39.421%0.21223%0.232CC..  trans-72.1139.3172.7-60-179.96900110.1D196 Q328 D329 F355 H359D196-M313 HydrophobicContact CB-CE 4.41Å; M313-Q328 HydrophobicContact CB-CB 4.15Å; M313-Q328 HydrophobicContact CE-CB 3.79Å; M313-Q328 HydrophobicContact CG-CB 4.18Å; M313-Q328 WeakPolarHBondContact CG-O 3.34Å; M313-D329 HydrophobicContact CE-CB 4.29Å; M313-F355 HydrophobicContact CG-CE2 4.09Å; M313-F355 HydrophobicContact CG-CZ 3.74Å; M313-F355 HydrophobicContact SD-CZ 4.14Å; M313-H359 HydrophobicContact CB-CB 4.16Å; M313-H359 HydrophobicContact CG-CB 4.11Å; M313-H359 PolarHBondContact N-O 3.49Å; M313-H359 HydrophobicContact SD-CB 3.88Å; M313-H359 PolarHBondContact SD-ND1 3.42Å
314A94Very high95.9Very high37 Ų3737.6 Ų37.631%0.30623%0.225SC..  trans-66.3158.7163.300000110.5S316 Q328A314-S316 PolarHBondContact O-N 2.99Å; A314-S316 VanDerWaalsContact O-N 3.11Å; A314-Q328 HydrophobicContact CB-CG 4.48Å
315P90.1Very high95.8Very high144 Ų14436.1 Ų36.194%0.93522%0.22SC*.SBendtrans-58.8-24.9178.1-2534.8000114.2
316S91.2Very high95.7Very high80 Ų8036.7 Ų36.756%0.55922%0.224SC*.SBendtrans-149.6152.3176.759.40000111.4A314 T318A314-S316 PolarHBondContact O-N 2.99Å; A314-S316 VanDerWaalsContact O-N 3.11Å; S316-T318 PolarHBondContact O-N 3.31Å
317V94.4Very high95.5Very high21 Ų2137.1 Ų37.113%0.12723%0.226CC..PPolyproline II helixtrans-71.2123.5169.6177.70000108.8D196 D326 Q328D196-V317 HydrophobicContact CB-CG2 4.44Å; V317-D326 HydrophobicContact CG1-CB 3.76Å; V317-D326 VanDerWaalsContact CG1-O 3.27Å; V317-D326 WeakPolarHBondContact CG1-O 3.21Å; V317-Q328 HydrophobicContact CG2-CB 4.46Å; V317-Q328 HydrophobicContact CG2-CG 3.93Å
318T95.6Very high95.3Very high67 Ų6734 Ų3441%0.41121%0.206SC..PPolyproline II helixtrans-82124.3175.3-61.40000108.8A298 N299 S316 T320 D326A298-T318 HydrophobicContact CB-CG2 4.17Å; N299-T318 PolarHBondContact ND2-O 2.79Å; N299-T318 PolarHBondContact OD1-N 3.41Å; S316-T318 PolarHBondContact O-N 3.31Å; T318-T320 HydrophobicContact CG2-CG2 4.37Å; T318-D326 VanDerWaalsContact O-CG 3.25Å
319Q95.6Very high95.1Very high118 Ų11833 Ų3355%0.55120%0.197SC*.PPolyproline II helixtrans-75.5129.6174.2-174.4173.2-11.600110D326Q319-D326 WeakPolarHBondContact CA-OD2 3.46Å
320T96.3Very high94.9Very high13 Ų1333 Ų338%0.0820%0.197CC..  trans-125.5-178.9-178.574.40000111.8N297 A298 T318 A322 D326 D382N297-T320 HydrophobicContact CB-CG2 4.25Å; N297-T320 PolarHBondContact ND2-OG1 3.22Å; A298-T320 HydrophobicContact CB-CG2 4.02Å; T318-T320 HydrophobicContact CG2-CG2 4.37Å; T320-A322 PolarHBondContact O-N 3.43Å; T320-A322 PolarHBondContact OG1-N 3.43Å; T320-D326 WeakPolarHBondContact CB-OD1 3.47Å; T320-D326 VanDerWaalsContact CG2-OD1 3.28Å; T320-D326 WeakPolarHBondContact CG2-OD1 3.19Å; T320-D326 PolarHBondContact N-OD2 2.87Å; T320-D326 PolarHBondContact OG1-OD1 2.79Å; T320-D382 WeakPolarHBondContact CB-OD1 3.4Å
321L96.9Very high94.6Very high20 Ų2032 Ų3211%0.10519%0.191CC..SBendtrans-70-13.6169.4-65.5175.4000113.4P323 D382 I385 L386 P402 A436 K439L321-P323 WeakPolarHBondContact O-CD 3.23Å; L321-D382 HydrophobicContact CD1-CB 3.93Å; L321-D382 HydrophobicContact CG-CB 4.13Å; L321-D382 PolarHBondContact N-OD1 3.12Å; L321-D382 PolarHBondContact N-OD2 3.39Å; L321-I385 HydrophobicContact CB-CD1 4.5Å; L321-L386 HydrophobicContact CD1-CD1 4.02Å; L321-L386 HydrophobicContact CD1-CD2 3.48Å; L321-L386 VanDerWaalsContact CD1-CD2 3.48Å; L321-L386 HydrophobicContact CD1-CG 3.56Å; L321-P402 HydrophobicContact CB-CB 4.2Å; L321-P402 VanDerWaalsContact O-CB 3.23Å; L321-P402 WeakPolarHBondContact O-CB 3.38Å; L321-P402 WeakPolarHBondContact O-CG 3.5Å; L321-A436 HydrophobicContact CB-CB 4.49Å; L321-A436 HydrophobicContact CD2-CB 4.34Å; L321-K439 HydrophobicContact CD2-CD 3.71Å
322A96.9Very high94.6Very high0 Ų032 Ų320%019%0.19CC..  trans-114.364.5-178.900000111.6T320 A324 I325 I385 P402 H403 V406T320-A322 PolarHBondContact O-N 3.43Å; T320-A322 PolarHBondContact OG1-N 3.43Å; A322-A324 VanDerWaalsContact C-N 3.32Å; A322-A324 PolarHBondContact O-N 3.26Å; A322-A324 VanDerWaalsContact O-N 3.11Å; A322-I325 HydrophobicContact CB-CD1 4.16Å; A322-I325 HydrophobicContact CB-CG1 3.95Å; A322-I325 VanDerWaalsContact O-CG1 3.23Å; A322-I325 WeakPolarHBondContact O-CG1 3.4Å; A322-I325 PolarHBondContact O-N 2.95Å; A322-I385 HydrophobicContact CB-CD1 4.24Å; A322-P402 HydrophobicContact CB-CB 4.29Å; A322-H403 WeakPolarHBondContact CA-NE2 3.23Å; A322-H403 PolarHBondContact O-NE2 3.35Å; A322-V406 HydrophobicContact CB-CG2 4.33Å
323P94Very high94.6Very high15 Ų1531.2 Ų31.210%0.09719%0.185CC..G310 helixtrans-61.3-32.5-164.723.7-36000115L321 I325 D326 F433L321-P323 WeakPolarHBondContact O-CD 3.23Å; P323-I325 PolarHBondContact O-N 2.66Å; P323-D326 WeakPolarHBondContact CA-OD2 3.34Å; P323-D326 WeakPolarHBondContact O-CB 3.35Å; P323-D326 PolarHBondContact O-N 2.86Å; P323-F433 HydrophobicContact CG-CE1 4.08Å
324A93.3Very high94.7Very high7 Ų729.4 Ų29.46%0.05818%0.176CC..G310 helixtrans-63.8-11.6179.100000114.8S142 D144 A322 H403S142-A324 PolarHBondContact OG-O 2.92Å; D144-A324 WeakPolarHBondContact OD2-CB 3.27Å; A322-A324 VanDerWaalsContact C-N 3.32Å; A322-A324 PolarHBondContact O-N 3.26Å; A322-A324 VanDerWaalsContact O-N 3.11Å; A324-H403 WeakPolarHBondContact CB-NE2 3.5Å; A324-H403 PolarHBondContact N-NE2 2.95Å; A324-H403 VanDerWaalsContact N-NE2 3.19Å
325I95.7Very high94.9Very high12 Ų1227.6 Ų27.66%0.06216%0.161CC..G310 helixtrans-116.514.6173.363.3167.2000113N297 A322 P323 I327 V406N297-I325 HydrophobicContact CB-CD1 4.14Å; N297-I325 WeakPolarHBondContact ND2-CG1 3.41Å; A322-I325 HydrophobicContact CB-CD1 4.16Å; A322-I325 HydrophobicContact CB-CG1 3.95Å; A322-I325 VanDerWaalsContact O-CG1 3.23Å; A322-I325 WeakPolarHBondContact O-CG1 3.4Å; A322-I325 PolarHBondContact O-N 2.95Å; P323-I325 PolarHBondContact O-N 2.66Å; I325-I327 VanDerWaalsContact C-N 3.26Å; I325-I327 PolarHBondContact O-N 3.04Å; I325-V406 HydrophobicContact CD1-CB 4.47Å; I325-V406 HydrophobicContact CD1-CG1 4.22Å; I325-V406 HydrophobicContact CD1-CG2 4.24Å
326D95.7Very high95.2Very high12 Ų1221 Ų216%0.06412%0.118CC..  trans-76.474.6170.2-69.1-11.2000110.5N297 N299 V317 T318 Q319 T320 P323N297-D326 PolarHBondContact ND2-OD1 3.19Å; N299-D326 WeakPolarHBondContact ND2-CA 3.38Å; N299-D326 PolarHBondContact ND2-OD1 3.02Å; N299-D326 VanDerWaalsContact ND2-OD1 3.14Å; V317-D326 HydrophobicContact CG1-CB 3.76Å; V317-D326 VanDerWaalsContact CG1-O 3.27Å; V317-D326 WeakPolarHBondContact CG1-O 3.21Å; T318-D326 VanDerWaalsContact O-CG 3.25Å; Q319-D326 WeakPolarHBondContact CA-OD2 3.46Å; T320-D326 WeakPolarHBondContact CB-OD1 3.47Å; T320-D326 VanDerWaalsContact CG2-OD1 3.28Å; T320-D326 WeakPolarHBondContact CG2-OD1 3.19Å; T320-D326 PolarHBondContact N-OD2 2.87Å; T320-D326 PolarHBondContact OG1-OD1 2.79Å; P323-D326 WeakPolarHBondContact CA-OD2 3.34Å; P323-D326 WeakPolarHBondContact O-CB 3.35Å; P323-D326 PolarHBondContact O-N 2.86Å
327I93.4Very high95.5Very high16 Ų1617.3 Ų17.38%0.0829%0.092CC..  trans-132.4130.3-170.3-67.1170000110.1I325 D329I325-I327 VanDerWaalsContact C-N 3.26Å; I325-I327 PolarHBondContact O-N 3.04Å; I327-D329 WeakPolarHBondContact CG2-O 3.35Å
328Q93.6Very high95.7Very high3 Ų316.6 Ų16.61%0.0149%0.087CC..SBendtrans-105.3-19.1172.8-63.3-75.9-25.800112.4D196 N299 I301 M313 A314 V317 P330D196-Q328 VanDerWaalsContact OD2-CA 3.31Å; D196-Q328 WeakPolarHBondContact OD2-CA 3.29Å; D196-Q328 VanDerWaalsContact OD2-CB 3.22Å; D196-Q328 WeakPolarHBondContact OD2-CB 3.23Å; D196-Q328 PolarHBondContact OD2-N 3.2Å; N299-Q328 PolarHBondContact OD1-NE2 2.97Å; I301-Q328 WeakPolarHBondContact CD1-O 3.45Å; M313-Q328 HydrophobicContact CB-CB 4.15Å; M313-Q328 HydrophobicContact CE-CB 3.79Å; M313-Q328 HydrophobicContact CG-CB 4.18Å; M313-Q328 WeakPolarHBondContact CG-O 3.34Å; A314-Q328 HydrophobicContact CB-CG 4.48Å; V317-Q328 HydrophobicContact CG2-CB 4.46Å; V317-Q328 HydrophobicContact CG2-CG 3.93Å; Q328-P330 VanDerWaalsContact C-CD 3.43Å; Q328-P330 WeakPolarHBondContact O-CD 3.41Å
329D93.2Very high95.8Very high23 Ų2313.6 Ų13.612%0.1237%0.069CC..  trans-104.681.3170.3-176.99.6000111.6D196 R203 M313 I327 Y331D196-D329 PolarHBondContact OD2-N 3.38Å; R203-D329 IonicContact CZ-OD2 3.13Å; R203-D329 IonicContact NE-OD2 3.03Å; R203-D329 IonicContact NH2-OD1 2.75Å; R203-D329 IonicContact NH2-OD2 2.73Å; R203-D329 PolarHBondContact NH2-OD2 3.22Å; M313-D329 HydrophobicContact CE-CB 4.29Å; I327-D329 WeakPolarHBondContact CG2-O 3.35Å; D329-Y331 WeakPolarHBondContact O-CD1 3.05Å; D329-Y331 PolarHBondContact O-N 2.85Å
330P93.9Very high95.8Very high0 Ų09.2 Ų9.20%05%0.049CC..  trans-78.867.1-179.937.7-41.3000110.8G272 A274 I301 V302 F311 Q328 N332 M333G272-P330 WeakPolarHBondContact O-CB 3.42Å; A274-P330 HydrophobicContact CB-CB 4.18Å; I301-P330 HydrophobicContact CD1-CG 4.45Å; I301-P330 HydrophobicContact CG2-CG 3.8Å; V302-P330 HydrophobicContact CG2-CB 3.92Å; V302-P330 HydrophobicContact CG2-CG 4.07Å; F311-P330 HydrophobicContact CE2-CG 3.5Å; F311-P330 HydrophobicContact CZ-CG 3.81Å; Q328-P330 VanDerWaalsContact C-CD 3.43Å; Q328-P330 WeakPolarHBondContact O-CD 3.41Å; P330-N332 PolarHBondContact O-N 3.49Å; P330-M333 HydrophobicContact CB-CG 4.07Å; P330-M333 HydrophobicContact CG-CG 3.94Å; P330-M333 WeakPolarHBondContact O-CB 3.47Å; P330-M333 WeakPolarHBondContact O-CG 3.45Å; P330-M333 PolarHBondContact O-N 2.96Å
331Y92.5Very high95.7Very high24 Ų2410.1 Ų10.19%0.0945%0.053CC..THydrogen-bonded Turntrans-53.5-24.6-167.954.2-97000115.8M29 S222 V223 D329 M333 E334M29-Y331 WeakPolarHBondContact CE-O 3.44Å; M29-Y331 HydrophobicContact SD-CD2 4.37Å; S222-Y331 WeakPolarHBondContact OG-CE2 3.43Å; S222-Y331 PolarHBondContact OG-OH 3.27Å; S222-Y331 VanDerWaalsContact OG-OH 3.06Å; V223-Y331 HydrophobicContact CG2-CD2 4Å; V223-Y331 HydrophobicContact CG2-CE2 4.02Å; D329-Y331 WeakPolarHBondContact O-CD1 3.05Å; D329-Y331 PolarHBondContact O-N 2.85Å; Y331-M333 PolarHBondContact O-N 2.93Å; Y331-E334 WeakPolarHBondContact O-CB 3.42Å; Y331-E334 PolarHBondContact O-N 2.75Å
332N96.6Very high95.6Very high0 Ų014.2 Ų14.20%08%0.075CC..THydrogen-bonded Turntrans-72.8-8.3174.2-76.2-83.1000114.6S222 G273 A274 G275 A278 P330 E334 R335 V336S222-N332 PolarHBondContact O-OD1 3.27Å; S222-N332 PolarHBondContact OG-ND2 3.4Å; G273-N332 VanDerWaalsContact O-CB 3.31Å; G273-N332 WeakPolarHBondContact O-CB 3.29Å; G273-N332 PolarHBondContact O-N 3.49Å; G273-N332 PolarHBondContact O-ND2 3.35Å; A274-N332 HydrophobicContact CB-CB 3.96Å; G275-N332 VanDerWaalsContact CA-CG 3.46Å; A278-N332 HydrophobicContact CB-CB 4.22Å; P330-N332 PolarHBondContact O-N 3.49Å; N332-E334 PolarHBondContact O-N 2.96Å; N332-R335 WeakPolarHBondContact O-CB 3.04Å; N332-R335 PolarHBondContact O-N 2.89Å; N332-R335 PolarHBondContact OD1-NH1 3.33Å; N332-V336 PolarHBondContact O-N 3.42Å
333M97.4Very high95.6Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-60-25.6167.5-73.2-58.9-59.800111.7A274 V302 F311 P330 Y331 R335 V336 F337 L371A274-M333 HydrophobicContact CB-CG 3.88Å; A274-M333 HydrophobicContact CB-SD 3.98Å; V302-M333 HydrophobicContact CG1-SD 4.3Å; V302-M333 HydrophobicContact CG2-CG 4.32Å; V302-M333 HydrophobicContact CG2-SD 4.39Å; F311-M333 HydrophobicContact CE2-CB 3.87Å; F311-M333 HydrophobicContact CE2-CG 3.93Å; F311-M333 HydrophobicContact CZ-CB 4.06Å; P330-M333 HydrophobicContact CB-CG 4.07Å; P330-M333 HydrophobicContact CG-CG 3.94Å; P330-M333 WeakPolarHBondContact O-CB 3.47Å; P330-M333 WeakPolarHBondContact O-CG 3.45Å; P330-M333 PolarHBondContact O-N 2.96Å; Y331-M333 PolarHBondContact O-N 2.93Å; M333-R335 VanDerWaalsContact C-N 3.3Å; M333-R335 PolarHBondContact O-N 2.87Å; M333-V336 HydrophobicContact CE-CB 4.21Å; M333-V336 HydrophobicContact CE-CG1 4.13Å; M333-V336 CarbonylContact O-C 3.57Å; M333-V336 WeakPolarHBondContact O-CA 3.23Å; M333-V336 WeakPolarHBondContact O-CB 3.17Å; M333-V336 PolarHBondContact O-N 3.12Å; M333-V336 VanDerWaalsContact O-N 3.08Å; M333-V336 HydrophobicContact SD-CB 4.38Å; M333-V336 HydrophobicContact SD-CG2 4.19Å; M333-F337 HydrophobicContact CB-CE2 4.02Å; M333-F337 HydrophobicContact CB-CZ 4.06Å; M333-F337 HydrophobicContact CE-CD1 4.49Å; M333-F337 HydrophobicContact CE-CE1 3.72Å; M333-F337 HydrophobicContact CE-CZ 3.97Å; M333-F337 VanDerWaalsContact O-CD2 3.3Å; M333-F337 WeakPolarHBondContact O-CD2 3.37Å; M333-F337 WeakPolarHBondContact O-CG 3.39Å; M333-F337 PolarHBondContact O-N 3.48Å; M333-L371 HydrophobicContact CE-CD2 4.42Å
334E97.8Very high95.7Very high5 Ų522.2 Ų22.22%0.02311%0.109CC..Hα-helixtrans-60.8-36.2171.8167.5173.4168.900112.1T6 R7 G28 M29 Y331 N332 F337 W338 V348 M352T6-E334 PolarHBondContact OG1-OE1 3.25Å; R7-E334 WeakPolarHBondContact CG-OE1 3.49Å; R7-E334 IonicContact CZ-OE1 2.71Å; R7-E334 IonicContact CZ-OE2 3.83Å; R7-E334 IonicContact NE-OE1 3.35Å; R7-E334 PolarHBondContact NE-OE1 3.45Å; R7-E334 IonicContact NE-OE2 2.8Å; R7-E334 PolarHBondContact NE-OE2 3.46Å; R7-E334 IonicContact NH2-OE1 3.57Å; R7-E334 IonicContact NH2-OE2 3.58Å; R7-E334 PolarHBondContact NH2-OE2 2.82Å; G28-E334 WeakPolarHBondContact CA-OE1 3.39Å; M29-E334 HydrophobicContact CE-CB 3.45Å; M29-E334 VanDerWaalsContact CE-CB 3.45Å; M29-E334 HydrophobicContact CE-CG 3.68Å; Y331-E334 WeakPolarHBondContact O-CB 3.42Å; Y331-E334 PolarHBondContact O-N 2.75Å; N332-E334 PolarHBondContact O-N 2.96Å; E334-F337 PolarHBondContact O-N 3.07Å; E334-W338 WeakPolarHBondContact O-CB 3.36Å; E334-W338 PolarHBondContact O-N 3.45Å; E334-V348 HydrophobicContact CG-CG1 3.71Å; E334-M352 HydrophobicContact CB-CE 4.41Å; E334-M352 HydrophobicContact CB-CG 3.99Å; E334-M352 HydrophobicContact CB-SD 3.99Å; E334-M352 HydrophobicContact CG-CG 3.87Å
335R98Very high95.9Very high0 Ų022.2 Ų22.20%011%0.11CC..Hα-helixtrans-67.6-37.5172-71.9-177.6166.5119.6-2.1112.1T6 M29 F30 M31 S222 V223 A278 N332 M333 W338 L339T6-R335 HydrophobicContact CG2-CG 4.3Å; M29-R335 HydrophobicContact CB-CG 4.49Å; M29-R335 HydrophobicContact CE-CG 3.83Å; M29-R335 HydrophobicContact SD-CG 4.23Å; F30-R335 PolarHBondContact O-NE 3.4Å; F30-R335 PolarHBondContact O-NH2 3.47Å; M31-R335 HydrophobicContact CG-CG 4.09Å; M31-R335 HydrophobicContact SD-CB 4.2Å; M31-R335 WeakPolarHBondContact SD-CD 3.49Å; M31-R335 HydrophobicContact SD-CG 3.68Å; M31-R335 PolarHBondContact SD-NE 2.92Å; M31-R335 VanDerWaalsContact SD-NE 3.43Å; S222-R335 PolarHBondContact O-NH1 3.03Å; V223-R335 PolarHBondContact O-NH2 3.11Å; A278-R335 HydrophobicContact CB-CB 4.41Å; N332-R335 WeakPolarHBondContact O-CB 3.04Å; N332-R335 PolarHBondContact O-N 2.89Å; N332-R335 PolarHBondContact OD1-NH1 3.33Å; M333-R335 VanDerWaalsContact C-N 3.3Å; M333-R335 PolarHBondContact O-N 2.87Å; R335-W338 PolarHBondContact O-N 2.79Å; R335-L339 WeakPolarHBondContact O-CG 3.45Å; R335-L339 PolarHBondContact O-N 3.06Å; R335-L339 VanDerWaalsContact O-N 3.08Å
336V97.7Very high96Very high5 Ų524.8 Ų24.83%0.0313%0.133CC..Hα-helixtrans-64.4-47.2175.9177.80000110A278 F281 N332 M333 W338 L339 L340 L371A278-V336 HydrophobicContact CB-CG2 4.01Å; F281-V336 HydrophobicContact CD1-CB 4.36Å; F281-V336 HydrophobicContact CD1-CG1 3.94Å; F281-V336 HydrophobicContact CD1-CG2 4.39Å; F281-V336 HydrophobicContact CE1-CG1 4.06Å; N332-V336 PolarHBondContact O-N 3.42Å; M333-V336 HydrophobicContact CE-CB 4.21Å; M333-V336 HydrophobicContact CE-CG1 4.13Å; M333-V336 CarbonylContact O-C 3.57Å; M333-V336 WeakPolarHBondContact O-CA 3.23Å; M333-V336 WeakPolarHBondContact O-CB 3.17Å; M333-V336 PolarHBondContact O-N 3.12Å; M333-V336 VanDerWaalsContact O-N 3.08Å; M333-V336 HydrophobicContact SD-CB 4.38Å; M333-V336 HydrophobicContact SD-CG2 4.19Å; V336-W338 PolarHBondContact O-N 3.23Å; V336-L339 PolarHBondContact O-N 3.03Å; V336-L340 VanDerWaalsContact O-CB 3.26Å; V336-L340 WeakPolarHBondContact O-CB 3.42Å; V336-L340 PolarHBondContact O-N 3.3Å; V336-L371 HydrophobicContact CG1-CD1 3.87Å
337F97.8Very high96Very high2 Ų225.5 Ų25.51%0.00914%0.14CC..Hα-helixtrans-62-42.2176.7-59.8-31.5000111.9T305 F311 M333 E334 L339 L340 L341 V348 M351 M352 L361 L363 L371T305-F337 HydrophobicContact CG2-CE1 4.33Å; T305-F337 HydrophobicContact CG2-CZ 4.21Å; F311-F337 HydrophobicContact CD1-CE2 4.47Å; F311-F337 HydrophobicContact CD2-CZ 4.13Å; F311-F337 HydrophobicContact CE1-CE2 4.32Å; F311-F337 HydrophobicContact CE2-CE2 4.42Å; F311-F337 HydrophobicContact CE2-CZ 4.27Å; F311-F337 HydrophobicContact CG-CZ 4.35Å; F311-F337 HydrophobicContact CZ-CE2 4.31Å; M333-F337 HydrophobicContact CB-CE2 4.02Å; M333-F337 HydrophobicContact CB-CZ 4.06Å; M333-F337 HydrophobicContact CE-CD1 4.49Å; M333-F337 HydrophobicContact CE-CE1 3.72Å; M333-F337 HydrophobicContact CE-CZ 3.97Å; M333-F337 VanDerWaalsContact O-CD2 3.3Å; M333-F337 WeakPolarHBondContact O-CD2 3.37Å; M333-F337 WeakPolarHBondContact O-CG 3.39Å; M333-F337 PolarHBondContact O-N 3.48Å; E334-F337 PolarHBondContact O-N 3.07Å; F337-L339 VanDerWaalsContact C-N 3.35Å; F337-L339 PolarHBondContact O-N 3.21Å; F337-L340 WeakPolarHBondContact O-CB 3.32Å; F337-L340 PolarHBondContact O-N 2.94Å; F337-L341 WeakPolarHBondContact O-CB 3.19Å; F337-L341 VanDerWaalsContact O-CG 3.28Å; F337-L341 WeakPolarHBondContact O-CG 3.49Å; F337-L341 PolarHBondContact O-N 3.23Å; F337-V348 HydrophobicContact CB-CG2 4.49Å; F337-M351 HydrophobicContact CD2-CE 4.14Å; F337-M351 HydrophobicContact CE2-CE 4.48Å; F337-M351 HydrophobicContact CG-CE 4.21Å; F337-M352 HydrophobicContact CD2-SD 4.09Å; F337-M352 HydrophobicContact CE2-SD 4.27Å; F337-L361 HydrophobicContact CE2-CD2 4.48Å; F337-L363 HydrophobicContact CE1-CD1 4.47Å; F337-L363 HydrophobicContact CE1-CD2 3.94Å; F337-L363 HydrophobicContact CZ-CD1 4.23Å; F337-L363 HydrophobicContact CZ-CD2 4.49Å; F337-L371 HydrophobicContact CE1-CD2 4.45Å
338W97.9Very high96.2Very high7 Ų724.7 Ų24.73%0.02714%0.137CC..Hα-helixtrans-59.2-44.7176.1-175.279.2000112.5T6 M31 P32 E334 R335 V336 R343 V348T6-W338 HydrophobicContact CG2-CB 3.88Å; T6-W338 HydrophobicContact CG2-CD2 4.23Å; T6-W338 HydrophobicContact CG2-CG 3.84Å; T6-W338 VanDerWaalsContact O-CD1 3.23Å; M31-W338 HydrophobicContact CB-CE3 4.14Å; M31-W338 HydrophobicContact CB-CH2 3.95Å; M31-W338 HydrophobicContact CB-CZ3 3.76Å; M31-W338 HydrophobicContact CE-CE3 4.02Å; M31-W338 HydrophobicContact CE-CZ3 3.87Å; M31-W338 HydrophobicContact CG-CE3 4.04Å; M31-W338 HydrophobicContact CG-CZ3 4.12Å; P32-W338 WeakPolarHBondContact O-CH2 3.19Å; E334-W338 WeakPolarHBondContact O-CB 3.36Å; E334-W338 PolarHBondContact O-N 3.45Å; R335-W338 PolarHBondContact O-N 2.79Å; V336-W338 PolarHBondContact O-N 3.23Å; W338-R343 HydrophobicContact CD2-CB 4.12Å; W338-R343 HydrophobicContact CD2-CG 3.99Å; W338-R343 VanDerWaalsContact CE2-CB 3.49Å; W338-R343 HydrophobicContact CE3-CG 3.92Å; W338-R343 HydrophobicContact CH2-CB 3.95Å; W338-R343 HydrophobicContact CH2-CG 3.4Å; W338-R343 HydrophobicContact CZ2-CB 3.41Å; W338-R343 VanDerWaalsContact CZ2-CB 3.41Å; W338-R343 HydrophobicContact CZ2-CG 3.44Å; W338-R343 VanDerWaalsContact CZ2-CG 3.44Å; W338-R343 HydrophobicContact CZ3-CB 4.47Å; W338-R343 HydrophobicContact CZ3-CG 3.63Å; W338-R343 PolarHBondContact NE1-O 3.48Å; W338-R343 VanDerWaalsContact O-CA 3.26Å; W338-R343 WeakPolarHBondContact O-CA 3.16Å; W338-R343 PolarHBondContact O-N 3.25Å; W338-V348 HydrophobicContact CB-CG2 3.96Å
339L97Very high96.4Very high4 Ų428.5 Ų28.52%0.02115%0.153CC..Hα-helixtrans-66.7-41.4174.5-71.3174.5000112.1M31 L35 F281 I282 R285 R335 V336 F337 L341 D342M31-L339 HydrophobicContact CE-CD1 4.21Å; M31-L339 HydrophobicContact CE-CD2 4.26Å; M31-L339 HydrophobicContact CE-CG 4.26Å; L35-L339 HydrophobicContact CD1-CD2 3.63Å; F281-L339 HydrophobicContact CD1-CB 3.99Å; F281-L339 HydrophobicContact CD1-CD1 3.79Å; F281-L339 HydrophobicContact CE1-CB 3.48Å; F281-L339 VanDerWaalsContact CE1-CB 3.48Å; F281-L339 HydrophobicContact CE1-CD1 4.15Å; F281-L339 HydrophobicContact CE1-CG 4.48Å; F281-L339 HydrophobicContact CZ-CB 4.26Å; I282-L339 HydrophobicContact CG1-CD1 3.72Å; R285-L339 HydrophobicContact CG-CD1 4.39Å; R285-L339 PolarHBondContact NH1-O 3.34Å; R335-L339 WeakPolarHBondContact O-CG 3.45Å; R335-L339 PolarHBondContact O-N 3.06Å; R335-L339 VanDerWaalsContact O-N 3.08Å; V336-L339 PolarHBondContact O-N 3.03Å; F337-L339 VanDerWaalsContact C-N 3.35Å; F337-L339 PolarHBondContact O-N 3.21Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 3.28Å; L339-D342 PolarHBondContact O-N 3.25Å
340L95.4Very high96.6Very high26 Ų2631.8 Ų31.814%0.13617%0.174CC..Hα-helixtrans-62.2-37.9-179.4-170.872.3000112.5V336 F337 D342 L370 L371V336-L340 VanDerWaalsContact O-CB 3.26Å; V336-L340 WeakPolarHBondContact O-CB 3.42Å; V336-L340 PolarHBondContact O-N 3.3Å; F337-L340 WeakPolarHBondContact O-CB 3.32Å; F337-L340 PolarHBondContact O-N 2.94Å; L340-D342 PolarHBondContact O-N 3.04Å; L340-L370 HydrophobicContact CD1-CB 3.66Å; L340-L370 HydrophobicContact CG-CB 4.21Å; L340-L371 HydrophobicContact CD1-CB 4.49Å; L340-L371 HydrophobicContact CD2-CB 3.95Å
341L95.6Very high96.7Very high31 Ų3132.6 Ų32.616%0.16218%0.178CC..THydrogen-bonded Turntrans-91.926.6-179-58.7178.7000112.6F337 L339 R343 D344 A347 V348 M351 Q367F337-L341 WeakPolarHBondContact O-CB 3.19Å; F337-L341 VanDerWaalsContact O-CG 3.28Å; F337-L341 WeakPolarHBondContact O-CG 3.49Å; F337-L341 PolarHBondContact O-N 3.23Å; L339-L341 VanDerWaalsContact C-N 3.31Å; L339-L341 PolarHBondContact O-N 3.28Å; L341-R343 PolarHBondContact O-N 2.87Å; L341-R343 VanDerWaalsContact O-N 3.11Å; L341-D344 HydrophobicContact CB-CB 4.37Å; L341-D344 WeakPolarHBondContact O-CB 3.03Å; L341-D344 PolarHBondContact O-N 3.08Å; L341-A347 HydrophobicContact CD1-CB 4.04Å; L341-V348 HydrophobicContact CD1-CG2 4.19Å; L341-M351 HydrophobicContact CD1-SD 3.68Å; L341-Q367 HydrophobicContact CD2-CG 3.81Å
342D94.9Very high96.8Very high106 Ų10631.7 Ų31.757%0.56717%0.174SC*.THydrogen-bonded Turntrans4544.8-178.4-163.430.2000114.1R285 L339 L340 D344R285-D342 IonicContact NH2-OD1 3.68Å; L339-D342 PolarHBondContact O-N 3.25Å; L340-D342 PolarHBondContact O-N 3.04Å; D342-D344 VanDerWaalsContact C-N 3.29Å; D342-D344 PolarHBondContact O-N 3.44Å
343R95.9Very high96.8Very high102 Ų10235.9 Ų35.939%0.38519%0.194SC..THydrogen-bonded Turntrans69.921.2174.2-52.2171-81.6176.9-5.6114.3E33 W338 L341 G345E33-R343 PolarHBondContact O-NH1 2.69Å; W338-R343 HydrophobicContact CD2-CB 4.12Å; W338-R343 HydrophobicContact CD2-CG 3.99Å; W338-R343 VanDerWaalsContact CE2-CB 3.49Å; W338-R343 HydrophobicContact CE3-CG 3.92Å; W338-R343 HydrophobicContact CH2-CB 3.95Å; W338-R343 HydrophobicContact CH2-CG 3.4Å; W338-R343 HydrophobicContact CZ2-CB 3.41Å; W338-R343 VanDerWaalsContact CZ2-CB 3.41Å; W338-R343 HydrophobicContact CZ2-CG 3.44Å; W338-R343 VanDerWaalsContact CZ2-CG 3.44Å; W338-R343 HydrophobicContact CZ3-CB 4.47Å; W338-R343 HydrophobicContact CZ3-CG 3.63Å; W338-R343 PolarHBondContact NE1-O 3.48Å; W338-R343 VanDerWaalsContact O-CA 3.26Å; W338-R343 WeakPolarHBondContact O-CA 3.16Å; W338-R343 PolarHBondContact O-N 3.25Å; L341-R343 PolarHBondContact O-N 2.87Å; L341-R343 VanDerWaalsContact O-N 3.11Å; R343-G345 PolarHBondContact O-N 3.14Å
344D96.7Very high96.6Very high81 Ų8139.8 Ų39.843%0.43321%0.213SC..  trans-67.591170.9-173.1-16.3000111.3L341 D342 A346 A347 V348L341-D344 HydrophobicContact CB-CB 4.37Å; L341-D344 WeakPolarHBondContact O-CB 3.03Å; L341-D344 PolarHBondContact O-N 3.08Å; D342-D344 VanDerWaalsContact C-N 3.29Å; D342-D344 PolarHBondContact O-N 3.44Å; D344-A346 VanDerWaalsContact C-N 3.28Å; D344-A346 PolarHBondContact O-N 3.37Å; D344-A346 PolarHBondContact OD1-N 3.19Å; D344-A347 HydrophobicContact CB-CB 4.1Å; D344-A347 PolarHBondContact O-N 3.02Å; D344-A347 PolarHBondContact OD1-N 3.11Å; D344-V348 WeakPolarHBondContact O-CG2 3.41Å; D344-V348 PolarHBondContact O-N 3.37Å
345G97.2Very high96.5Very high8 Ų839.7 Ų39.78%0.08221%0.212CC..Hα-helixtrans-65.4-28.4179.900000113.8T6 R7 R343 K349T6-G345 VanDerWaalsContact O-CA 3.32Å; T6-G345 WeakPolarHBondContact O-CA 3.48Å; R7-G345 CarbonylContact C-O 3.56Å; R7-G345 WeakPolarHBondContact CA-O 3.27Å; R343-G345 PolarHBondContact O-N 3.14Å; G345-K349 VanDerWaalsContact O-CB 3.25Å; G345-K349 WeakPolarHBondContact O-CB 3.24Å; G345-K349 PolarHBondContact O-N 3.42Å
346A97.2Very high96.2Very high65 Ų6543.6 Ų43.654%0.53723%0.23SC..Hα-helixtrans-70.9-44.3179.200000110.8D344 K349 T350D344-A346 VanDerWaalsContact C-N 3.28Å; D344-A346 PolarHBondContact O-N 3.37Å; D344-A346 PolarHBondContact OD1-N 3.19Å; A346-K349 WeakPolarHBondContact O-CB 3.45Å; A346-K349 PolarHBondContact O-N 3.1Å; A346-T350 PolarHBondContact O-N 3.26Å; A346-T350 PolarHBondContact O-OG1 3.17Å
347A96.8Very high96Very high27 Ų2753 Ų5322%0.22327%0.265CS..Hα-helixtrans-61.8-46.2175.500000111.8L341 D344 K349 T350 M351L341-A347 HydrophobicContact CD1-CB 4.04Å; D344-A347 HydrophobicContact CB-CB 4.1Å; D344-A347 PolarHBondContact O-N 3.02Å; D344-A347 PolarHBondContact OD1-N 3.11Å; A347-K349 VanDerWaalsContact C-N 3.34Å; A347-K349 PolarHBondContact O-N 3.25Å; A347-T350 PolarHBondContact O-N 3.23Å; A347-M351 WeakPolarHBondContact O-CG 3.17Å; A347-M351 PolarHBondContact O-N 3Å
348V97.7Very high95.9Very high0 Ų055.2 Ų55.20%028%0.281CS..Hα-helixtrans-61.1-43.6177173.40000111.2T6 E334 F337 W338 L341 D344 T350 M351 M352T6-V348 WeakPolarHBondContact O-CB 3.33Å; T6-V348 WeakPolarHBondContact O-CG1 3.28Å; E334-V348 HydrophobicContact CG-CG1 3.71Å; F337-V348 HydrophobicContact CB-CG2 4.49Å; W338-V348 HydrophobicContact CB-CG2 3.96Å; L341-V348 HydrophobicContact CD1-CG2 4.19Å; D344-V348 WeakPolarHBondContact O-CG2 3.41Å; D344-V348 PolarHBondContact O-N 3.37Å; V348-T350 PolarHBondContact O-N 3.46Å; V348-M351 PolarHBondContact O-N 3.39Å; V348-M352 HydrophobicContact CG1-CG 4.09Å; V348-M352 WeakPolarHBondContact O-CB 3.04Å; V348-M352 VanDerWaalsContact O-CG 3.29Å; V348-M352 WeakPolarHBondContact O-CG 3.38Å; V348-M352 PolarHBondContact O-N 3.39Å
349K97.2Very high95.8Very high83 Ų8359.2 Ų59.236%0.36130%0.3SS..Hα-helixtrans-55.8-51.4175.8-178.2178.6176.5-179.50111.2R7 G345 A346 A347 M351 M352 E353R7-K349 HydrophobicContact CB-CB 3.89Å; R7-K349 HydrophobicContact CB-CG 4.21Å; R7-K349 HydrophobicContact CG-CB 4.14Å; G345-K349 VanDerWaalsContact O-CB 3.25Å; G345-K349 WeakPolarHBondContact O-CB 3.24Å; G345-K349 PolarHBondContact O-N 3.42Å; A346-K349 WeakPolarHBondContact O-CB 3.45Å; A346-K349 PolarHBondContact O-N 3.1Å; A347-K349 VanDerWaalsContact C-N 3.34Å; A347-K349 PolarHBondContact O-N 3.25Å; K349-M351 PolarHBondContact O-N 3.24Å; K349-M352 PolarHBondContact O-N 3.46Å; K349-E353 WeakPolarHBondContact CE-OE1 3.24Å; K349-E353 HydrophobicContact CG-CG 4.26Å; K349-E353 IonicContact NZ-OE1 3.92Å; K349-E353 WeakPolarHBondContact O-CB 3.43Å; K349-E353 WeakPolarHBondContact O-CG 3.49Å; K349-E353 PolarHBondContact O-N 3.02Å
350T96.6Very high95.7Very high91 Ų9167.3 Ų67.356%0.55833%0.33SS*.Hα-helixtrans-58.8-47.4178.8-60.60000112A346 A347 V348 M352 E354A346-T350 PolarHBondContact O-N 3.26Å; A346-T350 PolarHBondContact O-OG1 3.17Å; A347-T350 PolarHBondContact O-N 3.23Å; V348-T350 PolarHBondContact O-N 3.46Å; T350-M352 VanDerWaalsContact C-N 3.35Å; T350-M352 PolarHBondContact O-N 3.12Å; T350-E354 WeakPolarHBondContact O-CB 3.45Å; T350-E354 PolarHBondContact O-N 3.26Å
351M96.4Very high95.8Very high18 Ų1866.5 Ų66.59%0.08933%0.326CS..Hα-helixtrans-59.7-45178.8-72.3173.26700112.1F337 L341 A347 V348 K349 F355 L361 L363F337-M351 HydrophobicContact CD2-CE 4.14Å; F337-M351 HydrophobicContact CE2-CE 4.48Å; F337-M351 HydrophobicContact CG-CE 4.21Å; L341-M351 HydrophobicContact CD1-SD 3.68Å; A347-M351 WeakPolarHBondContact O-CG 3.17Å; A347-M351 PolarHBondContact O-N 3Å; V348-M351 PolarHBondContact O-N 3.39Å; K349-M351 PolarHBondContact O-N 3.24Å; M351-F355 PolarHBondContact O-N 3.1Å; M351-L361 HydrophobicContact CB-CD1 4.21Å; M351-L361 HydrophobicContact CB-CD2 4.04Å; M351-L361 HydrophobicContact CE-CD2 3.78Å; M351-L361 HydrophobicContact CG-CD1 4.34Å; M351-L363 HydrophobicContact CE-CG 4.46Å
352M95.9Very high95.8Very high4 Ų472.2 Ų72.22%0.0235%0.345CS..Hα-helixtrans-79.4-32.7-174.1-64.4-50.3-46.300113.1F311 E334 F337 V348 K349 T350 E354 F355 Q356F311-M352 HydrophobicContact CE1-CE 4.42Å; E334-M352 HydrophobicContact CB-CE 4.41Å; E334-M352 HydrophobicContact CB-CG 3.99Å; E334-M352 HydrophobicContact CB-SD 3.99Å; E334-M352 HydrophobicContact CG-CG 3.87Å; F337-M352 HydrophobicContact CD2-SD 4.09Å; F337-M352 HydrophobicContact CE2-SD 4.27Å; V348-M352 HydrophobicContact CG1-CG 4.09Å; V348-M352 WeakPolarHBondContact O-CB 3.04Å; V348-M352 VanDerWaalsContact O-CG 3.29Å; V348-M352 WeakPolarHBondContact O-CG 3.38Å; V348-M352 PolarHBondContact O-N 3.39Å; K349-M352 PolarHBondContact O-N 3.46Å; T350-M352 VanDerWaalsContact C-N 3.35Å; T350-M352 PolarHBondContact O-N 3.12Å; M352-E354 VanDerWaalsContact C-N 3.35Å; M352-F355 HydrophobicContact CE-CB 4.27Å; M352-F355 HydrophobicContact CE-CD1 3.77Å; M352-F355 HydrophobicContact CE-CG 4.33Å; M352-F355 PolarHBondContact O-N 3.21Å; M352-Q356 WeakPolarHBondContact O-CB 3.37Å; M352-Q356 WeakPolarHBondContact O-CG 3.43Å; M352-Q356 PolarHBondContact O-N 3.27Å
353E94.8Very high95.9Very high88 Ų8867.4 Ų67.441%0.41132%0.319SS..Hα-helixtrans-66.4-38170.3-73.3178.6166.600111.4K349 Q356 R357K349-E353 WeakPolarHBondContact CE-OE1 3.24Å; K349-E353 HydrophobicContact CG-CG 4.26Å; K349-E353 IonicContact NZ-OE1 3.92Å; K349-E353 WeakPolarHBondContact O-CB 3.43Å; K349-E353 WeakPolarHBondContact O-CG 3.49Å; K349-E353 PolarHBondContact O-N 3.02Å; E353-Q356 PolarHBondContact O-N 2.91Å; E353-R357 WeakPolarHBondContact O-CB 3.45Å; E353-R357 PolarHBondContact O-N 2.84Å; E353-R357 VanDerWaalsContact O-N 3.11Å
354E95.1Very high95.9Very high83 Ų8365.5 Ų65.539%0.38832%0.32SS..Hα-helixtrans-61.4-50.2172.5-176.3179.617800111.1T350 M352 Q356 R357 S358T350-E354 WeakPolarHBondContact O-CB 3.45Å; T350-E354 PolarHBondContact O-N 3.26Å; M352-E354 VanDerWaalsContact C-N 3.35Å; E354-Q356 PolarHBondContact O-N 3.46Å; E354-R357 PolarHBondContact O-N 2.92Å; E354-S358 PolarHBondContact O-N 3.47Å; E354-S358 PolarHBondContact O-OG 3.43Å
355F95.6Very high95.8Very high3 Ų365.4 Ų65.41%0.01332%0.317CS..Hα-helixtrans-60-43.4177.9178.9-105.6000112.1I301 F311 M313 M351 M352 R357 S358 H359 L361I301-F355 HydrophobicContact CD1-CE2 4.26Å; I301-F355 HydrophobicContact CD1-CZ 4.28Å; F311-F355 AromaticContact CD1-CD2 3.46Å; F311-F355 HydrophobicContact CD1-CD2 3.46Å; F311-F355 VanDerWaalsContact CD1-CD2 3.46Å; F311-F355 AromaticContact CD1-CE2 3.56Å; F311-F355 HydrophobicContact CD1-CE2 3.56Å; F311-F355 AromaticContact CD1-CG 3.97Å; F311-F355 HydrophobicContact CD1-CG 3.97Å; F311-F355 HydrophobicContact CD1-CZ 4.13Å; F311-F355 AromaticContact CE1-CD1 3.8Å; F311-F355 HydrophobicContact CE1-CD1 3.8Å; F311-F355 AromaticContact CE1-CD2 3.57Å; F311-F355 HydrophobicContact CE1-CD2 3.57Å; F311-F355 AromaticContact CE1-CE1 3.75Å; F311-F355 HydrophobicContact CE1-CE1 3.75Å; F311-F355 AromaticContact CE1-CE2 3.52Å; F311-F355 HydrophobicContact CE1-CE2 3.52Å; F311-F355 AromaticContact CE1-CG 3.7Å; F311-F355 HydrophobicContact CE1-CG 3.7Å; F311-F355 AromaticContact CE1-CZ 3.61Å; F311-F355 HydrophobicContact CE1-CZ 3.61Å; F311-F355 HydrophobicContact CG-CE2 4.48Å; F311-F355 HydrophobicContact CZ-CE1 4.34Å; F311-F355 HydrophobicContact CZ-CE2 4.42Å; F311-F355 HydrophobicContact CZ-CZ 4.18Å; F311-F355 WeakPolarHBondContact O-CD2 3.35Å; F311-F355 WeakPolarHBondContact O-CE2 3.5Å; M313-F355 HydrophobicContact CG-CE2 4.09Å; M313-F355 HydrophobicContact CG-CZ 3.74Å; M313-F355 HydrophobicContact SD-CZ 4.14Å; M351-F355 PolarHBondContact O-N 3.1Å; M352-F355 HydrophobicContact CE-CB 4.27Å; M352-F355 HydrophobicContact CE-CD1 3.77Å; M352-F355 HydrophobicContact CE-CG 4.33Å; M352-F355 PolarHBondContact O-N 3.21Å; F355-R357 VanDerWaalsContact C-N 3.25Å; F355-R357 PolarHBondContact O-N 3.02Å; F355-S358 PolarHBondContact O-N 2.79Å; F355-H359 WeakPolarHBondContact O-CA 3.18Å; F355-H359 PolarHBondContact O-N 3.01Å; F355-L361 HydrophobicContact CB-CB 4.28Å; F355-L361 HydrophobicContact CD2-CB 4.22Å
356Q91.6Very high95.7Very high81 Ų8169.9 Ų69.938%0.37934%0.339SS..Hα-helixtrans-62.7-32.4178.2-77171.7-14.800112.7R7 M352 E353 E354R7-Q356 VanDerWaalsContact NH1-OE1 3.13Å; M352-Q356 WeakPolarHBondContact O-CB 3.37Å; M352-Q356 WeakPolarHBondContact O-CG 3.43Å; M352-Q356 PolarHBondContact O-N 3.27Å; E353-Q356 PolarHBondContact O-N 2.91Å; E354-Q356 PolarHBondContact O-N 3.46Å
357R93.2Very high95.6Very high202 Ų20268.3 Ų68.376%0.76232%0.321SS*.Hα-helixtrans-81-40.2179.4-178.1179.761.9-163.6-4.8113.1E353 E354 F355E353-R357 WeakPolarHBondContact O-CB 3.45Å; E353-R357 PolarHBondContact O-N 2.84Å; E353-R357 VanDerWaalsContact O-N 3.11Å; E354-R357 PolarHBondContact O-N 2.92Å; F355-R357 VanDerWaalsContact C-N 3.25Å; F355-R357 PolarHBondContact O-N 3.02Å
358S94.8Very high95.6Very high49 Ų4969.1 Ų69.134%0.34332%0.318SS..Hα-helixtrans-109.1-11.4-169.173.60000114.1E354 F355 R360E354-S358 PolarHBondContact O-N 3.47Å; E354-S358 PolarHBondContact O-OG 3.43Å; F355-S358 PolarHBondContact O-N 2.79Å; S358-R360 WeakPolarHBondContact O-CG 3.15Å; S358-R360 PolarHBondContact O-N 3.12Å; S358-R360 PolarHBondContact OG-N 2.86Å; S358-R360 PolarHBondContact OG-O 3.35Å
359H95.8Very high95.5Very high91 Ų9176 Ų7642%0.42134%0.344SS..SBendtrans56.720.2-166.6-57.3-64.7000114S312 M313 F355S312-H359 WeakPolarHBondContact CA-O 3.38Å; M313-H359 HydrophobicContact CB-CB 4.16Å; M313-H359 HydrophobicContact CG-CB 4.11Å; M313-H359 PolarHBondContact N-O 3.49Å; M313-H359 HydrophobicContact SD-CB 3.88Å; M313-H359 PolarHBondContact SD-ND1 3.42Å; F355-H359 WeakPolarHBondContact O-CA 3.18Å; F355-H359 PolarHBondContact O-N 3.01Å
360R96.1Very high95.4Very high174 Ų17475.5 Ų75.566%0.65735%0.345SS*.EExtended strand (participates in β ladder)trans-142.3135.8-174.6-61.4-177.7178-155.3-2110.5S358S358-R360 WeakPolarHBondContact O-CG 3.15Å; S358-R360 PolarHBondContact O-N 3.12Å; S358-R360 PolarHBondContact OG-N 2.86Å; S358-R360 PolarHBondContact OG-O 3.35Å
361L96.1Very high95.4Very high9 Ų971.2 Ų71.25%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-144.5135.6172.1176.570.4000108.3F311 F337 M351 F355 L363F311-L361 CarbonylContact C-O 3.49Å; F311-L361 WeakPolarHBondContact CA-O 3.49Å; F311-L361 HydrophobicContact CB-CB 4.15Å; F311-L361 HydrophobicContact CB-CD2 4.48Å; F311-L361 HydrophobicContact CD1-CB 4.02Å; F311-L361 HydrophobicContact CD1-CD2 3.95Å; F311-L361 PolarHBondContact N-O 2.84Å; F311-L361 PolarHBondContact O-N 2.99Å; F337-L361 HydrophobicContact CE2-CD2 4.48Å; M351-L361 HydrophobicContact CB-CD1 4.21Å; M351-L361 HydrophobicContact CB-CD2 4.04Å; M351-L361 HydrophobicContact CE-CD2 3.78Å; M351-L361 HydrophobicContact CG-CD1 4.34Å; F355-L361 HydrophobicContact CB-CB 4.28Å; F355-L361 HydrophobicContact CD2-CB 4.22Å; L361-L363 HydrophobicContact CD2-CD1 4.11Å; L361-L363 HydrophobicContact CG-CD1 4.28Å
362R96.6Very high95.4Very high152 Ų15272.3 Ų72.357%0.57433%0.331SS*.EExtended strand (participates in β ladder)trans-108.8114.2172.7-175.569.7177169.73.9108.4S308 G309 P364S308-R362 PolarHBondContact O-NH1 3.02Å; S308-R362 PolarHBondContact O-NH2 2.88Å; G309-R362 CarbonylContact O-C 3.56Å; G309-R362 WeakPolarHBondContact O-CA 3.37Å; G309-R362 WeakPolarHBondContact O-CD 3.28Å; R362-P364 WeakPolarHBondContact O-CD 3.4Å
363L96Very high95.3Very high4 Ų479.3 Ų79.32%0.02136%0.363CS..  trans-66.7128.2174-85.565.8000109.3T305 G309 F311 F337 M351 L361 R368 L371T305-L363 HydrophobicContact CG2-CD1 3.94Å; T305-L363 HydrophobicContact CG2-CD2 3.79Å; G309-L363 PolarHBondContact O-N 3.39Å; F311-L363 HydrophobicContact CB-CD1 3.92Å; F337-L363 HydrophobicContact CE1-CD1 4.47Å; F337-L363 HydrophobicContact CE1-CD2 3.94Å; F337-L363 HydrophobicContact CZ-CD1 4.23Å; F337-L363 HydrophobicContact CZ-CD2 4.49Å; M351-L363 HydrophobicContact CE-CG 4.46Å; L361-L363 HydrophobicContact CD2-CD1 4.11Å; L361-L363 HydrophobicContact CG-CD1 4.28Å; L363-R368 HydrophobicContact CB-CB 4.41Å; L363-L371 HydrophobicContact CD2-CD2 4.02Å
364P95.6Very high95.2Very high62 Ų6277.5 Ų77.540%0.40336%0.358SS..  trans-50.5144.7164.8-28.736.7000111.8R362 N366 Q367 R368R362-P364 WeakPolarHBondContact O-CD 3.4Å; P364-N366 WeakPolarHBondContact CB-OD1 3.48Å; P364-N366 PolarHBondContact O-N 3.18Å; P364-Q367 HydrophobicContact CB-CG 4.32Å; P364-Q367 PolarHBondContact O-N 2.88Å; P364-R368 PolarHBondContact O-N 2.99Å
365E95.8Very high95.3Very high80 Ų8073.9 Ų73.937%0.37434%0.342SS..Hα-helixtrans-57.7-35.3-173.7174.758.9-166.700113.2R368 R369E365-R368 VanDerWaalsContact CD-NH2 3.27Å; E365-R368 IonicContact OE1-CZ 3.69Å; E365-R368 IonicContact OE1-NE 3.85Å; E365-R368 IonicContact OE1-NH2 3.97Å; E365-R368 PolarHBondContact OE1-NH2 3.42Å; E365-R368 IonicContact OE2-CZ 3.62Å; E365-R368 IonicContact OE2-NE 3.81Å; E365-R368 PolarHBondContact OE2-NE 3.29Å; E365-R368 IonicContact OE2-NH2 3.9Å; E365-R368 PolarHBondContact OE2-NH2 3.31Å; E365-R368 VanDerWaalsContact OE2-NH2 3.11Å; E365-R369 WeakPolarHBondContact O-CG 3.46Å; E365-R369 PolarHBondContact O-N 3.08Å; E365-R369 IonicContact OE1-CZ 3.98Å; E365-R369 IonicContact OE1-NE 2.91Å; E365-R369 PolarHBondContact OE1-NE 3.28Å; E365-R369 IonicContact OE1-NH2 3.81Å; E365-R369 PolarHBondContact OE1-NH2 2.91Å; E365-R369 VanDerWaalsContact OE1-NH2 3.13Å
366N95.3Very high95.3Very high102 Ų10276.5 Ų76.555%0.54536%0.358SS..Hα-helixtrans-64.3-45.4174.461.5-43.6000112P364 R369 L370P364-N366 WeakPolarHBondContact CB-OD1 3.48Å; P364-N366 PolarHBondContact O-N 3.18Å; N366-R369 PolarHBondContact O-N 3.02Å; N366-L370 WeakPolarHBondContact O-CG 3.26Å; N366-L370 PolarHBondContact O-N 3.23Å; N366-L370 VanDerWaalsContact O-N 3.1Å
367Q95.2Very high95.6Very high31 Ų3173.2 Ų73.215%0.14534%0.343CS..Hα-helixtrans-66.6-40.2177.5-62.4-178.3-2.800111.3L341 P364 R369 L370 L371L341-Q367 HydrophobicContact CD2-CG 3.81Å; P364-Q367 HydrophobicContact CB-CG 4.32Å; P364-Q367 PolarHBondContact O-N 2.88Å; Q367-R369 VanDerWaalsContact C-N 3.35Å; Q367-R369 PolarHBondContact O-N 2.85Å; Q367-L370 PolarHBondContact O-N 2.81Å; Q367-L371 WeakPolarHBondContact O-CB 3.32Å; Q367-L371 PolarHBondContact O-N 3.29Å
368R96.8Very high95.8Very high45 Ų4563.8 Ų63.817%0.1731%0.309CS..Hα-helixtrans-60-43.2175-171.7-163.767.375.80.1111.8T307 S308 G309 L363 P364 E365 L371 A372T307-R368 PolarHBondContact O-NH1 2.7Å; S308-R368 WeakPolarHBondContact O-CD 3.35Å; G309-R368 VanDerWaalsContact N-CD 3.26Å; L363-R368 HydrophobicContact CB-CB 4.41Å; P364-R368 PolarHBondContact O-N 2.99Å; E365-R368 VanDerWaalsContact CD-NH2 3.27Å; E365-R368 IonicContact OE1-CZ 3.69Å; E365-R368 IonicContact OE1-NE 3.85Å; E365-R368 IonicContact OE1-NH2 3.97Å; E365-R368 PolarHBondContact OE1-NH2 3.42Å; E365-R368 IonicContact OE2-CZ 3.62Å; E365-R368 IonicContact OE2-NE 3.81Å; E365-R368 PolarHBondContact OE2-NE 3.29Å; E365-R368 IonicContact OE2-NH2 3.9Å; E365-R368 PolarHBondContact OE2-NH2 3.31Å; E365-R368 VanDerWaalsContact OE2-NH2 3.11Å; R368-L371 PolarHBondContact O-N 2.84Å; R368-A372 WeakPolarHBondContact O-CB 3.47Å; R368-A372 PolarHBondContact O-N 2.95Å
369R96Very high96Very high143 Ų14363.4 Ų63.454%0.5431%0.309SS..Hα-helixtrans-62.6-47.4176.4-75.3179.2-160.7171.56.8112E365 N366 Q367 L371 A372 E373E365-R369 WeakPolarHBondContact O-CG 3.46Å; E365-R369 PolarHBondContact O-N 3.08Å; E365-R369 IonicContact OE1-CZ 3.98Å; E365-R369 IonicContact OE1-NE 2.91Å; E365-R369 PolarHBondContact OE1-NE 3.28Å; E365-R369 IonicContact OE1-NH2 3.81Å; E365-R369 PolarHBondContact OE1-NH2 2.91Å; E365-R369 VanDerWaalsContact OE1-NH2 3.13Å; N366-R369 PolarHBondContact O-N 3.02Å; Q367-R369 VanDerWaalsContact C-N 3.35Å; Q367-R369 PolarHBondContact O-N 2.85Å; R369-L371 PolarHBondContact O-N 2.87Å; R369-A372 CarbonylContact O-C 3.34Å; R369-A372 PolarHBondContact O-N 3.08Å; R369-A372 VanDerWaalsContact O-N 3.07Å; R369-E373 WeakPolarHBondContact O-CG 3.23Å; R369-E373 PolarHBondContact O-N 3.4Å
370L94.6Very high96.1Very high74 Ų7459.3 Ų59.339%0.38729%0.29SS..Hα-helixtrans-56.7-41.8175.3-68.5171.2000111.3L340 N366 Q367 E373L340-L370 HydrophobicContact CD1-CB 3.66Å; L340-L370 HydrophobicContact CG-CB 4.21Å; N366-L370 WeakPolarHBondContact O-CG 3.26Å; N366-L370 PolarHBondContact O-N 3.23Å; N366-L370 VanDerWaalsContact O-N 3.1Å; Q367-L370 PolarHBondContact O-N 2.81Å; L370-E373 PolarHBondContact O-N 3.07Å
371L96.1Very high96.2Very high0 Ų054.3 Ų54.30%028%0.282CS..Hα-helixtrans-65.5-41.1177-177.661.1000111.8T305 V306 M333 V336 F337 L340 L363 Q367 R368 R369 E373 V374 L375T305-L371 HydrophobicContact CG2-CD2 3.88Å; V306-L371 HydrophobicContact CG2-CD2 3.78Å; V306-L371 HydrophobicContact CG2-CG 3.94Å; M333-L371 HydrophobicContact CE-CD2 4.42Å; V336-L371 HydrophobicContact CG1-CD1 3.87Å; F337-L371 HydrophobicContact CE1-CD2 4.45Å; L340-L371 HydrophobicContact CD1-CB 4.49Å; L340-L371 HydrophobicContact CD2-CB 3.95Å; L363-L371 HydrophobicContact CD2-CD2 4.02Å; Q367-L371 WeakPolarHBondContact O-CB 3.32Å; Q367-L371 PolarHBondContact O-N 3.29Å; R368-L371 PolarHBondContact O-N 2.84Å; R369-L371 PolarHBondContact O-N 2.87Å; L371-E373 VanDerWaalsContact C-N 3.29Å; L371-E373 PolarHBondContact O-N 3.48Å; L371-V374 HydrophobicContact CD1-CG2 4.36Å; L371-V374 VanDerWaalsContact O-CG2 3.3Å; L371-V374 WeakPolarHBondContact O-CG2 3.41Å; L371-V374 PolarHBondContact O-N 3.38Å; L371-L375 HydrophobicContact CD1-CB 4.33Å; L371-L375 HydrophobicContact CD1-CD2 4.32Å; L371-L375 WeakPolarHBondContact O-CB 3.28Å; L371-L375 PolarHBondContact O-N 3.04Å
372A96.4Very high96.4Very high42 Ų4256.2 Ų56.235%0.34729%0.292SS..Hα-helixtrans-70.8-21.6178.500000113.7V306 R368 R369V306-A372 HydrophobicContact CG1-CB 4.26Å; R368-A372 WeakPolarHBondContact O-CB 3.47Å; R368-A372 PolarHBondContact O-N 2.95Å; R369-A372 CarbonylContact O-C 3.34Å; R369-A372 PolarHBondContact O-N 3.08Å; R369-A372 VanDerWaalsContact O-N 3.07Å
373E93.7Very high96.4Very high150 Ų15053.3 Ų53.370%0.70129%0.293SS*.Hα-helixtrans-69.9-33.9171.8-74.7169.7-169.400111.9R369 L370 L371R369-E373 WeakPolarHBondContact O-CG 3.23Å; R369-E373 PolarHBondContact O-N 3.4Å; L370-E373 PolarHBondContact O-N 3.07Å; L371-E373 VanDerWaalsContact C-N 3.29Å; L371-E373 PolarHBondContact O-N 3.48Å
374V92.5Very high96.6Very high51 Ų5153.6 Ų53.631%0.30930%0.296SS..Hα-helixtrans-100.1-23.1-175.6-58.50000114F281 L371F281-V374 HydrophobicContact CE2-CB 3.95Å; F281-V374 HydrophobicContact CE2-CG1 4.08Å; F281-V374 HydrophobicContact CE2-CG2 3.9Å; F281-V374 HydrophobicContact CZ-CG2 4.13Å; L371-V374 HydrophobicContact CD1-CG2 4.36Å; L371-V374 VanDerWaalsContact O-CG2 3.3Å; L371-V374 WeakPolarHBondContact O-CG2 3.41Å; L371-V374 PolarHBondContact O-N 3.38Å
375L96.9Very high96.7Very high7 Ų750.6 Ų50.64%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-134.2120.3-172.9-175.462000111.6I277 L292 A294 V306 L371 T377I277-L375 HydrophobicContact CD1-CD1 3.84Å; I277-L375 HydrophobicContact CG1-CD1 3.84Å; L292-L375 HydrophobicContact CB-CD1 3.84Å; A294-L375 HydrophobicContact CB-CD1 3.92Å; A294-L375 HydrophobicContact CB-CD2 4.43Å; A294-L375 HydrophobicContact CB-CG 4.5Å; V306-L375 VanDerWaalsContact CG1-O 3.23Å; V306-L375 WeakPolarHBondContact CG1-O 3.4Å; V306-L375 HydrophobicContact CG2-CD2 3.87Å; V306-L375 HydrophobicContact CG2-CG 4.26Å; L371-L375 HydrophobicContact CD1-CB 4.33Å; L371-L375 HydrophobicContact CD1-CD2 4.32Å; L371-L375 WeakPolarHBondContact O-CB 3.28Å; L371-L375 PolarHBondContact O-N 3.04Å; L375-T377 HydrophobicContact CD2-CG2 4.32Å; L375-T377 HydrophobicContact CG-CG2 4.12Å
376V97.1Very high96.9Very high58 Ų5848.4 Ų48.435%0.35227%0.268SS..EExtended strand (participates in β ladder)trans-92.1149.6167.21800000109L292 V293 A294L292-V376 PolarHBondContact O-N 2.67Å; V293-V376 CarbonylContact C-O 3.59Å; V293-V376 VanDerWaalsContact CA-O 3.28Å; V293-V376 WeakPolarHBondContact CA-O 3.48Å; V293-V376 HydrophobicContact CG1-CB 4.46Å; V293-V376 HydrophobicContact CG1-CG1 4.38Å; V293-V376 HydrophobicContact CG2-CB 4.22Å; A294-V376 PolarHBondContact N-O 2.92Å
377T97.8Very high97Very high11 Ų1147.5 Ų47.57%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-137.5161.2179.359.40000113.7A294 H303 V306 L375A294-T377 HydrophobicContact CB-CG2 4.2Å; A294-T377 WeakPolarHBondContact O-CA 3.47Å; H303-T377 WeakPolarHBondContact ND1-CB 3.39Å; H303-T377 PolarHBondContact ND1-OG1 3.47Å; V306-T377 HydrophobicContact CB-CG2 3.75Å; V306-T377 HydrophobicContact CG1-CG2 4.07Å; V306-T377 HydrophobicContact CG2-CG2 3.48Å; V306-T377 VanDerWaalsContact CG2-CG2 3.48Å; L375-T377 HydrophobicContact CD2-CG2 4.32Å; L375-T377 HydrophobicContact CG-CG2 4.12Å
378G97.8Very high97.2Very high4 Ų446.1 Ų46.14%0.04125%0.254CS..EExtended strand (participates in β ladder)trans-156.2154.7167.900000111.4A294 M295 V296A294-G378 PolarHBondContact O-N 2.68Å; M295-G378 WeakPolarHBondContact CA-O 3.41Å; V296-G378 WeakPolarHBondContact CG2-O 3.41Å; V296-G378 PolarHBondContact N-O 3.45Å
379A98Very high97.3Very high42 Ų4244 Ų4435%0.34725%0.246SC..EExtended strand (participates in β ladder)trans-113.9143.6175.700000110.5V296 D300V296-A379 HydrophobicContact CG2-CB 3.85Å; V296-A379 CarbonylContact O-C 3.42Å; V296-A379 WeakPolarHBondContact O-CA 3.37Å; D300-A379 HydrophobicContact CB-CB 4.22Å
380V98.4Very high97.4Very high5 Ų540.9 Ų40.93%0.0323%0.234CC..  trans-128.4132.3-176.5-169.30000110M295 V296 N297 I385 V406 W409M295-V380 HydrophobicContact CE-CG2 3.6Å; V296-V380 PolarHBondContact O-N 3.15Å; N297-V380 CarbonylContact C-O 3.57Å; N297-V380 VanDerWaalsContact CA-O 3.25Å; N297-V380 WeakPolarHBondContact CA-O 3.38Å; V380-I385 HydrophobicContact CG1-CG1 3.99Å; V380-V406 HydrophobicContact CB-CG1 4.43Å; V380-V406 HydrophobicContact CG2-CG1 4.16Å; V380-W409 HydrophobicContact CB-CG 4.47Å; V380-W409 HydrophobicContact CG1-CB 4.12Å; V380-W409 HydrophobicContact CG1-CD2 4.3Å; V380-W409 HydrophobicContact CG1-CG 3.74Å; V380-W409 HydrophobicContact CG2-CB 3.89Å; V380-W409 HydrophobicContact CG2-CD2 3.88Å; V380-W409 HydrophobicContact CG2-CE3 4.08Å; V380-W409 HydrophobicContact CG2-CG 3.8Å
381S98.4Very high97.6Very high68 Ų6841.4 Ų41.448%0.47623%0.231SC..  trans-85.3160.9174.564.30000111.7G384 I385S381-G384 CarbonylContact O-C 3.59Å; S381-G384 WeakPolarHBondContact O-CA 3.49Å; S381-G384 PolarHBondContact O-N 3.48Å; S381-I385 PolarHBondContact O-N 2.84Å
382D98.6Very high97.7Very high50 Ų5041.4 Ų41.427%0.26723%0.231SC..Hα-helixtrans-53.2-43.1175.9-79.8-9.2000113.7T320 L321 G384 I385 L386T320-D382 WeakPolarHBondContact CB-OD1 3.4Å; L321-D382 HydrophobicContact CD1-CB 3.93Å; L321-D382 HydrophobicContact CG-CB 4.13Å; L321-D382 PolarHBondContact N-OD1 3.12Å; L321-D382 PolarHBondContact N-OD2 3.39Å; D382-G384 VanDerWaalsContact C-N 3.27Å; D382-G384 PolarHBondContact O-N 3.34Å; D382-I385 WeakPolarHBondContact O-CB 3.27Å; D382-I385 PolarHBondContact O-N 2.91Å; D382-I385 VanDerWaalsContact O-N 3.14Å; D382-L386 WeakPolarHBondContact O-CG 3.37Å; D382-L386 PolarHBondContact O-N 3.24Å
383P98.6Very high97.8Very high90 Ų9043.1 Ų43.158%0.58423%0.229SC*.Hα-helixtrans-57.2-38.7171.3-27.535.9000113.5L386 E387P383-L386 PolarHBondContact O-N 3.3Å; P383-E387 WeakPolarHBondContact O-CB 3.22Å; P383-E387 PolarHBondContact O-N 2.83Å
384G98.6Very high98Very high10 Ų1041.7 Ų41.710%0.10322%0.222CC..Hα-helixtrans-67-35.7175.600000113.2S381 D382 T388S381-G384 CarbonylContact O-C 3.59Å; S381-G384 WeakPolarHBondContact O-CA 3.49Å; S381-G384 PolarHBondContact O-N 3.48Å; D382-G384 VanDerWaalsContact C-N 3.27Å; D382-G384 PolarHBondContact O-N 3.34Å; G384-T388 WeakPolarHBondContact O-CB 3.44Å; G384-T388 PolarHBondContact O-N 2.91Å; G384-T388 PolarHBondContact O-OG1 3.5Å
385I98.8Very high98.3Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-62.4-52.1173.2-65.5175000109.8L321 A322 V380 S381 D382 E387 T388 M389 P402 A405 V406L321-I385 HydrophobicContact CB-CD1 4.5Å; A322-I385 HydrophobicContact CB-CD1 4.24Å; V380-I385 HydrophobicContact CG1-CG1 3.99Å; S381-I385 PolarHBondContact O-N 2.84Å; D382-I385 WeakPolarHBondContact O-CB 3.27Å; D382-I385 PolarHBondContact O-N 2.91Å; D382-I385 VanDerWaalsContact O-N 3.14Å; I385-E387 PolarHBondContact O-N 3.26Å; I385-T388 PolarHBondContact O-N 3.45Å; I385-M389 HydrophobicContact CG2-SD 4.01Å; I385-M389 WeakPolarHBondContact O-CG 3.44Å; I385-M389 PolarHBondContact O-N 3.01Å; I385-P402 HydrophobicContact CG2-CB 3.72Å; I385-A405 HydrophobicContact CG2-CB 4.03Å; I385-V406 HydrophobicContact CD1-CG2 3.52Å; I385-V406 HydrophobicContact CG1-CG2 3.66Å
386L98.8Very high98.3Very high34 Ų3443 Ų4318%0.17823%0.226CC..Hα-helixtrans-61.6-43.4-179.2-65.4176.5000112.3L321 D382 P383 T388 M389 R390 K439 A440L321-L386 HydrophobicContact CD1-CD1 4.02Å; L321-L386 HydrophobicContact CD1-CD2 3.48Å; L321-L386 VanDerWaalsContact CD1-CD2 3.48Å; L321-L386 HydrophobicContact CD1-CG 3.56Å; D382-L386 WeakPolarHBondContact O-CG 3.37Å; D382-L386 PolarHBondContact O-N 3.24Å; P383-L386 PolarHBondContact O-N 3.3Å; L386-T388 VanDerWaalsContact C-N 3.34Å; L386-T388 PolarHBondContact O-N 2.86Å; L386-M389 PolarHBondContact O-N 3.45Å; L386-R390 PolarHBondContact O-N 3.14Å; L386-K439 HydrophobicContact CD1-CB 4.48Å; L386-K439 HydrophobicContact CD2-CB 3.94Å; L386-A440 HydrophobicContact CD2-CB 3.87Å
387E98.6Very high98.3Very high83 Ų8348.2 Ų48.239%0.38824%0.239SC..Hα-helixtrans-58.7-45.3174.1177.559.1-14400111.7P383 I385 M389 R390 R391P383-E387 WeakPolarHBondContact O-CB 3.22Å; P383-E387 PolarHBondContact O-N 2.83Å; I385-E387 PolarHBondContact O-N 3.26Å; E387-M389 PolarHBondContact O-N 2.84Å; E387-R390 PolarHBondContact O-N 3.38Å; E387-R390 IonicContact OE1-NH1 2.72Å; E387-R390 IonicContact OE2-CZ 2.69Å; E387-R390 IonicContact OE2-NH1 3.13Å; E387-R390 PolarHBondContact OE2-NH1 3.13Å; E387-R390 IonicContact OE2-NH2 3.47Å; E387-R390 PolarHBondContact OE2-NH2 3.24Å; E387-R391 WeakPolarHBondContact O-CB 3.19Å; E387-R391 PolarHBondContact O-N 2.94Å
388T98.8Very high98.4Very high2 Ų249.3 Ų49.31%0.01224%0.242CC..Hα-helixtrans-63.8-41.4179.1-60.90000111.9G384 I385 L386 C392 L400 A405 V408 W409 Y412G384-T388 WeakPolarHBondContact O-CB 3.44Å; G384-T388 PolarHBondContact O-N 2.91Å; G384-T388 PolarHBondContact O-OG1 3.5Å; I385-T388 PolarHBondContact O-N 3.45Å; L386-T388 VanDerWaalsContact C-N 3.34Å; L386-T388 PolarHBondContact O-N 2.86Å; T388-C392 WeakPolarHBondContact O-CB 3.49Å; T388-C392 PolarHBondContact O-N 3.33Å; T388-L400 HydrophobicContact CG2-CD1 3.99Å; T388-A405 HydrophobicContact CG2-CB 3.94Å; T388-A405 WeakPolarHBondContact CG2-O 3.3Å; T388-V408 HydrophobicContact CG2-CB 3.98Å; T388-V408 HydrophobicContact CG2-CG1 3.92Å; T388-W409 VanDerWaalsContact OG1-CD1 3.31Å; T388-Y412 HydrophobicContact CG2-CD2 4Å; T388-Y412 HydrophobicContact CG2-CE2 4.22Å
389M98.8Very high98.4Very high0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-60.5-49.3175.8-70.1173.660.800111.1I385 L386 E387 W393 L400 P402 A405 V437 A440 L442I385-M389 HydrophobicContact CG2-SD 4.01Å; I385-M389 WeakPolarHBondContact O-CG 3.44Å; I385-M389 PolarHBondContact O-N 3.01Å; L386-M389 PolarHBondContact O-N 3.45Å; E387-M389 PolarHBondContact O-N 2.84Å; M389-W393 PolarHBondContact O-N 2.8Å; M389-W393 VanDerWaalsContact O-N 3.08Å; M389-L400 WeakPolarHBondContact CE-O 3.37Å; M389-L400 HydrophobicContact CG-CB 4.31Å; M389-P402 HydrophobicContact SD-CB 4.39Å; M389-A405 HydrophobicContact CG-CB 3.58Å; M389-A405 HydrophobicContact SD-CB 4.48Å; M389-V437 HydrophobicContact CE-CG2 4.16Å; M389-A440 HydrophobicContact CB-CB 4.15Å; M389-A440 HydrophobicContact CE-CB 4.02Å; M389-L442 HydrophobicContact CB-CD1 4.29Å
390R98.7Very high98.4Very high77 Ų7748.1 Ų48.129%0.29123%0.229SC..Hα-helixtrans-60.2-51.1177.5-76.7-172-76.996.2-1.8112.2L386 E387 C392 W393 E394 A440L386-R390 PolarHBondContact O-N 3.14Å; E387-R390 PolarHBondContact O-N 3.38Å; E387-R390 IonicContact OE1-NH1 2.72Å; E387-R390 IonicContact OE2-CZ 2.69Å; E387-R390 IonicContact OE2-NH1 3.13Å; E387-R390 PolarHBondContact OE2-NH1 3.13Å; E387-R390 IonicContact OE2-NH2 3.47Å; E387-R390 PolarHBondContact OE2-NH2 3.24Å; R390-C392 VanDerWaalsContact C-N 3.33Å; R390-C392 PolarHBondContact O-N 2.84Å; R390-W393 WeakPolarHBondContact O-CB 3.44Å; R390-W393 PolarHBondContact O-N 2.8Å; R390-W393 VanDerWaalsContact O-N 3.14Å; R390-E394 WeakPolarHBondContact O-CG 3.48Å; R390-E394 PolarHBondContact O-N 2.86Å; R390-A440 WeakPolarHBondContact CD-O 3.22Å; R390-A440 HydrophobicContact CG-CB 4.32Å; R390-A440 WeakPolarHBondContact CG-O 3.21Å
391R98.3Very high98.4Very high86 Ų8647.9 Ų47.933%0.32523%0.227SC..Hα-helixtrans-60.7-41.4-178.3-174.1170.9176.2-177.1-5.7112.3E387 E394 Q395 Y412E387-R391 WeakPolarHBondContact O-CB 3.19Å; E387-R391 PolarHBondContact O-N 2.94Å; R391-E394 PolarHBondContact O-N 2.74Å; R391-Q395 HydrophobicContact CG-CG 4.4Å; R391-Q395 WeakPolarHBondContact O-CB 3.5Å; R391-Q395 VanDerWaalsContact O-CG 3.29Å; R391-Q395 WeakPolarHBondContact O-CG 3.26Å; R391-Q395 PolarHBondContact O-N 3.41Å; R391-Y412 HydrophobicContact CB-CE2 4.32Å; R391-Y412 HydrophobicContact CG-CD1 4.25Å; R391-Y412 HydrophobicContact CG-CD2 4.41Å; R391-Y412 HydrophobicContact CG-CE1 4.02Å; R391-Y412 HydrophobicContact CG-CE2 4.19Å; R391-Y412 HydrophobicContact CG-CG 4.44Å; R391-Y412 VanDerWaalsContact NE-CD1 3.27Å; R391-Y412 PolarHBondContact NH1-O 2.98Å
392C98.6Very high98.4Very high0 Ų044.7 Ų44.70%021%0.205CC..Hα-helixtrans-64.8-42.1176.3-166.80000111.8T388 R390 N396 L400 Y412T388-C392 WeakPolarHBondContact O-CB 3.49Å; T388-C392 PolarHBondContact O-N 3.33Å; R390-C392 VanDerWaalsContact C-N 3.33Å; R390-C392 PolarHBondContact O-N 2.84Å; C392-N396 WeakPolarHBondContact O-CA 3.46Å; C392-N396 VanDerWaalsContact O-CB 3.29Å; C392-N396 WeakPolarHBondContact O-CB 3.34Å; C392-N396 PolarHBondContact O-N 3.39Å; C392-L400 HydrophobicContact CB-CD1 3.4Å; C392-L400 VanDerWaalsContact CB-CD1 3.4Å; C392-L400 HydrophobicContact CB-CG 3.98Å; C392-Y412 WeakPolarHBondContact CA-OH 3.44Å; C392-Y412 HydrophobicContact CB-CE2 4.22Å
393W98.4Very high98.4Very high78 Ų7842.3 Ų42.330%0.29519%0.192SC..Hα-helixtrans-62.6-47.6175.4177.8-108.9000112.5M389 R390 Q395 R397 L399 L442M389-W393 PolarHBondContact O-N 2.8Å; M389-W393 VanDerWaalsContact O-N 3.08Å; R390-W393 WeakPolarHBondContact O-CB 3.44Å; R390-W393 PolarHBondContact O-N 2.8Å; R390-W393 VanDerWaalsContact O-N 3.14Å; W393-Q395 PolarHBondContact O-N 2.79Å; W393-R397 VanDerWaalsContact CE3-C 3.48Å; W393-R397 HydrophobicContact CZ3-CB 4.36Å; W393-R397 VanDerWaalsContact CZ3-O 3.3Å; W393-R397 WeakPolarHBondContact CZ3-O 3.16Å; W393-R397 WeakPolarHBondContact O-CA 3.07Å; W393-R397 WeakPolarHBondContact O-CD 3.29Å; W393-R397 PolarHBondContact O-N 3.21Å; W393-L399 HydrophobicContact CE3-CB 4.29Å; W393-L399 HydrophobicContact CZ3-CB 4.48Å; W393-L442 HydrophobicContact CB-CD1 3.99Å; W393-L442 HydrophobicContact CB-CD2 3.97Å; W393-L442 HydrophobicContact CG-CD1 4.37Å; W393-L442 HydrophobicContact CG-CD2 3.7Å
394E98.1Very high98.4Very high120 Ų12038.1 Ų38.156%0.56117%0.165SC*.Hα-helixtrans-61.2-43.4-179.8-73.4168.8-168.200112.2R390 R391R390-E394 WeakPolarHBondContact O-CG 3.48Å; R390-E394 PolarHBondContact O-N 2.86Å; R391-E394 PolarHBondContact O-N 2.74Å
395Q97.7Very high98.5Very high58 Ų5837.6 Ų37.627%0.27116%0.16SC..Hα-helixtrans-82.1-38.8-175.1-66.4-175.8-9.600112.9K96 R391 W393 Y412K96-Q395 WeakPolarHBondContact CD-O 3.26Å; K96-Q395 VanDerWaalsContact CE-O 3.23Å; K96-Q395 WeakPolarHBondContact CE-O 3.43Å; K96-Q395 PolarHBondContact NZ-O 2.84Å; R391-Q395 HydrophobicContact CG-CG 4.4Å; R391-Q395 WeakPolarHBondContact O-CB 3.5Å; R391-Q395 VanDerWaalsContact O-CG 3.29Å; R391-Q395 WeakPolarHBondContact O-CG 3.26Å; R391-Q395 PolarHBondContact O-N 3.41Å; W393-Q395 PolarHBondContact O-N 2.79Å; Q395-Y412 VanDerWaalsContact OE1-CE1 3.23Å; Q395-Y412 PolarHBondContact OE1-OH 2.95Å
396N98.1Very high98.5Very high28 Ų2837.6 Ų37.615%0.1516%0.16CC..Hα-helixtrans-119.5-10.3-167-61.5-66.8000114.3L95 K96 C392 Y398 Y412L95-N396 HydrophobicContact CB-CB 4.28Å; L95-N396 WeakPolarHBondContact CB-OD1 3.43Å; L95-N396 HydrophobicContact CD1-CB 4.16Å; L95-N396 HydrophobicContact CD2-CB 4.25Å; L95-N396 HydrophobicContact CG-CB 4.46Å; K96-N396 VanDerWaalsContact CB-OD1 3.27Å; K96-N396 WeakPolarHBondContact CB-OD1 3.28Å; K96-N396 WeakPolarHBondContact CG-OD1 3.22Å; K96-N396 PolarHBondContact N-OD1 2.97Å; C392-N396 WeakPolarHBondContact O-CA 3.46Å; C392-N396 VanDerWaalsContact O-CB 3.29Å; C392-N396 WeakPolarHBondContact O-CB 3.34Å; C392-N396 PolarHBondContact O-N 3.39Å; N396-Y398 PolarHBondContact O-N 2.82Å; N396-Y412 PolarHBondContact ND2-OH 3.05Å
397R97.5Very high98.5Very high167 Ų16736 Ų3663%0.6315%0.151SC*.  trans52.132-167.9-56.1-63.1179.2-164.40.7112.2W393W393-R397 VanDerWaalsContact CE3-C 3.48Å; W393-R397 HydrophobicContact CZ3-CB 4.36Å; W393-R397 VanDerWaalsContact CZ3-O 3.3Å; W393-R397 WeakPolarHBondContact CZ3-O 3.16Å; W393-R397 WeakPolarHBondContact O-CA 3.07Å; W393-R397 WeakPolarHBondContact O-CD 3.29Å; W393-R397 PolarHBondContact O-N 3.21Å
398Y98.3Very high98.5Very high34 Ų3432 Ų3213%0.13313%0.133CC..  trans-111.7119.2179.1-174.4-87.5000108.9A93 L95 V101 E103 N396 L400A93-Y398 HydrophobicContact CB-CD2 4.2Å; A93-Y398 HydrophobicContact CB-CE2 3.64Å; L95-Y398 HydrophobicContact CD1-CD1 3.88Å; L95-Y398 HydrophobicContact CD1-CD2 4.33Å; L95-Y398 HydrophobicContact CD1-CG 3.73Å; L95-Y398 HydrophobicContact CD2-CD2 4Å; L95-Y398 HydrophobicContact CD2-CG 4.07Å; V101-Y398 HydrophobicContact CG1-CE1 4.32Å; E103-Y398 VanDerWaalsContact CG-OH 3.31Å; E103-Y398 WeakPolarHBondContact CG-OH 3.24Å; E103-Y398 VanDerWaalsContact OE1-CE2 3.3Å; E103-Y398 WeakPolarHBondContact OE1-CE2 3.42Å; E103-Y398 PolarHBondContact OE1-OH 3.1Å; N396-Y398 PolarHBondContact O-N 2.82Å; Y398-L400 HydrophobicContact CD1-CD2 3.84Å; Y398-L400 HydrophobicContact CD1-CG 4.25Å; Y398-L400 HydrophobicContact CE1-CD2 3.63Å; Y398-L400 HydrophobicContact CE1-CG 4.42Å
399L98.3Very high98.4Very high19 Ų1934.6 Ų34.610%0.09914%0.142CC..PPolyproline II helixtrans-88.7121-177.9-174.766.1000110.9W393 P430 V437 L442 F444W393-L399 HydrophobicContact CE3-CB 4.29Å; W393-L399 HydrophobicContact CZ3-CB 4.48Å; L399-P430 HydrophobicContact CB-CG 4.33Å; L399-P430 HydrophobicContact CD2-CB 3.64Å; L399-P430 HydrophobicContact CD2-CG 3.86Å; L399-P430 HydrophobicContact CG-CB 3.78Å; L399-P430 HydrophobicContact CG-CG 4.01Å; L399-V437 HydrophobicContact CD1-CG1 4.38Å; L399-V437 HydrophobicContact CD2-CG1 4.23Å; L399-V437 HydrophobicContact CD2-CG2 4.25Å; L399-L442 HydrophobicContact CD1-CB 4.31Å; L399-L442 HydrophobicContact CD1-CD1 3.51Å; L399-F444 HydrophobicContact CD2-CB 3.45Å; L399-F444 VanDerWaalsContact CD2-CB 3.45Å; L399-F444 HydrophobicContact CD2-CD1 4.37Å; L399-F444 HydrophobicContact CD2-CD2 3.29Å; L399-F444 HydrophobicContact CD2-CE2 4.11Å; L399-F444 HydrophobicContact CD2-CG 3.44Å; L399-F444 VanDerWaalsContact CD2-CG 3.44Å
400L98.6Very high98.4Very high1 Ų135.2 Ų35.21%0.00515%0.145CC..PPolyproline II helixtrans-90.1142.1175.5-62.3168.3000110.5T388 M389 C392 Y398 T404 A405 V408T388-L400 HydrophobicContact CG2-CD1 3.99Å; M389-L400 WeakPolarHBondContact CE-O 3.37Å; M389-L400 HydrophobicContact CG-CB 4.31Å; C392-L400 HydrophobicContact CB-CD1 3.4Å; C392-L400 VanDerWaalsContact CB-CD1 3.4Å; C392-L400 HydrophobicContact CB-CG 3.98Å; Y398-L400 HydrophobicContact CD1-CD2 3.84Å; Y398-L400 HydrophobicContact CD1-CG 4.25Å; Y398-L400 HydrophobicContact CE1-CD2 3.63Å; Y398-L400 HydrophobicContact CE1-CG 4.42Å; L400-T404 HydrophobicContact CD2-CG2 3.52Å; L400-A405 HydrophobicContact CB-CB 4.21Å; L400-A405 HydrophobicContact CD1-CB 4.27Å; L400-V408 HydrophobicContact CD1-CB 3.96Å; L400-V408 HydrophobicContact CD1-CG1 3.92Å; L400-V408 HydrophobicContact CD1-CG2 4.23Å; L400-V408 HydrophobicContact CD2-CG2 3.99Å
401C98.6Very high98.3Very high1 Ų132.3 Ų32.31%0.00714%0.135CC..PPolyproline II helixtrans-72.7159.4157.583.10000109.8H403 T404 A405 A428 P430 F433C401-H403 VanDerWaalsContact C-N 3.28Å; C401-H403 PolarHBondContact O-N 3.34Å; C401-T404 PolarHBondContact O-N 3.49Å; C401-T404 VanDerWaalsContact O-N 3.12Å; C401-T404 PolarHBondContact SG-N 3Å; C401-T404 PolarHBondContact SG-OG1 2.88Å; C401-A405 PolarHBondContact O-N 3.45Å; C401-A428 WeakPolarHBondContact CB-O 3.25Å; C401-A428 PolarHBondContact SG-O 2.81Å; C401-P430 HydrophobicContact CB-CB 4.41Å; C401-F433 HydrophobicContact CB-CD2 3.86Å; C401-F433 HydrophobicContact CB-CE2 4.28Å
402P98.6Very high98.2Very high0 Ų029.1 Ų29.10%012%0.123CC..Hα-helixtrans-58.9-35.4-17821.7-33.4000113.4L321 A322 I385 M389 A405 V406 F433 A436L321-P402 HydrophobicContact CB-CB 4.2Å; L321-P402 VanDerWaalsContact O-CB 3.23Å; L321-P402 WeakPolarHBondContact O-CB 3.38Å; L321-P402 WeakPolarHBondContact O-CG 3.5Å; A322-P402 HydrophobicContact CB-CB 4.29Å; I385-P402 HydrophobicContact CG2-CB 3.72Å; M389-P402 HydrophobicContact SD-CB 4.39Å; P402-A405 WeakPolarHBondContact O-CB 3.37Å; P402-A405 PolarHBondContact O-N 2.99Å; P402-V406 WeakPolarHBondContact O-CG2 3.34Å; P402-V406 PolarHBondContact O-N 3.14Å; P402-F433 HydrophobicContact CG-CB 3.82Å; P402-F433 HydrophobicContact CG-CD1 3.92Å; P402-F433 HydrophobicContact CG-CD2 4.19Å; P402-F433 HydrophobicContact CG-CG 3.69Å; P402-A436 HydrophobicContact CB-CB 4.24Å; P402-A436 HydrophobicContact CG-CB 3.93Å
403H98.6Very high98Very high1 Ų133 Ų331%0.00514%0.144CC..Hα-helixtrans-64.5-44.6175.3-55.179.6000112.5P270 A322 A324 C401 A405 V406 A407 T427 F433P270-H403 WeakPolarHBondContact CB-O 2.94Å; A322-H403 WeakPolarHBondContact CA-NE2 3.23Å; A322-H403 PolarHBondContact O-NE2 3.35Å; A324-H403 WeakPolarHBondContact CB-NE2 3.5Å; A324-H403 PolarHBondContact N-NE2 2.95Å; A324-H403 VanDerWaalsContact N-NE2 3.19Å; C401-H403 VanDerWaalsContact C-N 3.28Å; C401-H403 PolarHBondContact O-N 3.34Å; H403-A405 VanDerWaalsContact C-N 3.28Å; H403-A405 PolarHBondContact O-N 3.46Å; H403-V406 WeakPolarHBondContact O-CB 3.46Å; H403-V406 PolarHBondContact O-N 3.01Å; H403-A407 PolarHBondContact O-N 3.46Å; H403-T427 WeakPolarHBondContact CB-OG1 3.49Å; H403-F433 AromaticContact CE1-CE1 3.37Å; H403-F433 WeakPolarHBondContact CE1-CE1 3.34Å; H403-F433 AromaticContact CE1-CE2 3.91Å; H403-F433 AromaticContact CE1-CZ 3.22Å; H403-F433 WeakPolarHBondContact CE1-CZ 3.43Å; H403-F433 AromaticContact ND1-CE1 3.95Å; H403-F433 AromaticContact ND1-CE2 3.68Å; H403-F433 AromaticContact ND1-CZ 3.47Å; H403-F433 WeakPolarHBondContact ND1-CZ 3.28Å
404T98.8Very high97.5Very high1 Ų135.7 Ų35.71%0.00615%0.154CC..Hα-helixtrans-67.4-35.5177.8-50.60000110.2V101 L400 C401 V406 A407 V408 A426V101-T404 HydrophobicContact CG1-CG2 4.22Å; L400-T404 HydrophobicContact CD2-CG2 3.52Å; C401-T404 PolarHBondContact O-N 3.49Å; C401-T404 VanDerWaalsContact O-N 3.12Å; C401-T404 PolarHBondContact SG-N 3Å; C401-T404 PolarHBondContact SG-OG1 2.88Å; T404-V406 VanDerWaalsContact C-N 3.31Å; T404-V406 PolarHBondContact O-N 3.03Å; T404-A407 PolarHBondContact O-N 3.18Å; T404-A407 VanDerWaalsContact O-N 3.11Å; T404-V408 HydrophobicContact CG2-CG2 4.1Å; T404-V408 WeakPolarHBondContact O-CG2 3.41Å; T404-V408 PolarHBondContact O-N 3.14Å; T404-A426 HydrophobicContact CG2-CB 3.43Å; T404-A426 VanDerWaalsContact CG2-CB 3.43Å; T404-A426 VanDerWaalsContact OG1-CA 3.28Å; T404-A426 WeakPolarHBondContact OG1-CA 3.48Å; T404-A426 WeakPolarHBondContact OG1-CB 3.21Å
405A98.8Very high96.7Very high0 Ų037.1 Ų37.10%017%0.171CC..Hα-helixtrans-62.3-34.6173.700000112.9I385 T388 M389 L400 C401 P402 H403 A407 V408 W409I385-A405 HydrophobicContact CG2-CB 4.03Å; T388-A405 HydrophobicContact CG2-CB 3.94Å; T388-A405 WeakPolarHBondContact CG2-O 3.3Å; M389-A405 HydrophobicContact CG-CB 3.58Å; M389-A405 HydrophobicContact SD-CB 4.48Å; L400-A405 HydrophobicContact CB-CB 4.21Å; L400-A405 HydrophobicContact CD1-CB 4.27Å; C401-A405 PolarHBondContact O-N 3.45Å; P402-A405 WeakPolarHBondContact O-CB 3.37Å; P402-A405 PolarHBondContact O-N 2.99Å; H403-A405 VanDerWaalsContact C-N 3.28Å; H403-A405 PolarHBondContact O-N 3.46Å; A405-A407 VanDerWaalsContact C-N 3.3Å; A405-A407 PolarHBondContact O-N 2.94Å; A405-V408 PolarHBondContact O-N 2.8Å; A405-W409 WeakPolarHBondContact O-CB 3.4Å; A405-W409 PolarHBondContact O-N 2.83Å
406V98.8Very high95.9Very high0 Ų037 Ų370%017%0.17CC..Hα-helixtrans-57.6-42.7170.9170.40000111.5M295 A322 I325 V380 I385 P402 H403 T404M295-V406 HydrophobicContact CB-CG1 3.75Å; M295-V406 WeakPolarHBondContact CB-O 3.17Å; A322-V406 HydrophobicContact CB-CG2 4.33Å; I325-V406 HydrophobicContact CD1-CB 4.47Å; I325-V406 HydrophobicContact CD1-CG1 4.22Å; I325-V406 HydrophobicContact CD1-CG2 4.24Å; V380-V406 HydrophobicContact CB-CG1 4.43Å; V380-V406 HydrophobicContact CG2-CG1 4.16Å; I385-V406 HydrophobicContact CD1-CG2 3.52Å; I385-V406 HydrophobicContact CG1-CG2 3.66Å; P402-V406 WeakPolarHBondContact O-CG2 3.34Å; P402-V406 PolarHBondContact O-N 3.14Å; H403-V406 WeakPolarHBondContact O-CB 3.46Å; H403-V406 PolarHBondContact O-N 3.01Å; T404-V406 VanDerWaalsContact C-N 3.31Å; T404-V406 PolarHBondContact O-N 3.03Å
407A98.6Very high94.7Very high0 Ų039 Ų390%019%0.186CC..Hα-helixtrans-71-48.4175.900000112.3V268 P270 H403 T404 A405 W409 H410 Y424V268-A407 HydrophobicContact CG1-CB 4.02Å; V268-A407 WeakPolarHBondContact CG1-O 3.37Å; P270-A407 HydrophobicContact CB-CB 4.27Å; P270-A407 HydrophobicContact CG-CB 4.23Å; H403-A407 PolarHBondContact O-N 3.46Å; T404-A407 PolarHBondContact O-N 3.18Å; T404-A407 VanDerWaalsContact O-N 3.11Å; A405-A407 VanDerWaalsContact C-N 3.3Å; A405-A407 PolarHBondContact O-N 2.94Å; A407-W409 PolarHBondContact O-N 2.62Å; A407-H410 VanDerWaalsContact O-CB 3.26Å; A407-H410 WeakPolarHBondContact O-CB 3.42Å; A407-H410 PolarHBondContact O-N 2.66Å; A407-H410 VanDerWaalsContact O-N 3.13Å; A407-Y424 WeakPolarHBondContact O-CD1 3.26Å; A407-Y424 WeakPolarHBondContact O-CE1 3.37Å
408V98.6Very high93.4Very high0 Ų036.2 Ų36.20%020%0.199CC..Hα-helixtrans-67.7-19.1-177.7175.60000112.3L99 T388 L400 T404 A405 H410 H411 Y412 Y424L99-V408 HydrophobicContact CD1-CG1 4.2Å; L99-V408 HydrophobicContact CD1-CG2 4.26Å; L99-V408 HydrophobicContact CD2-CG1 3.95Å; T388-V408 HydrophobicContact CG2-CB 3.98Å; T388-V408 HydrophobicContact CG2-CG1 3.92Å; L400-V408 HydrophobicContact CD1-CB 3.96Å; L400-V408 HydrophobicContact CD1-CG1 3.92Å; L400-V408 HydrophobicContact CD1-CG2 4.23Å; L400-V408 HydrophobicContact CD2-CG2 3.99Å; T404-V408 HydrophobicContact CG2-CG2 4.1Å; T404-V408 WeakPolarHBondContact O-CG2 3.41Å; T404-V408 PolarHBondContact O-N 3.14Å; A405-V408 PolarHBondContact O-N 2.8Å; V408-H410 PolarHBondContact O-N 2.86Å; V408-H410 VanDerWaalsContact O-N 3.14Å; V408-H411 HydrophobicContact CG1-CB 4.29Å; V408-H411 WeakPolarHBondContact O-CA 3.28Å; V408-H411 WeakPolarHBondContact O-CB 3.27Å; V408-H411 PolarHBondContact O-N 3.15Å; V408-Y412 HydrophobicContact CG1-CD2 4.09Å; V408-Y412 HydrophobicContact CG1-CE2 3.73Å; V408-Y412 PolarHBondContact O-N 2.88Å; V408-Y424 HydrophobicContact CG2-CD1 4.12Å; V408-Y424 HydrophobicContact CG2-CG 4.21Å
409W98.5Very high92.2Very high55 Ų5539.1 Ų39.121%0.20823%0.23CC..Hα-helixtrans-53.8-36.2171.3-175.696.1000111.4M295 V380 T388 A405 A407 H411 Y412 N413M295-W409 HydrophobicContact CE-CE3 3.77Å; M295-W409 HydrophobicContact CE-CZ3 4.32Å; V380-W409 HydrophobicContact CB-CG 4.47Å; V380-W409 HydrophobicContact CG1-CB 4.12Å; V380-W409 HydrophobicContact CG1-CD2 4.3Å; V380-W409 HydrophobicContact CG1-CG 3.74Å; V380-W409 HydrophobicContact CG2-CB 3.89Å; V380-W409 HydrophobicContact CG2-CD2 3.88Å; V380-W409 HydrophobicContact CG2-CE3 4.08Å; V380-W409 HydrophobicContact CG2-CG 3.8Å; T388-W409 VanDerWaalsContact OG1-CD1 3.31Å; A405-W409 WeakPolarHBondContact O-CB 3.4Å; A405-W409 PolarHBondContact O-N 2.83Å; A407-W409 PolarHBondContact O-N 2.62Å; W409-H411 VanDerWaalsContact C-N 3.27Å; W409-H411 PolarHBondContact O-N 2.7Å; W409-Y412 PolarHBondContact O-N 2.96Å; W409-N413 HydrophobicContact CD2-CB 3.89Å; W409-N413 HydrophobicContact CE3-CB 3.84Å; W409-N413 HydrophobicContact CH2-CB 3.41Å; W409-N413 VanDerWaalsContact CH2-CB 3.41Å; W409-N413 HydrophobicContact CZ2-CB 3.46Å; W409-N413 VanDerWaalsContact CZ2-CB 3.46Å; W409-N413 HydrophobicContact CZ3-CB 3.61Å; W409-N413 PolarHBondContact NE1-ND2 3.22Å; W409-N413 VanDerWaalsContact NE1-ND2 3.19Å; W409-N413 WeakPolarHBondContact O-CB 3.39Å; W409-N413 PolarHBondContact O-N 2.94Å; W409-N413 VanDerWaalsContact O-N 3.08Å; W409-N413 PolarHBondContact O-ND2 3.39Å
410H97.2Very high91.4Very high13 Ų1341.8 Ų41.86%0.0624%0.239CC..Hα-helixtrans-58.3-36.7173.7175.9-88.4000112.6E266 V268 M295 A407 V408 Y412 R414 H416 Y424E266-H410 IonicContact OE2-CE1 2.91Å; V268-H410 HydrophobicContact CG1-CB 4.07Å; M295-H410 HydrophobicContact CE-CB 4.4Å; M295-H410 HydrophobicContact CG-CB 4.36Å; M295-H410 HydrophobicContact SD-CB 4.11Å; A407-H410 VanDerWaalsContact O-CB 3.26Å; A407-H410 WeakPolarHBondContact O-CB 3.42Å; A407-H410 PolarHBondContact O-N 2.66Å; A407-H410 VanDerWaalsContact O-N 3.13Å; V408-H410 PolarHBondContact O-N 2.86Å; V408-H410 VanDerWaalsContact O-N 3.14Å; H410-Y412 PolarHBondContact O-N 3.42Å; H410-R414 WeakPolarHBondContact O-CB 3.35Å; H410-R414 PolarHBondContact O-N 2.64Å; H410-H416 AromaticContact CE1-CE1 3.7Å; H410-H416 AromaticContact ND1-CE1 3.75Å; H410-H416 PolarHBondContact O-CE1 2.72Å; H410-H416 PolarHBondContact O-NE2 3.37Å; H410-Y424 HydrophobicContact CB-CE1 4.17Å; H410-Y424 AromaticContact ND1-CE1 3.98Å; H410-Y424 PolarHBondContact ND1-OH 2.81Å
411H96.4Very high91.1Very high16 Ų1645.4 Ų45.47%0.07426%0.258CS..Hα-helixtrans-61-45176.2-179.362.6000111.4D97 L99 V408 W409 H416 Y424D97-H411 PolarHBondContact O-CE1 3.13Å; L99-H411 HydrophobicContact CD1-CB 4.18Å; V408-H411 HydrophobicContact CG1-CB 4.29Å; V408-H411 WeakPolarHBondContact O-CA 3.28Å; V408-H411 WeakPolarHBondContact O-CB 3.27Å; V408-H411 PolarHBondContact O-N 3.15Å; W409-H411 VanDerWaalsContact C-N 3.27Å; W409-H411 PolarHBondContact O-N 2.7Å; H411-H416 VanDerWaalsContact CA-NE2 3.34Å; H411-H416 WeakPolarHBondContact CA-NE2 3.41Å; H411-H416 PolarHBondContact O-CD2 3.48Å; H411-H416 VanDerWaalsContact O-CD2 3.31Å; H411-H416 PolarHBondContact O-NE2 3.3Å; H411-Y424 VanDerWaalsContact CA-OH 3.27Å; H411-Y424 WeakPolarHBondContact CA-OH 3.33Å; H411-Y424 HydrophobicContact CB-CE1 3.84Å; H411-Y424 HydrophobicContact CB-CE2 4.23Å; H411-Y424 WeakPolarHBondContact CB-OH 3.39Å; H411-Y424 PolarHBondContact N-OH 2.93Å
412Y96.3Very high91Very high20 Ų2046.4 Ų46.48%0.07826%0.262CS..Hα-helixtrans-85.5-16.4-172.5-69.2-50.3000115.5T388 R391 C392 Q395 N396 V408 W409 H410T388-Y412 HydrophobicContact CG2-CD2 4Å; T388-Y412 HydrophobicContact CG2-CE2 4.22Å; R391-Y412 HydrophobicContact CB-CE2 4.32Å; R391-Y412 HydrophobicContact CG-CD1 4.25Å; R391-Y412 HydrophobicContact CG-CD2 4.41Å; R391-Y412 HydrophobicContact CG-CE1 4.02Å; R391-Y412 HydrophobicContact CG-CE2 4.19Å; R391-Y412 HydrophobicContact CG-CG 4.44Å; R391-Y412 VanDerWaalsContact NE-CD1 3.27Å; R391-Y412 PolarHBondContact NH1-O 2.98Å; C392-Y412 WeakPolarHBondContact CA-OH 3.44Å; C392-Y412 HydrophobicContact CB-CE2 4.22Å; Q395-Y412 VanDerWaalsContact OE1-CE1 3.23Å; Q395-Y412 PolarHBondContact OE1-OH 2.95Å; N396-Y412 PolarHBondContact ND2-OH 3.05Å; V408-Y412 HydrophobicContact CG1-CD2 4.09Å; V408-Y412 HydrophobicContact CG1-CE2 3.73Å; V408-Y412 PolarHBondContact O-N 2.88Å; W409-Y412 PolarHBondContact O-N 2.96Å; H410-Y412 PolarHBondContact O-N 3.42Å
413N94.8Very high91Very high81 Ų8146.4 Ų46.443%0.43326%0.262SS..Hα-helixtrans-121.63.2-170.5-65.9-89.2000114W409W409-N413 HydrophobicContact CD2-CB 3.89Å; W409-N413 HydrophobicContact CE3-CB 3.84Å; W409-N413 HydrophobicContact CH2-CB 3.41Å; W409-N413 VanDerWaalsContact CH2-CB 3.41Å; W409-N413 HydrophobicContact CZ2-CB 3.46Å; W409-N413 VanDerWaalsContact CZ2-CB 3.46Å; W409-N413 HydrophobicContact CZ3-CB 3.61Å; W409-N413 PolarHBondContact NE1-ND2 3.22Å; W409-N413 VanDerWaalsContact NE1-ND2 3.19Å; W409-N413 WeakPolarHBondContact O-CB 3.39Å; W409-N413 PolarHBondContact O-N 2.94Å; W409-N413 VanDerWaalsContact O-N 3.08Å; W409-N413 PolarHBondContact O-ND2 3.39Å
414R88.6Confident91Very high135 Ų13546.4 Ų46.451%0.50926%0.262SS..SBendtrans-120.8145.3173-63-62.9-170.1170.60.8110.2H410 H416H410-R414 WeakPolarHBondContact O-CB 3.35Å; H410-R414 PolarHBondContact O-N 2.64Å; R414-H416 PolarHBondContact O-CD2 2.76Å; R414-H416 PolarHBondContact O-N 3.26Å; R414-H416 PolarHBondContact O-NE2 3.43Å; R414-H416 VanDerWaalsContact O-NE2 3.07Å
415T81.9Confident91Very high150 Ų15046.3 Ų46.392%0.9226%0.261SS*.PPolyproline II helixtrans-75.3125.5172.7-47.90000109.1
416H79.5Confident91Very high54 Ų5446.3 Ų46.325%0.2526%0.261CS..PPolyproline II helixtrans-103.6130.2-176.1-69-48.7000110.5H410 H411 R414 R422H410-H416 AromaticContact CE1-CE1 3.7Å; H410-H416 AromaticContact ND1-CE1 3.75Å; H410-H416 PolarHBondContact O-CE1 2.72Å; H410-H416 PolarHBondContact O-NE2 3.37Å; H411-H416 VanDerWaalsContact CA-NE2 3.34Å; H411-H416 WeakPolarHBondContact CA-NE2 3.41Å; H411-H416 PolarHBondContact O-CD2 3.48Å; H411-H416 VanDerWaalsContact O-CD2 3.31Å; H411-H416 PolarHBondContact O-NE2 3.3Å; R414-H416 PolarHBondContact O-CD2 2.76Å; R414-H416 PolarHBondContact O-N 3.26Å; R414-H416 PolarHBondContact O-NE2 3.43Å; R414-H416 VanDerWaalsContact O-NE2 3.07Å; H416-R422 VanDerWaalsContact CB-CZ 3.45Å; H416-R422 VanDerWaalsContact CB-NH2 3.33Å; H416-R422 VanDerWaalsContact CG-CZ 3.46Å; H416-R422 VanDerWaalsContact ND1-CZ 3.28Å; H416-R422 PolarHBondContact ND1-NE 2.99Å
417S72.8Confident90.9Very high71 Ų7146.7 Ų46.750%0.49726%0.264SS..PPolyproline II helixtrans-70.1135.7162.31740000109.2A419 R422S417-A419 PolarHBondContact O-N 3.18Å; S417-A419 PolarHBondContact OG-N 2.85Å; S417-R422 PolarHBondContact O-NH2 2.88Å
418A70.1Confident90.9Very high109 Ų10946.8 Ų46.890%0.90126%0.264SS*.THydrogen-bonded Turntrans-65-17.5174.300000112.9R420A418-R420 PolarHBondContact O-N 2.78Å
419A73.1Confident90.9Very high94 Ų9447.3 Ų47.378%0.77727%0.268SS*.THydrogen-bonded Turntrans-80.5-9.8-175.300000114.7S417S417-A419 PolarHBondContact O-N 3.18Å; S417-A419 PolarHBondContact OG-N 2.85Å
420R82.5Confident90.9Very high75 Ų7545.2 Ų45.228%0.28326%0.261SS..SBendtrans-118124.7-175.5-167-175.4-74.4131.2-4.7111.9E264 E266 A418 R422E264-R420 IonicContact OE2-CZ 3.98Å; E264-R420 IonicContact OE2-NE 2.68Å; E264-R420 PolarHBondContact OE2-NE 3.46Å; E264-R420 IonicContact OE2-NH2 3.01Å; E264-R420 PolarHBondContact OE2-NH2 3.38Å; E266-R420 HydrophobicContact CB-CG 4.31Å; E266-R420 IonicContact OE1-NH1 3.86Å; A418-R420 PolarHBondContact O-N 2.78Å; R420-R422 PolarHBondContact O-NH1 3.18Å
421N93.2Very high90.8Very high78 Ų7844.6 Ų44.642%0.41726%0.259SS..EExtended strand (participates in β ladder)trans-72.4150.4171.4-69.5-33.9000111.3L242 S243 L265 E266L242-N421 WeakPolarHBondContact O-CB 3.46Å; L242-N421 PolarHBondContact O-ND2 3.28Å; S243-N421 VanDerWaalsContact C-ND2 3.35Å; S243-N421 PolarHBondContact O-ND2 3.16Å; L265-N421 HydrophobicContact CD1-CB 4.04Å; E266-N421 PolarHBondContact N-O 3.07Å; E266-N421 VanDerWaalsContact N-O 3.07Å
422R95.3Very high90.8Very high22 Ų2244 Ų448%0.08326%0.256CS..EExtended strand (participates in β ladder)trans-134.7144.4-176.6-70.3174.5-157.78610.4112.3S100 E266 H416 S417 R420 Y424S100-R422 WeakPolarHBondContact CB-O 3.41Å; E266-R422 HydrophobicContact CB-CG 3.99Å; E266-R422 HydrophobicContact CG-CG 4.27Å; E266-R422 CarbonylContact O-C 3.4Å; E266-R422 VanDerWaalsContact O-CA 3.23Å; E266-R422 WeakPolarHBondContact O-CA 3.22Å; E266-R422 WeakPolarHBondContact OE2-CD 3.38Å; E266-R422 WeakPolarHBondContact OE2-CG 3.37Å; E266-R422 IonicContact OE2-NE 3.51Å; E266-R422 PolarHBondContact OE2-NE 3.11Å; H416-R422 VanDerWaalsContact CB-CZ 3.45Å; H416-R422 VanDerWaalsContact CB-NH2 3.33Å; H416-R422 VanDerWaalsContact CG-CZ 3.46Å; H416-R422 VanDerWaalsContact ND1-CZ 3.28Å; H416-R422 PolarHBondContact ND1-NE 2.99Å; S417-R422 PolarHBondContact O-NH2 2.88Å; R420-R422 PolarHBondContact O-NH1 3.18Å; R422-Y424 HydrophobicContact CB-CD2 4.44Å; R422-Y424 HydrophobicContact CB-CE2 3.75Å; R422-Y424 WeakPolarHBondContact CD-OH 3.3Å
423C98Very high90.9Very high0 Ų043.3 Ų43.30%025%0.253CS..EExtended strand (participates in β ladder)trans-123.8123.5172.71770000109.9L242 L265 E266 V267 V268L242-C423 HydrophobicContact CD1-CB 3.65Å; L265-C423 HydrophobicContact CD1-CB 4.27Å; L265-C423 HydrophobicContact CD2-CB 4.17Å; L265-C423 HydrophobicContact CG-CB 4.45Å; E266-C423 PolarHBondContact O-N 3.03Å; V267-C423 WeakPolarHBondContact CA-O 3.43Å; V267-C423 HydrophobicContact CG1-CB 4.45Å; V267-C423 HydrophobicContact CG2-CB 4.37Å; V268-C423 PolarHBondContact N-O 3.06Å
424Y98.6Very high90.9Very high0 Ų042 Ų420%025%0.245CC..EExtended strand (participates in β ladder)trans-103.8117.7175.2-65.5-97000109.2L99 S100 V101 L102 V268 A407 V408 H410 H411 R422 A426L99-Y424 HydrophobicContact CD1-CD1 4.46Å; L99-Y424 HydrophobicContact CD1-CD2 3.33Å; L99-Y424 HydrophobicContact CD1-CE2 3.62Å; L99-Y424 HydrophobicContact CD1-CG 3.81Å; S100-Y424 PolarHBondContact O-N 3.15Å; V101-Y424 CarbonylContact C-O 3.52Å; V101-Y424 WeakPolarHBondContact CA-O 3.48Å; L102-Y424 PolarHBondContact N-O 2.84Å; V268-Y424 HydrophobicContact CB-CD1 3.72Å; V268-Y424 HydrophobicContact CB-CE1 3.93Å; V268-Y424 HydrophobicContact CB-CG 4.4Å; V268-Y424 HydrophobicContact CG1-CD1 4.09Å; V268-Y424 HydrophobicContact CG1-CE1 4.18Å; V268-Y424 HydrophobicContact CG2-CD1 3.92Å; V268-Y424 HydrophobicContact CG2-CE1 3.64Å; A407-Y424 WeakPolarHBondContact O-CD1 3.26Å; A407-Y424 WeakPolarHBondContact O-CE1 3.37Å; V408-Y424 HydrophobicContact CG2-CD1 4.12Å; V408-Y424 HydrophobicContact CG2-CG 4.21Å; H410-Y424 HydrophobicContact CB-CE1 4.17Å; H410-Y424 AromaticContact ND1-CE1 3.98Å; H410-Y424 PolarHBondContact ND1-OH 2.81Å; H411-Y424 VanDerWaalsContact CA-OH 3.27Å; H411-Y424 WeakPolarHBondContact CA-OH 3.33Å; H411-Y424 HydrophobicContact CB-CE1 3.84Å; H411-Y424 HydrophobicContact CB-CE2 4.23Å; H411-Y424 WeakPolarHBondContact CB-OH 3.39Å; H411-Y424 PolarHBondContact N-OH 2.93Å; R422-Y424 HydrophobicContact CB-CD2 4.44Å; R422-Y424 HydrophobicContact CB-CE2 3.75Å; R422-Y424 WeakPolarHBondContact CD-OH 3.3Å; Y424-A426 PolarHBondContact O-N 2.85Å
425V98.8Very high91.2Very high0 Ų038.4 Ų38.40%024%0.244CC..EExtended strand (participates in β ladder)trans-78.9118-175.6-177.40000110.1L104 F235 V267 V268 V269 P270 T427L104-V425 HydrophobicContact CD1-CG1 3.6Å; L104-V425 HydrophobicContact CG-CG1 4.4Å; F235-V425 HydrophobicContact CE1-CG2 4.43Å; V267-V425 HydrophobicContact CG1-CG2 3.92Å; V268-V425 PolarHBondContact O-N 2.92Å; V269-V425 HydrophobicContact CG2-CG2 4.09Å; P270-V425 WeakPolarHBondContact CD-O 3.35Å; V425-T427 HydrophobicContact CG1-CG2 3.99Å
426A98.8Very high91.9Very high0 Ų031.5 Ų31.50%020%0.202CC..EExtended strand (participates in β ladder)trans-96.3110.817400000110.9V101 L102 L104 F105 T404 Y424V101-A426 HydrophobicContact CG1-CB 3.52Å; L102-A426 WeakPolarHBondContact O-CB 3.3Å; L102-A426 PolarHBondContact O-N 3.48Å; L104-A426 PolarHBondContact N-O 3.24Å; L104-A426 VanDerWaalsContact N-O 3.16Å; F105-A426 HydrophobicContact CD1-CB 4.05Å; F105-A426 HydrophobicContact CE1-CB 3.63Å; T404-A426 HydrophobicContact CG2-CB 3.43Å; T404-A426 VanDerWaalsContact CG2-CB 3.43Å; T404-A426 VanDerWaalsContact OG1-CA 3.28Å; T404-A426 WeakPolarHBondContact OG1-CA 3.48Å; T404-A426 WeakPolarHBondContact OG1-CB 3.21Å; Y424-A426 PolarHBondContact O-N 2.85Å
427T98.2Very high92.8Very high8 Ų829 Ų295%0.04919%0.19CC..  trans-92.8-13.7-166.5490000114.5A111 F112 P270 H403 V425A111-T427 CarbonylContact C-O 3.58Å; A111-T427 WeakPolarHBondContact CA-O 3.41Å; F112-T427 HydrophobicContact CD1-CG2 3.86Å; F112-T427 WeakPolarHBondContact CD1-O 3.48Å; F112-T427 HydrophobicContact CE1-CG2 4.15Å; F112-T427 HydrophobicContact CG-CG2 4.17Å; F112-T427 PolarHBondContact N-O 3.47Å; P270-T427 HydrophobicContact CG-CG2 3.66Å; H403-T427 WeakPolarHBondContact CB-OG1 3.49Å; V425-T427 HydrophobicContact CG1-CG2 3.99Å
428A98.2Very high93.9Very high1 Ų131.4 Ų31.41%0.00819%0.194CC..BIsolated β-bridgetrans-156.8154.8179.800000111.8F105 L110 A111 C401 K432 F433F105-A428 VanDerWaalsContact CD1-C 3.4Å; F105-A428 WeakPolarHBondContact CD1-O 3.35Å; F105-A428 VanDerWaalsContact CG-C 3.48Å; L110-A428 WeakPolarHBondContact O-CA 3.23Å; A111-A428 HydrophobicContact CB-CB 4.49Å; C401-A428 WeakPolarHBondContact CB-O 3.25Å; C401-A428 PolarHBondContact SG-O 2.81Å; A428-K432 HydrophobicContact CB-CD 4.37Å; A428-F433 HydrophobicContact CB-CE2 3.67Å; A428-F433 HydrophobicContact CB-CZ 4.35Å
429S98.1Very high95.3Very high12 Ų1232.9 Ų32.98%0.08418%0.18CC..  trans-71.1143.6172.6178.90000111.2L110 A431 K432L110-S429 PolarHBondContact O-N 3.46Å; S429-A431 PolarHBondContact O-N 3.05Å; S429-A431 VanDerWaalsContact O-N 3.16Å; S429-A431 WeakPolarHBondContact OG-CB 3.4Å; S429-A431 PolarHBondContact OG-N 3.45Å; S429-K432 PolarHBondContact O-N 3.35Å
430P97.7Very high96.5Very high10 Ų1028.5 Ų28.57%0.06514%0.144CC..G310 helixtrans-58-23.8170.924.7-34.6000113.1L399 C401 K432 F433 V437 F444L399-P430 HydrophobicContact CB-CG 4.33Å; L399-P430 HydrophobicContact CD2-CB 3.64Å; L399-P430 HydrophobicContact CD2-CG 3.86Å; L399-P430 HydrophobicContact CG-CB 3.78Å; L399-P430 HydrophobicContact CG-CG 4.01Å; C401-P430 HydrophobicContact CB-CB 4.41Å; P430-K432 PolarHBondContact O-N 2.92Å; P430-F433 PolarHBondContact O-N 3.29Å; P430-V437 HydrophobicContact CB-CG2 4.32Å; P430-F444 HydrophobicContact CG-CE2 4.32Å; P430-F444 HydrophobicContact CG-CZ 4.23Å
431A96.9Very high97.2Very high1 Ų128.2 Ų28.21%0.00816%0.164CC..G310 helixtrans-55-24.7177.100000114.4L110 S429 F433 F444 P447 V450L110-A431 HydrophobicContact CD1-CB 4.01Å; S429-A431 PolarHBondContact O-N 3.05Å; S429-A431 VanDerWaalsContact O-N 3.16Å; S429-A431 WeakPolarHBondContact OG-CB 3.4Å; S429-A431 PolarHBondContact OG-N 3.45Å; A431-F433 VanDerWaalsContact C-N 3.33Å; A431-F444 VanDerWaalsContact CA-CE1 3.46Å; A431-F444 HydrophobicContact CB-CE1 3.6Å; A431-F444 HydrophobicContact CB-CZ 4.27Å; A431-P447 HydrophobicContact CB-CG 4.31Å; A431-V450 HydrophobicContact CB-CG2 4.21Å
432K96.1Very high97.4Very high3 Ų325.3 Ų25.31%0.01315%0.149CC..G310 helixtrans-81.4-13179.1-55.2-174.176165.60113.2T109 L110 D144 T171 V173 A428 S429 P430T109-K432 WeakPolarHBondContact O-CD 3.35Å; T109-K432 WeakPolarHBondContact O-CE 3.49Å; T109-K432 PolarHBondContact O-NZ 2.9Å; L110-K432 HydrophobicContact CB-CD 3.98Å; L110-K432 HydrophobicContact CB-CG 4.06Å; L110-K432 VanDerWaalsContact O-CD 3.32Å; L110-K432 WeakPolarHBondContact O-CD 3.36Å; D144-K432 WeakPolarHBondContact OD1-CE 3.29Å; D144-K432 IonicContact OD1-NZ 2.89Å; D144-K432 PolarHBondContact OD1-NZ 3.35Å; T171-K432 WeakPolarHBondContact CB-O 3.29Å; T171-K432 WeakPolarHBondContact CG2-O 3.35Å; T171-K432 PolarHBondContact OG1-O 3.32Å; V173-K432 HydrophobicContact CG1-CB 4.33Å; V173-K432 HydrophobicContact CG1-CG 4.15Å; A428-K432 HydrophobicContact CB-CD 4.37Å; S429-K432 PolarHBondContact O-N 3.35Å; P430-K432 PolarHBondContact O-N 2.92Å
433F96.9Very high97.3Very high5 Ų530 Ų302%0.02218%0.179CC..  trans-129.745.5-166-56.8-78.9000112.6T171 P323 C401 P402 H403 A428 P430 A431 A435 A436 V437T171-F433 HydrophobicContact CG2-CD1 3.57Å; T171-F433 HydrophobicContact CG2-CE1 3.79Å; P323-F433 HydrophobicContact CG-CE1 4.08Å; C401-F433 HydrophobicContact CB-CD2 3.86Å; C401-F433 HydrophobicContact CB-CE2 4.28Å; P402-F433 HydrophobicContact CG-CB 3.82Å; P402-F433 HydrophobicContact CG-CD1 3.92Å; P402-F433 HydrophobicContact CG-CD2 4.19Å; P402-F433 HydrophobicContact CG-CG 3.69Å; H403-F433 AromaticContact CE1-CE1 3.37Å; H403-F433 WeakPolarHBondContact CE1-CE1 3.34Å; H403-F433 AromaticContact CE1-CE2 3.91Å; H403-F433 AromaticContact CE1-CZ 3.22Å; H403-F433 WeakPolarHBondContact CE1-CZ 3.43Å; H403-F433 AromaticContact ND1-CE1 3.95Å; H403-F433 AromaticContact ND1-CE2 3.68Å; H403-F433 AromaticContact ND1-CZ 3.47Å; H403-F433 WeakPolarHBondContact ND1-CZ 3.28Å; A428-F433 HydrophobicContact CB-CE2 3.67Å; A428-F433 HydrophobicContact CB-CZ 4.35Å; P430-F433 PolarHBondContact O-N 3.29Å; A431-F433 VanDerWaalsContact C-N 3.33Å; F433-A435 VanDerWaalsContact C-N 3.27Å; F433-A435 PolarHBondContact O-N 2.91Å; F433-A436 HydrophobicContact CB-CB 4.22Å; F433-A436 WeakPolarHBondContact O-CB 2.84Å; F433-A436 PolarHBondContact O-N 2.99Å; F433-V437 PolarHBondContact O-N 2.89Å; F433-V437 VanDerWaalsContact O-N 3.13Å
434Q95.3Very high97Very high54 Ų5432.5 Ų32.525%0.25219%0.191SC..Hα-helixtrans-52-43.4-176.6-16766.610.100113A436 V437 E438 F444Q434-A436 PolarHBondContact O-N 3.24Å; Q434-V437 WeakPolarHBondContact O-CB 3.34Å; Q434-V437 PolarHBondContact O-N 3.07Å; Q434-E438 HydrophobicContact CG-CG 4.35Å; Q434-E438 WeakPolarHBondContact CG-OE1 3.44Å; Q434-E438 WeakPolarHBondContact O-CG 3.33Å; Q434-E438 PolarHBondContact O-N 3.45Å; Q434-F444 PolarHBondContact NE2-O 3.01Å; Q434-F444 PolarHBondContact OE1-O 3.45Å
435A95Very high96.7Very high60 Ų6039.6 Ų39.650%0.49623%0.229SC..Hα-helixtrans-59.5-32.4177.600000113.6F433 K439F433-A435 VanDerWaalsContact C-N 3.27Å; F433-A435 PolarHBondContact O-N 2.91Å; A435-K439 WeakPolarHBondContact O-CB 3.36Å; A435-K439 WeakPolarHBondContact O-CG 3.37Å; A435-K439 PolarHBondContact O-N 3.21Å; A435-K439 VanDerWaalsContact O-N 3.12Å
436A97.3Very high96.4Very high5 Ų540.9 Ų40.94%0.04124%0.237CC..Hα-helixtrans-76.3-37.1175.200000111.6L321 P402 F433 Q434 K439 A440L321-A436 HydrophobicContact CB-CB 4.49Å; L321-A436 HydrophobicContact CD2-CB 4.34Å; P402-A436 HydrophobicContact CB-CB 4.24Å; P402-A436 HydrophobicContact CG-CB 3.93Å; F433-A436 HydrophobicContact CB-CB 4.22Å; F433-A436 WeakPolarHBondContact O-CB 2.84Å; F433-A436 PolarHBondContact O-N 2.99Å; Q434-A436 PolarHBondContact O-N 3.24Å; A436-K439 PolarHBondContact O-N 3.07Å; A436-A440 WeakPolarHBondContact O-CB 3.42Å; A436-A440 PolarHBondContact O-N 3.31Å
437V97.7Very high96.1Very high0 Ų043.7 Ų43.70%026%0.255CS..Hα-helixtrans-61.3-48.2174.3176.50000110.5M389 L399 P430 F433 Q434 A440 G441 L442 F444M389-V437 HydrophobicContact CE-CG2 4.16Å; L399-V437 HydrophobicContact CD1-CG1 4.38Å; L399-V437 HydrophobicContact CD2-CG1 4.23Å; L399-V437 HydrophobicContact CD2-CG2 4.25Å; P430-V437 HydrophobicContact CB-CG2 4.32Å; F433-V437 PolarHBondContact O-N 2.89Å; F433-V437 VanDerWaalsContact O-N 3.13Å; Q434-V437 WeakPolarHBondContact O-CB 3.34Å; Q434-V437 PolarHBondContact O-N 3.07Å; V437-A440 WeakPolarHBondContact O-CB 3.46Å; V437-A440 PolarHBondContact O-N 2.81Å; V437-A440 VanDerWaalsContact O-N 3.12Å; V437-G441 PolarHBondContact O-N 3.28Å; V437-L442 HydrophobicContact CG1-CB 3.87Å; V437-L442 PolarHBondContact O-N 3.32Å; V437-L442 VanDerWaalsContact O-N 3.1Å; V437-F444 HydrophobicContact CG1-CB 3.86Å
438E97.3Very high95.9Very high123 Ų12351.3 Ų51.358%0.57529%0.29SS*.Hα-helixtrans-62.8-44.5177.2-71170.3-178.100112Q434 A440 G441Q434-E438 HydrophobicContact CG-CG 4.35Å; Q434-E438 WeakPolarHBondContact CG-OE1 3.44Å; Q434-E438 WeakPolarHBondContact O-CG 3.33Å; Q434-E438 PolarHBondContact O-N 3.45Å; E438-A440 PolarHBondContact O-N 2.85Å; E438-G441 WeakPolarHBondContact O-CA 3.41Å; E438-G441 PolarHBondContact O-N 3.03Å
439K97.9Very high95.7Very high139 Ų13955 Ų5560%0.60432%0.321SS*.Hα-helixtrans-62-26.7174.6-78.2175.4-179.6-177.20113.1L321 L386 A435 A436 G441L321-K439 HydrophobicContact CD2-CD 3.71Å; L386-K439 HydrophobicContact CD1-CB 4.48Å; L386-K439 HydrophobicContact CD2-CB 3.94Å; A435-K439 WeakPolarHBondContact O-CB 3.36Å; A435-K439 WeakPolarHBondContact O-CG 3.37Å; A435-K439 PolarHBondContact O-N 3.21Å; A435-K439 VanDerWaalsContact O-N 3.12Å; A436-K439 PolarHBondContact O-N 3.07Å; K439-G441 PolarHBondContact O-N 2.89Å
440A97.9Very high95.5Very high3 Ų354.8 Ų54.83%0.02532%0.319CS..THydrogen-bonded Turntrans-77.9-1.6172.800000112.5L386 M389 R390 A436 V437 E438 L442L386-A440 HydrophobicContact CD2-CB 3.87Å; M389-A440 HydrophobicContact CB-CB 4.15Å; M389-A440 HydrophobicContact CE-CB 4.02Å; R390-A440 WeakPolarHBondContact CD-O 3.22Å; R390-A440 HydrophobicContact CG-CB 4.32Å; R390-A440 WeakPolarHBondContact CG-O 3.21Å; A436-A440 WeakPolarHBondContact O-CB 3.42Å; A436-A440 PolarHBondContact O-N 3.31Å; V437-A440 WeakPolarHBondContact O-CB 3.46Å; V437-A440 PolarHBondContact O-N 2.81Å; V437-A440 VanDerWaalsContact O-N 3.12Å; E438-A440 PolarHBondContact O-N 2.85Å; A440-L442 HydrophobicContact CB-CD1 4.06Å; A440-L442 HydrophobicContact CB-CG 4.02Å; A440-L442 PolarHBondContact O-N 3.43Å
441G97.6Very high95.4Very high68 Ų6858.5 Ų58.570%0.70134%0.338SS*.THydrogen-bonded Turntrans69.423.6-174.600000112.8V437 E438 K439V437-G441 PolarHBondContact O-N 3.28Å; E438-G441 WeakPolarHBondContact O-CA 3.41Å; E438-G441 PolarHBondContact O-N 3.03Å; K439-G441 PolarHBondContact O-N 2.89Å
442L97.3Very high95.3Very high18 Ų1860.4 Ų60.49%0.09435%0.353CS..  trans-106.8157.5-179.6-59.2179000110.1M389 W393 L399 V437 A440M389-L442 HydrophobicContact CB-CD1 4.29Å; W393-L442 HydrophobicContact CB-CD1 3.99Å; W393-L442 HydrophobicContact CB-CD2 3.97Å; W393-L442 HydrophobicContact CG-CD1 4.37Å; W393-L442 HydrophobicContact CG-CD2 3.7Å; L399-L442 HydrophobicContact CD1-CB 4.31Å; L399-L442 HydrophobicContact CD1-CD1 3.51Å; V437-L442 HydrophobicContact CG1-CB 3.87Å; V437-L442 PolarHBondContact O-N 3.32Å; V437-L442 VanDerWaalsContact O-N 3.1Å; A440-L442 HydrophobicContact CB-CD1 4.06Å; A440-L442 HydrophobicContact CB-CG 4.02Å; A440-L442 PolarHBondContact O-N 3.43Å
443T93.1Very high95.2Very high119 Ų11960.8 Ų60.873%0.7336%0.355SS*.  trans-116.5136175.6530000109.6
444F92.4Very high95.1Very high54 Ų5465.3 Ų65.324%0.23738%0.38CS..  trans-145.2128.5175.5-178-107.1000108.7L399 P430 A431 Q434 V437 P446L399-F444 HydrophobicContact CD2-CB 3.45Å; L399-F444 VanDerWaalsContact CD2-CB 3.45Å; L399-F444 HydrophobicContact CD2-CD1 4.37Å; L399-F444 HydrophobicContact CD2-CD2 3.29Å; L399-F444 HydrophobicContact CD2-CE2 4.11Å; L399-F444 HydrophobicContact CD2-CG 3.44Å; L399-F444 VanDerWaalsContact CD2-CG 3.44Å; P430-F444 HydrophobicContact CG-CE2 4.32Å; P430-F444 HydrophobicContact CG-CZ 4.23Å; A431-F444 VanDerWaalsContact CA-CE1 3.46Å; A431-F444 HydrophobicContact CB-CE1 3.6Å; A431-F444 HydrophobicContact CB-CZ 4.27Å; Q434-F444 PolarHBondContact NE2-O 3.01Å; Q434-F444 PolarHBondContact OE1-O 3.45Å; V437-F444 HydrophobicContact CG1-CB 3.86Å; F444-P446 VanDerWaalsContact O-CD 3.3Å; F444-P446 WeakPolarHBondContact O-CD 3.47Å
445D92.9Very high95Very high149 Ų14971 Ų7180%0.79741%0.406SS*.  trans-87.1111.2172.9-62.3-38.7000107.8
446P91.8Very high95.1Very high27 Ų2771.8 Ų71.818%0.17540%0.402CS..  trans-62148.1178.3-20.634.1000110.8F444 V450 L451F444-P446 VanDerWaalsContact O-CD 3.3Å; F444-P446 WeakPolarHBondContact O-CD 3.47Å; P446-V450 HydrophobicContact CB-CB 4.14Å; P446-V450 HydrophobicContact CB-CG1 4.1Å; P446-L451 HydrophobicContact CB-CD2 4.03Å; P446-L451 HydrophobicContact CB-CG 4.27Å; P446-L451 HydrophobicContact CG-CD2 4.07Å
447P93.6Very high95.1Very high58 Ų5875.6 Ų75.638%0.37743%0.426SS..  trans-54.6147.8172.3-23.333.2000111.5A431 A449 V450 L451A431-P447 HydrophobicContact CB-CG 4.31Å; P447-A449 PolarHBondContact O-N 3.25Å; P447-A449 VanDerWaalsContact O-N 3.13Å; P447-V450 HydrophobicContact CB-CG2 4.41Å; P447-V450 HydrophobicContact CG-CG2 4.37Å; P447-V450 WeakPolarHBondContact O-CA 3.32Å; P447-V450 WeakPolarHBondContact O-CB 3.13Å; P447-V450 PolarHBondContact O-N 2.91Å; P447-L451 PolarHBondContact O-N 3.08Å
448E94.1Very high95Very high169 Ų16979.2 Ų79.279%0.7945%0.448SS*.Hα-helixtrans-52.1-39.6179.8-174.9178.2-17500112.5V450 L451 A452E448-V450 PolarHBondContact O-N 3.48Å; E448-L451 PolarHBondContact O-N 3.17Å; E448-L451 VanDerWaalsContact O-N 3.13Å; E448-A452 WeakPolarHBondContact O-CB 3.44Å; E448-A452 PolarHBondContact O-N 3.34Å
449A92.8Very high95Very high78 Ų7875.4 Ų75.465%0.64543%0.429SS*.Hα-helixtrans-59.3-32.6176.200000113.5P447P447-A449 PolarHBondContact O-N 3.25Å; P447-A449 VanDerWaalsContact O-N 3.13Å
450V94.9Very high95Very high8 Ų873.1 Ų73.15%0.04842%0.417CS..Hα-helixtrans-75.1-41.8175.7177.70000110.5L110 V173 A431 P446 P447 E448 A452 L453L110-V450 HydrophobicContact CD1-CG2 3.43Å; L110-V450 VanDerWaalsContact CD1-CG2 3.43Å; V173-V450 HydrophobicContact CB-CG1 4.48Å; V173-V450 HydrophobicContact CG1-CG1 4.02Å; V173-V450 HydrophobicContact CG2-CG1 3.58Å; A431-V450 HydrophobicContact CB-CG2 4.21Å; P446-V450 HydrophobicContact CB-CB 4.14Å; P446-V450 HydrophobicContact CB-CG1 4.1Å; P447-V450 HydrophobicContact CB-CG2 4.41Å; P447-V450 HydrophobicContact CG-CG2 4.37Å; P447-V450 WeakPolarHBondContact O-CA 3.32Å; P447-V450 WeakPolarHBondContact O-CB 3.13Å; P447-V450 PolarHBondContact O-N 2.91Å; E448-V450 PolarHBondContact O-N 3.48Å; V450-A452 VanDerWaalsContact C-N 3.3Å; V450-A452 PolarHBondContact O-N 3.45Å; V450-L453 WeakPolarHBondContact O-CB 3.41Å; V450-L453 PolarHBondContact O-N 3.32Å
451L94.4Very high95Very high88 Ų8876.2 Ų76.246%0.46143%0.431SS..Hα-helixtrans-64.1-37.6176.7-61.3175.7000111.6P446 P447 E448 L453 D454P446-L451 HydrophobicContact CB-CD2 4.03Å; P446-L451 HydrophobicContact CB-CG 4.27Å; P446-L451 HydrophobicContact CG-CD2 4.07Å; P447-L451 PolarHBondContact O-N 3.08Å; E448-L451 PolarHBondContact O-N 3.17Å; E448-L451 VanDerWaalsContact O-N 3.13Å; L451-L453 PolarHBondContact O-N 3.11Å; L451-D454 PolarHBondContact O-N 3.17Å; L451-D454 VanDerWaalsContact O-N 3.17Å
452A95.3Very high95Very high41 Ų4176 Ų7634%0.33941%0.414SS..Hα-helixtrans-61.7-27.3178.700000113E448 V450 D454 Q455E448-A452 WeakPolarHBondContact O-CB 3.44Å; E448-A452 PolarHBondContact O-N 3.34Å; V450-A452 VanDerWaalsContact C-N 3.3Å; V450-A452 PolarHBondContact O-N 3.45Å; A452-D454 PolarHBondContact O-N 2.88Å; A452-D454 VanDerWaalsContact O-N 3.15Å; A452-Q455 PolarHBondContact O-N 3.16Å; A452-Q455 VanDerWaalsContact O-N 3.09Å
453L94.9Very high95Very high10 Ų1075.2 Ų75.25%0.05241%0.409CS..G310 helixtrans-56.3-31.8176.7-68.3168.5000112.1V173 K176 V450 L451 Q455 L456V173-L453 HydrophobicContact CG1-CD1 4Å; K176-L453 HydrophobicContact CB-CB 3.97Å; K176-L453 HydrophobicContact CB-CD1 4.38Å; K176-L453 HydrophobicContact CB-CD2 4.39Å; K176-L453 HydrophobicContact CB-CG 4.48Å; K176-L453 HydrophobicContact CD-CB 4.05Å; V450-L453 WeakPolarHBondContact O-CB 3.41Å; V450-L453 PolarHBondContact O-N 3.32Å; L451-L453 PolarHBondContact O-N 3.11Å; L453-Q455 PolarHBondContact O-N 3.49Å; L453-L456 HydrophobicContact CD2-CD1 4.06Å; L453-L456 PolarHBondContact O-N 2.88Å
454D92.8Very high95.2Very high101 Ų10175.3 Ų75.354%0.5440%0.402SS..G310 helixtrans-67.3-19.7-177.4-70.1-12.5000113.8K176 L451 A452K176-D454 IonicContact NZ-OD1 3.42Å; K176-D454 PolarHBondContact NZ-OD1 3.19Å; L451-D454 PolarHBondContact O-N 3.17Å; L451-D454 VanDerWaalsContact O-N 3.17Å; A452-D454 PolarHBondContact O-N 2.88Å; A452-D454 VanDerWaalsContact O-N 3.15Å
455Q95.1Very high95.3Very high173 Ų17377.9 Ų77.981%0.80841%0.41SS*.G310 helixtrans-97.8-9.2-178.8-57.1179.46.700112.5A452 L453A452-Q455 PolarHBondContact O-N 3.16Å; A452-Q455 VanDerWaalsContact O-N 3.09Å; L453-Q455 PolarHBondContact O-N 3.49Å
456L95.8Very high95.4Very high76 Ų7672.9 Ų72.940%0.39839%0.387SS..SBendtrans-79.6140.7-177.3-62.2-179.5000111.4L453L453-L456 HydrophobicContact CD2-CD1 4.06Å; L453-L456 PolarHBondContact O-N 2.88Å
457P96.6Very high95.5Very high85 Ų8576.5 Ų76.555%0.55242%0.418SS*.  trans-63.2147.4170.928.3-35.4000110.6S180 L182S180-P457 WeakPolarHBondContact CA-O 3.37Å; L182-P457 HydrophobicContact CD1-CB 4.06Å; L182-P457 HydrophobicContact CD1-CG 3.6Å; L182-P457 HydrophobicContact CG-CG 4.49Å
458T96.9Very high95.5Very high76 Ų7679.1 Ų79.147%0.46643%0.429SS..  trans-120.1144.7-178.259.10000111.9T179T179-T458 CarbonylContact O-C 3.34Å; T179-T458 VanDerWaalsContact O-CA 3.28Å; T179-T458 WeakPolarHBondContact O-CA 3.23Å; T179-T458 WeakPolarHBondContact OG1-CG2 3.2Å
459R97.1Very high95.6Very high43 Ų4372.8 Ų72.816%0.16240%0.398CS..  trans-136.1128.4173.2-176.6-177.566.9-173.41.4111.4T179 L182 E183 V186 Y495 N498T179-R459 PolarHBondContact O-N 3.11Å; L182-R459 HydrophobicContact CD2-CB 3.59Å; L182-R459 PolarHBondContact O-NH2 3.33Å; E183-R459 PolarHBondContact O-NH2 2.73Å; V186-R459 PolarHBondContact O-NH2 2.83Å; R459-Y495 VanDerWaalsContact CZ-CD2 3.44Å; R459-Y495 VanDerWaalsContact CZ-CZ 3.43Å; R459-Y495 VanDerWaalsContact NH1-CB 3.28Å; R459-N498 PolarHBondContact NH1-ND2 2.72Å; R459-N498 PolarHBondContact NH1-OD1 3.11Å
460Y97.6Very high95.7Very high92 Ų9269.5 Ų69.536%0.36137%0.371SS..  trans-158.8165.1169.362.1-88000110.9T179 V188 A190 N462T179-Y460 HydrophobicContact CG2-CD1 3.74Å; T179-Y460 HydrophobicContact CG2-CG 4.25Å; V188-Y460 CarbonylContact O-C 3.55Å; V188-Y460 WeakPolarHBondContact O-CA 3.38Å; V188-Y460 WeakPolarHBondContact O-CB 3.25Å; A190-Y460 HydrophobicContact CB-CD2 3.51Å; A190-Y460 HydrophobicContact CB-CE2 3.76Å; A190-Y460 HydrophobicContact CB-CG 4.37Å; Y460-N462 WeakPolarHBondContact CE2-OD1 3.2Å
461Q97.9Very high95.8Very high68 Ų6874.5 Ų74.532%0.31839%0.392SS..EExtended strand (participates in β ladder)trans-110.1150.9172.8-64.8-179.971.300110.2V188 F189 A190 W480V188-Q461 PolarHBondContact O-N 3.44Å; F189-Q461 CarbonylContact C-O 3.49Å; F189-Q461 VanDerWaalsContact CA-O 3.24Å; F189-Q461 WeakPolarHBondContact CA-O 3.48Å; F189-Q461 HydrophobicContact CD1-CB 3.72Å; F189-Q461 HydrophobicContact CE1-CB 3.83Å; F189-Q461 HydrophobicContact CE1-CG 4.38Å; A190-Q461 PolarHBondContact N-O 2.78Å; Q461-W480 VanDerWaalsContact NE2-CH2 3.27Å; Q461-W480 VanDerWaalsContact NE2-CZ3 3.27Å
462N97.8Very high96Very high63 Ų6372.8 Ų72.834%0.33738%0.383SS..EExtended strand (participates in β ladder)trans-91.8137.8178.4-67.7-51000111.2R167 A190 Y460 E464R167-N462 PolarHBondContact NH1-OD1 3.47Å; R167-N462 VanDerWaalsContact NH1-OD1 3.17Å; A190-N462 CarbonylContact O-C 3.6Å; A190-N462 WeakPolarHBondContact O-CA 3.31Å; Y460-N462 WeakPolarHBondContact CE2-OD1 3.2Å; N462-E464 HydrophobicContact CB-CG 4.09Å
463L97.8Very high96.1Very high1 Ų170.9 Ų70.91%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-109.389.1164.3-62.7177.9000107.8V164 F189 A190 A191 D192 W473 Q476 L477V164-L463 HydrophobicContact CG1-CD1 3.8Å; V164-L463 HydrophobicContact CG2-CD1 4.48Å; F189-L463 HydrophobicContact CB-CD1 3.94Å; F189-L463 HydrophobicContact CB-CG 4.12Å; F189-L463 HydrophobicContact CD1-CD1 4.35Å; F189-L463 HydrophobicContact CD1-CD2 4.03Å; F189-L463 HydrophobicContact CD1-CG 4.07Å; F189-L463 HydrophobicContact CG-CD1 4.39Å; F189-L463 HydrophobicContact CG-CG 4.49Å; A190-L463 PolarHBondContact O-N 3.45Å; A191-L463 WeakPolarHBondContact CA-O 3.15Å; A191-L463 HydrophobicContact CB-CB 3.86Å; A191-L463 HydrophobicContact CB-CD1 4.22Å; D192-L463 PolarHBondContact N-O 3.47Å; L463-W473 HydrophobicContact CB-CD2 4.07Å; L463-W473 HydrophobicContact CB-CG 3.98Å; L463-W473 HydrophobicContact CD1-CB 4.4Å; L463-W473 HydrophobicContact CD1-CG 4.35Å; L463-W473 WeakPolarHBondContact O-CZ2 3.49Å; L463-W473 PolarHBondContact O-NE1 3.28Å; L463-Q476 HydrophobicContact CD2-CB 3.98Å; L463-L477 HydrophobicContact CD1-CD1 4.33Å; L463-L477 HydrophobicContact CD1-CD2 4.24Å; L463-L477 HydrophobicContact CD1-CG 4.27Å
464E96.2Very high96.2Very high122 Ų12271.9 Ų71.957%0.5737%0.371SS*.  trans-75.2148.3-174-60.5-169.5158.300112.3D192 N462 S466 W473D192-E464 WeakPolarHBondContact OD2-CA 3.21Å; N462-E464 HydrophobicContact CB-CG 4.09Å; E464-S466 PolarHBondContact O-N 2.91Å; E464-W473 PolarHBondContact O-NE1 3.45Å
465R94.3Very high96.4Very high108 Ų10871.3 Ų71.341%0.40837%0.365SS..  trans-74.5115.2177.9-161.383.7173.3-166.7-0110.4D192 D197 W469D192-R465 HydrophobicContact CB-CB 3.77Å; D192-R465 WeakPolarHBondContact O-CD 3.42Å; D192-R465 PolarHBondContact O-NH1 3.19Å; D192-R465 PolarHBondContact OD2-N 2.98Å; D197-R465 VanDerWaalsContact CG-NH1 3.26Å; D197-R465 IonicContact OD1-CZ 3.39Å; D197-R465 IonicContact OD1-NH1 2.7Å; D197-R465 PolarHBondContact OD1-NH1 2.91Å; D197-R465 IonicContact OD1-NH2 3.13Å; D197-R465 PolarHBondContact OD1-NH2 3.33Å; D197-R465 IonicContact OD2-NH1 2.6Å; R465-W469 HydrophobicContact CG-CB 4.33Å; R465-W469 HydrophobicContact CG-CG 4.49Å; R465-W469 VanDerWaalsContact CZ-CE2 3.5Å; R465-W469 VanDerWaalsContact NH2-CE2 3.34Å
466S94.9Very high96.6Very high44 Ų4467.1 Ų67.131%0.30835%0.346SS..  trans-107.6-178.9168.873.90000111.7E464 D468 W469 D472E464-S466 PolarHBondContact O-N 2.91Å; S466-D468 VanDerWaalsContact C-N 3.31Å; S466-D468 PolarHBondContact OG-N 3.19Å; S466-W469 WeakPolarHBondContact O-CB 3.37Å; S466-W469 PolarHBondContact O-N 3.17Å; S466-W469 VanDerWaalsContact OG-CA 3.24Å; S466-W469 WeakPolarHBondContact OG-CA 3.47Å; S466-W469 PolarHBondContact OG-N 3.26Å; S466-D472 VanDerWaalsContact CB-OD2 3.24Å; S466-D472 WeakPolarHBondContact CB-OD2 3.42Å; S466-D472 PolarHBondContact OG-OD2 2.65Å
467A94.3Very high96.7Very high102 Ų10263.6 Ų63.684%0.84333%0.327SS*.THydrogen-bonded Turntrans-62.6-39.117300000112
468D94.7Very high96.8Very high113 Ų11361.6 Ų61.660%0.60431%0.309SS*.THydrogen-bonded Turntrans-10532.2178.4-69.7-38.8000111.9S466 C470 K471 D472S466-D468 VanDerWaalsContact C-N 3.31Å; S466-D468 PolarHBondContact OG-N 3.19Å; D468-C470 PolarHBondContact O-N 3.33Å; D468-K471 WeakPolarHBondContact O-CA 3.34Å; D468-K471 WeakPolarHBondContact O-CB 3.35Å; D468-K471 PolarHBondContact O-N 2.89Å; D468-D472 PolarHBondContact O-N 2.97Å; D468-D472 VanDerWaalsContact O-N 3.07Å
469W95.8Very high96.8Very high36 Ų3662.5 Ų62.514%0.13631%0.311CS..Hα-helixtrans-44.7-40.5-169.364.1-87.5000114.4D197 Q200 R465 S466 K471 D472 W473D197-W469 HydrophobicContact CB-CH2 4.04Å; D197-W469 HydrophobicContact CB-CZ3 4.12Å; D197-W469 WeakPolarHBondContact O-CZ3 3.32Å; Q200-W469 HydrophobicContact CB-CH2 4.22Å; Q200-W469 HydrophobicContact CG-CH2 4.4Å; R465-W469 HydrophobicContact CG-CB 4.33Å; R465-W469 HydrophobicContact CG-CG 4.49Å; R465-W469 VanDerWaalsContact CZ-CE2 3.5Å; R465-W469 VanDerWaalsContact NH2-CE2 3.34Å; S466-W469 WeakPolarHBondContact O-CB 3.37Å; S466-W469 PolarHBondContact O-N 3.17Å; S466-W469 VanDerWaalsContact OG-CA 3.24Å; S466-W469 WeakPolarHBondContact OG-CA 3.47Å; S466-W469 PolarHBondContact OG-N 3.26Å; W469-K471 VanDerWaalsContact C-N 3.34Å; W469-K471 PolarHBondContact O-N 3Å; W469-D472 PolarHBondContact O-N 3.11Å; W469-W473 AromaticContact CE3-CD2 3.92Å; W469-W473 HydrophobicContact CE3-CD2 3.92Å; W469-W473 AromaticContact CE3-CE3 3.68Å; W469-W473 HydrophobicContact CE3-CE3 3.68Å; W469-W473 AromaticContact CE3-CH2 3.95Å; W469-W473 HydrophobicContact CE3-CH2 3.95Å; W469-W473 HydrophobicContact CE3-CZ2 4.18Å; W469-W473 AromaticContact CE3-CZ3 3.69Å; W469-W473 HydrophobicContact CE3-CZ3 3.69Å; W469-W473 AromaticContact CZ3-CE3 3.88Å; W469-W473 HydrophobicContact CZ3-CE3 3.88Å; W469-W473 HydrophobicContact CZ3-CH2 4.35Å; W469-W473 AromaticContact CZ3-CZ3 3.76Å; W469-W473 HydrophobicContact CZ3-CZ3 3.76Å; W469-W473 WeakPolarHBondContact O-CB 3.39Å; W469-W473 PolarHBondContact O-N 3.47Å
470C95.7Very high96.9Very high10 Ų1062.5 Ų62.57%0.06831%0.311CS..Hα-helixtrans-65.5-40.2-177.2-174.60000111.1D468 E474D468-C470 PolarHBondContact O-N 3.33Å; C470-E474 WeakPolarHBondContact O-CB 3.23Å; C470-E474 PolarHBondContact O-N 2.93Å
471K96.7Very high96.9Very high112 Ų11258.1 Ų58.149%0.48729%0.294SS..Hα-helixtrans-72.4-43.3175.9-174.8-178.1168.8-168.70110.9D468 W469 W473 E474 E475D468-K471 WeakPolarHBondContact O-CA 3.34Å; D468-K471 WeakPolarHBondContact O-CB 3.35Å; D468-K471 PolarHBondContact O-N 2.89Å; W469-K471 VanDerWaalsContact C-N 3.34Å; W469-K471 PolarHBondContact O-N 3Å; K471-W473 PolarHBondContact O-N 3.37Å; K471-E474 WeakPolarHBondContact O-CB 3.46Å; K471-E474 PolarHBondContact O-N 3.07Å; K471-E475 WeakPolarHBondContact CE-OE1 3.4Å; K471-E475 IonicContact NZ-OE1 3.64Å; K471-E475 WeakPolarHBondContact O-CG 3.13Å; K471-E475 PolarHBondContact O-N 2.92Å
472D97.1Very high96.9Very high52 Ų5258 Ų5828%0.27829%0.293SS..Hα-helixtrans-64.1-41.4-178.7-65.4-5.7000111.9S466 D468 W469 E475 Q476S466-D472 VanDerWaalsContact CB-OD2 3.24Å; S466-D472 WeakPolarHBondContact CB-OD2 3.42Å; S466-D472 PolarHBondContact OG-OD2 2.65Å; D468-D472 PolarHBondContact O-N 2.97Å; D468-D472 VanDerWaalsContact O-N 3.07Å; W469-D472 PolarHBondContact O-N 3.11Å; D472-E475 PolarHBondContact O-N 2.95Å; D472-Q476 WeakPolarHBondContact O-CB 3.49Å; D472-Q476 VanDerWaalsContact O-CG 3.32Å; D472-Q476 WeakPolarHBondContact O-CG 3.33Å; D472-Q476 PolarHBondContact O-N 3.32Å
473W97.9Very high96.9Very high1 Ų158.3 Ų58.30%0.00429%0.292CS..Hα-helixtrans-67.5-39.8175.1-63.32.8000111.5A191 D192 D197 I198 P201 L463 E464 W469 K471 L477A191-W473 HydrophobicContact CB-CE3 4.29Å; A191-W473 HydrophobicContact CB-CH2 3.76Å; A191-W473 HydrophobicContact CB-CZ2 4.09Å; A191-W473 HydrophobicContact CB-CZ3 3.88Å; D192-W473 HydrophobicContact CB-CZ2 4.29Å; D192-W473 WeakPolarHBondContact O-CH2 3.28Å; D192-W473 VanDerWaalsContact O-CZ2 3.24Å; D192-W473 WeakPolarHBondContact O-CZ2 3.35Å; D197-W473 HydrophobicContact CB-CZ3 4.31Å; I198-W473 HydrophobicContact CG1-CZ3 4.19Å; P201-W473 HydrophobicContact CB-CB 4.37Å; P201-W473 HydrophobicContact CG-CB 4.2Å; P201-W473 HydrophobicContact CG-CE3 4.09Å; L463-W473 HydrophobicContact CB-CD2 4.07Å; L463-W473 HydrophobicContact CB-CG 3.98Å; L463-W473 HydrophobicContact CD1-CB 4.4Å; L463-W473 HydrophobicContact CD1-CG 4.35Å; L463-W473 WeakPolarHBondContact O-CZ2 3.49Å; L463-W473 PolarHBondContact O-NE1 3.28Å; E464-W473 PolarHBondContact O-NE1 3.45Å; W469-W473 AromaticContact CE3-CD2 3.92Å; W469-W473 HydrophobicContact CE3-CD2 3.92Å; W469-W473 AromaticContact CE3-CE3 3.68Å; W469-W473 HydrophobicContact CE3-CE3 3.68Å; W469-W473 AromaticContact CE3-CH2 3.95Å; W469-W473 HydrophobicContact CE3-CH2 3.95Å; W469-W473 HydrophobicContact CE3-CZ2 4.18Å; W469-W473 AromaticContact CE3-CZ3 3.69Å; W469-W473 HydrophobicContact CE3-CZ3 3.69Å; W469-W473 AromaticContact CZ3-CE3 3.88Å; W469-W473 HydrophobicContact CZ3-CE3 3.88Å; W469-W473 HydrophobicContact CZ3-CH2 4.35Å; W469-W473 AromaticContact CZ3-CZ3 3.76Å; W469-W473 HydrophobicContact CZ3-CZ3 3.76Å; W469-W473 WeakPolarHBondContact O-CB 3.39Å; W469-W473 PolarHBondContact O-N 3.47Å; K471-W473 PolarHBondContact O-N 3.37Å; W473-L477 WeakPolarHBondContact O-CB 3.39Å; W473-L477 WeakPolarHBondContact O-CG 3.45Å; W473-L477 PolarHBondContact O-N 3.31Å
474E97.8Very high96.9Very high31 Ų3158.3 Ų58.315%0.14529%0.292CS..Hα-helixtrans-58.4-48.1174.8-172.3-167.9147.800111.1P201 R204 L205 C470 K471 L477 R478P201-E474 HydrophobicContact CB-CB 3.96Å; R204-E474 HydrophobicContact CB-CG 4.36Å; R204-E474 VanDerWaalsContact CB-OE2 3.29Å; R204-E474 WeakPolarHBondContact CB-OE2 3.19Å; R204-E474 WeakPolarHBondContact CD-OE2 3.49Å; R204-E474 IonicContact NH1-OE2 3.65Å; L205-E474 HydrophobicContact CD2-CG 3.74Å; L205-E474 HydrophobicContact CG-CG 3.94Å; C470-E474 WeakPolarHBondContact O-CB 3.23Å; C470-E474 PolarHBondContact O-N 2.93Å; K471-E474 WeakPolarHBondContact O-CB 3.46Å; K471-E474 PolarHBondContact O-N 3.07Å; E474-L477 PolarHBondContact O-N 3.46Å; E474-R478 WeakPolarHBondContact O-CB 3.33Å; E474-R478 PolarHBondContact O-N 2.96Å; E474-R478 IonicContact OE1-CZ 2.82Å; E474-R478 IonicContact OE1-NE 3.13Å; E474-R478 IonicContact OE1-NH2 3.45Å; E474-R478 PolarHBondContact OE1-NH2 2.86Å
475E97.7Very high96.8Very high89 Ų8953.1 Ų53.142%0.41627%0.269SS..Hα-helixtrans-63.5-47.2179.3-73.5-180179.300111.7K471 D472 L477 R478 D479K471-E475 WeakPolarHBondContact CE-OE1 3.4Å; K471-E475 IonicContact NZ-OE1 3.64Å; K471-E475 WeakPolarHBondContact O-CG 3.13Å; K471-E475 PolarHBondContact O-N 2.92Å; D472-E475 PolarHBondContact O-N 2.95Å; E475-L477 PolarHBondContact O-N 3.49Å; E475-R478 WeakPolarHBondContact O-CB 3.41Å; E475-R478 PolarHBondContact O-N 3.24Å; E475-D479 WeakPolarHBondContact O-CB 3.41Å; E475-D479 PolarHBondContact O-N 2.77Å
476Q98.1Very high97Very high86 Ų8655.1 Ų55.140%0.40228%0.276SS..Hα-helixtrans-60.2-44.3177.7-74.3-179.954.700112.7L463 D472 D479 W480L463-Q476 HydrophobicContact CD2-CB 3.98Å; D472-Q476 WeakPolarHBondContact O-CB 3.49Å; D472-Q476 VanDerWaalsContact O-CG 3.32Å; D472-Q476 WeakPolarHBondContact O-CG 3.33Å; D472-Q476 PolarHBondContact O-N 3.32Å; Q476-D479 PolarHBondContact O-N 3.37Å; Q476-W480 PolarHBondContact O-N 2.67Å
477L98.3Very high97Very high1 Ų154 Ų541%0.00527%0.268CS..Hα-helixtrans-66.8-40.5177.4-70.7171.8000111.4V164 F189 L202 L205 L463 W473 E474 E475 W480 I481V164-L477 HydrophobicContact CG2-CD1 4.15Å; V164-L477 HydrophobicContact CG2-CD2 3.89Å; F189-L477 HydrophobicContact CD1-CD2 4.32Å; F189-L477 HydrophobicContact CD2-CD2 3.98Å; F189-L477 HydrophobicContact CE1-CD2 4.4Å; F189-L477 HydrophobicContact CE2-CD2 4.08Å; F189-L477 HydrophobicContact CG-CD2 4.12Å; F189-L477 HydrophobicContact CZ-CD2 4.29Å; L202-L477 HydrophobicContact CD1-CD1 3.71Å; L205-L477 HydrophobicContact CD1-CB 3.79Å; L205-L477 HydrophobicContact CD1-CD1 4.13Å; L463-L477 HydrophobicContact CD1-CD1 4.33Å; L463-L477 HydrophobicContact CD1-CD2 4.24Å; L463-L477 HydrophobicContact CD1-CG 4.27Å; W473-L477 WeakPolarHBondContact O-CB 3.39Å; W473-L477 WeakPolarHBondContact O-CG 3.45Å; W473-L477 PolarHBondContact O-N 3.31Å; E474-L477 PolarHBondContact O-N 3.46Å; E475-L477 PolarHBondContact O-N 3.49Å; L477-W480 PolarHBondContact O-N 3.16Å; L477-I481 WeakPolarHBondContact O-CD1 3.38Å; L477-I481 WeakPolarHBondContact O-CG1 3.38Å; L477-I481 VanDerWaalsContact O-CG1 3.23Å; L477-I481 PolarHBondContact O-N 2.98Å
478R98.3Very high97.1Very high44 Ų4451 Ų5117%0.16624%0.235CC..Hα-helixtrans-60-47.1175.5-179.9-178.3-64.2-862.9111.7L205 D208 L211 E474 E475 W480 I481 Q482L205-R478 HydrophobicContact CD2-CB 3.89Å; D208-R478 IonicContact OD2-CZ 2.67Å; D208-R478 IonicContact OD2-NH1 3.96Å; D208-R478 PolarHBondContact OD2-NH1 3.35Å; D208-R478 IonicContact OD2-NH2 3.99Å; D208-R478 PolarHBondContact OD2-NH2 2.98Å; L211-R478 HydrophobicContact CD1-CG 4.12Å; E474-R478 WeakPolarHBondContact O-CB 3.33Å; E474-R478 PolarHBondContact O-N 2.96Å; E474-R478 IonicContact OE1-CZ 2.82Å; E474-R478 IonicContact OE1-NE 3.13Å; E474-R478 IonicContact OE1-NH2 3.45Å; E474-R478 PolarHBondContact OE1-NH2 2.86Å; E475-R478 WeakPolarHBondContact O-CB 3.41Å; E475-R478 PolarHBondContact O-N 3.24Å; R478-W480 VanDerWaalsContact C-N 3.29Å; R478-W480 PolarHBondContact O-N 3.42Å; R478-I481 PolarHBondContact O-N 3.17Å; R478-Q482 WeakPolarHBondContact O-CG 3.48Å; R478-Q482 PolarHBondContact O-N 3.42Å
479D98.1Very high97Very high95 Ų9553 Ų5351%0.50824%0.238SC..Hα-helixtrans-62.1-39.9178.1-74.9-9.3000111.1E475 Q476 Q482 F483E475-D479 WeakPolarHBondContact O-CB 3.41Å; E475-D479 PolarHBondContact O-N 2.77Å; Q476-D479 PolarHBondContact O-N 3.37Å; D479-Q482 PolarHBondContact O-N 2.94Å; D479-F483 WeakPolarHBondContact O-CB 3.42Å; D479-F483 PolarHBondContact O-N 2.88Å
480W98.1Very high96.9Very high42 Ų4258.1 Ų58.116%0.15927%0.268CS..Hα-helixtrans-65.5-44.4175.6-162.5-95.8000112.6L162 H187 F189 Q461 Q476 L477 R478 Q482 F483 V484 Y495L162-W480 HydrophobicContact CD2-CB 4.43Å; L162-W480 HydrophobicContact CD2-CG 4.44Å; H187-W480 AromaticContact CD2-NE1 3.88Å; H187-W480 AromaticContact CE1-NE1 3.95Å; H187-W480 AromaticContact CG-NE1 3.2Å; H187-W480 AromaticContact ND1-CE2 3.82Å; H187-W480 AromaticContact ND1-CZ2 3.76Å; H187-W480 AromaticContact ND1-NE1 3.26Å; H187-W480 PolarHBondContact ND1-NE1 3.08Å; F189-W480 HydrophobicContact CE2-CG 4.31Å; F189-W480 HydrophobicContact CZ-CB 4.03Å; F189-W480 AromaticContact CZ-CD1 3.84Å; F189-W480 AromaticContact CZ-CD2 3.94Å; F189-W480 HydrophobicContact CZ-CD2 3.94Å; F189-W480 AromaticContact CZ-CG 3.63Å; F189-W480 HydrophobicContact CZ-CG 3.63Å; Q461-W480 VanDerWaalsContact NE2-CH2 3.27Å; Q461-W480 VanDerWaalsContact NE2-CZ3 3.27Å; Q476-W480 PolarHBondContact O-N 2.67Å; L477-W480 PolarHBondContact O-N 3.16Å; R478-W480 VanDerWaalsContact C-N 3.29Å; R478-W480 PolarHBondContact O-N 3.42Å; W480-Q482 VanDerWaalsContact C-N 3.28Å; W480-Q482 PolarHBondContact O-N 2.88Å; W480-F483 HydrophobicContact CZ3-CE1 4.36Å; W480-F483 PolarHBondContact O-N 2.77Å; W480-F483 WeakPolarHBondContact O-CB 3.48Å; W480-F483 HydrophobicContact CZ3-CD1 4.19Å; W480-F483 HydrophobicContact CZ2-CE1 4.14Å; W480-F483 HydrophobicContact CH2-CE1 3.99Å; W480-F483 AromaticContact CH2-CE1 3.99Å; W480-F483 HydrophobicContact CH2-CD1 4.16Å; W480-F483 HydrophobicContact CE3-CD1 4.26Å; W480-F483 HydrophobicContact CD2-CD1 4.3Å; W480-F483 HydrophobicContact CZ2-CD1 4.21Å; W480-V484 HydrophobicContact CG-CG2 4.47Å; W480-V484 WeakPolarHBondContact O-CG2 3.45Å; W480-V484 PolarHBondContact O-N 3.01Å; W480-Y495 AromaticContact CZ2-CZ 3.89Å; W480-Y495 WeakPolarHBondContact CZ2-OH 3.48Å; W480-Y495 HydrophobicContact CZ2-CE1 4.19Å; W480-Y495 HydrophobicContact CH2-CE1 4.31Å
481I98.1Very high96.7Very high0 Ų061 Ų610%030%0.3CS..Hα-helixtrans-56.6-44.6175.2-69.7161.2000110.5V136 L162 L205 L211 H215 L217 L477 R478 S485V136-I481 HydrophobicContact CG1-CG1 4.2Å; V136-I481 HydrophobicContact CG1-CG2 4.35Å; L162-I481 HydrophobicContact CD2-CD1 4.43Å; L162-I481 HydrophobicContact CD2-CG1 3.62Å; L205-I481 HydrophobicContact CD1-CD1 4.42Å; L211-I481 HydrophobicContact CD2-CD1 4.45Å; H215-I481 HydrophobicContact CB-CG2 3.75Å; L217-I481 HydrophobicContact CD1-CD1 3.84Å; L217-I481 HydrophobicContact CD1-CG1 4.34Å; L217-I481 HydrophobicContact CD2-CD1 4.4Å; L477-I481 WeakPolarHBondContact O-CD1 3.38Å; L477-I481 WeakPolarHBondContact O-CG1 3.38Å; L477-I481 VanDerWaalsContact O-CG1 3.23Å; L477-I481 PolarHBondContact O-N 2.98Å; R478-I481 PolarHBondContact O-N 3.17Å; I481-S485 WeakPolarHBondContact O-CB 3.27Å; I481-S485 PolarHBondContact O-N 3.04Å; I481-S485 PolarHBondContact O-OG 2.75Å
482Q97.8Very high96.6Very high67 Ų6757.1 Ų57.131%0.31329%0.291SS..Hα-helixtrans-68.3-39.2177.7-69.8177.95.800112.6R478 D479 W480 R486R478-Q482 WeakPolarHBondContact O-CG 3.48Å; R478-Q482 PolarHBondContact O-N 3.42Å; D479-Q482 PolarHBondContact O-N 2.94Å; W480-Q482 VanDerWaalsContact C-N 3.28Å; W480-Q482 PolarHBondContact O-N 2.88Å; Q482-R486 WeakPolarHBondContact O-CB 3.36Å; Q482-R486 VanDerWaalsContact O-CG 3.29Å; Q482-R486 WeakPolarHBondContact O-CG 3.5Å; Q482-R486 PolarHBondContact O-N 2.8Å; Q482-R486 PolarHBondContact O-NE 3.48Å
483F97.6Very high96.4Very high69 Ų6958.6 Ų58.630%0.30330%0.302SS..Hα-helixtrans-60-56174.1167.3-106.2000111D479 W480 S485 R486 T487 C494D479-F483 WeakPolarHBondContact O-CB 3.42Å; D479-F483 PolarHBondContact O-N 2.88Å; W480-F483 HydrophobicContact CZ3-CE1 4.36Å; W480-F483 PolarHBondContact O-N 2.77Å; W480-F483 WeakPolarHBondContact O-CB 3.48Å; W480-F483 HydrophobicContact CZ3-CD1 4.19Å; W480-F483 HydrophobicContact CZ2-CE1 4.14Å; W480-F483 HydrophobicContact CH2-CE1 3.99Å; W480-F483 AromaticContact CH2-CE1 3.99Å; W480-F483 HydrophobicContact CH2-CD1 4.16Å; W480-F483 HydrophobicContact CE3-CD1 4.26Å; W480-F483 HydrophobicContact CD2-CD1 4.3Å; W480-F483 HydrophobicContact CZ2-CD1 4.21Å; F483-S485 VanDerWaalsContact C-N 3.3Å; F483-S485 PolarHBondContact O-N 2.97Å; F483-R486 PolarHBondContact O-N 2.92Å; F483-R486 VanDerWaalsContact O-N 3.12Å; F483-T487 WeakPolarHBondContact CE2-OG1 3.42Å; F483-T487 PolarHBondContact O-N 3.32Å; F483-T487 PolarHBondContact O-OG1 3.32Å; F483-T487 VanDerWaalsContact O-OG1 3.07Å; F483-C494 HydrophobicContact CE1-CB 4.28Å
484V96.9Very high96.2Very high0 Ų059 Ų590%031%0.305CS..Hα-helixtrans-54.1-50179171.40000110D160 W480 R486 T487 R488D160-V484 HydrophobicContact CB-CG1 3.61Å; W480-V484 HydrophobicContact CG-CG2 4.47Å; W480-V484 WeakPolarHBondContact O-CG2 3.45Å; W480-V484 PolarHBondContact O-N 3.01Å; V484-R486 VanDerWaalsContact C-N 3.33Å; V484-R486 PolarHBondContact O-N 2.92Å; V484-T487 PolarHBondContact O-N 2.58Å; V484-R488 HydrophobicContact CG1-CG 4.27Å; V484-R488 VanDerWaalsContact O-CG 3.3Å; V484-R488 WeakPolarHBondContact O-CG 3.14Å; V484-R488 PolarHBondContact O-N 2.71Å
485S95.8Very high95.9Very high14 Ų1459.4 Ų59.410%0.09831%0.305CS..Hα-helixtrans-60.2-40.1-179.2-62.50000113.4H215 I481 F483 K489H215-S485 WeakPolarHBondContact ND1-CB 3.24Å; H215-S485 PolarHBondContact ND1-OG 3.48Å; I481-S485 WeakPolarHBondContact O-CB 3.27Å; I481-S485 PolarHBondContact O-N 3.04Å; I481-S485 PolarHBondContact O-OG 2.75Å; F483-S485 VanDerWaalsContact C-N 3.3Å; F483-S485 PolarHBondContact O-N 2.97Å; S485-K489 VanDerWaalsContact O-N 3.08Å; S485-K489 PolarHBondContact O-N 3.18Å; S485-K489 VanDerWaalsContact O-CG 3.27Å; S485-K489 WeakPolarHBondContact O-CB 3.39Å; S485-K489 WeakPolarHBondContact O-CG 3.43Å
486R96.9Very high95.2Very high149 Ų14959.6 Ų59.656%0.56232%0.315SS*.Hα-helixtrans-67.4-45.3175.8-76-178.4-67.5168.1-2.6111.4Q482 F483 V484 R488 K489 N490Q482-R486 WeakPolarHBondContact O-CB 3.36Å; Q482-R486 VanDerWaalsContact O-CG 3.29Å; Q482-R486 WeakPolarHBondContact O-CG 3.5Å; Q482-R486 PolarHBondContact O-N 2.8Å; Q482-R486 PolarHBondContact O-NE 3.48Å; F483-R486 PolarHBondContact O-N 2.92Å; F483-R486 VanDerWaalsContact O-N 3.12Å; V484-R486 VanDerWaalsContact C-N 3.33Å; V484-R486 PolarHBondContact O-N 2.92Å; R486-R488 VanDerWaalsContact C-N 3.33Å; R486-R488 PolarHBondContact O-N 3.22Å; R486-K489 PolarHBondContact O-N 3.33Å; R486-N490 PolarHBondContact O-N 2.75Å; R486-N490 VanDerWaalsContact O-N 3.15Å; R486-N490 PolarHBondContact O-ND2 2.83Å
487T96.6Very high94.2Very high21 Ų2162.8 Ų62.813%0.12933%0.334CS..Hα-helixtrans-57.8-46.8177.9-61.90000110.7F483 V484 N490 G491 G492 V493F483-T487 WeakPolarHBondContact CE2-OG1 3.42Å; F483-T487 PolarHBondContact O-N 3.32Å; F483-T487 PolarHBondContact O-OG1 3.32Å; F483-T487 VanDerWaalsContact O-OG1 3.07Å; V484-T487 PolarHBondContact O-N 2.58Å; T487-N490 PolarHBondContact O-N 3.11Å; T487-G491 PolarHBondContact O-N 2.8Å; T487-G492 PolarHBondContact O-N 3.39Å; T487-V493 WeakPolarHBondContact CG2-O 3.36Å
488R94.8Very high92.6Very high39 Ų3965.3 Ų65.315%0.14735%0.348CS..Hα-helixtrans-65.5-41.1177.7-62.4-53.8-177.4-156.5-4.4113.8R134 D160 D184 V484 R486 N490 G491 G492R134-R488 VanDerWaalsContact NH2-CD 3.28Å; D160-R488 IonicContact OD1-CZ 3.51Å; D160-R488 VanDerWaalsContact OD1-CZ 3.26Å; D160-R488 IonicContact OD1-NE 2.63Å; D160-R488 PolarHBondContact OD1-NE 3.1Å; D160-R488 IonicContact OD1-NH2 3.26Å; D160-R488 PolarHBondContact OD1-NH2 2.99Å; D160-R488 WeakPolarHBondContact OD2-CG 3.33Å; D160-R488 IonicContact OD2-NE 2.8Å; D160-R488 PolarHBondContact OD2-NE 3.36Å; D184-R488 PolarHBondContact O-NH2 2.91Å; D184-R488 VanDerWaalsContact O-NH2 3.13Å; D184-R488 IonicContact OD2-CZ 3.36Å; D184-R488 IonicContact OD2-NH1 2.82Å; D184-R488 PolarHBondContact OD2-NH1 3.36Å; D184-R488 IonicContact OD2-NH2 3.12Å; D184-R488 PolarHBondContact OD2-NH2 3Å; V484-R488 HydrophobicContact CG1-CG 4.27Å; V484-R488 VanDerWaalsContact O-CG 3.3Å; V484-R488 WeakPolarHBondContact O-CG 3.14Å; V484-R488 PolarHBondContact O-N 2.71Å; R486-R488 VanDerWaalsContact C-N 3.33Å; R486-R488 PolarHBondContact O-N 3.22Å; R488-N490 PolarHBondContact O-N 2.7Å; R488-G491 PolarHBondContact O-N 2.86Å; R488-G492 PolarHBondContact NH1-O 3.24Å
489K93Very high90.3Very high156 Ų15671.9 Ų71.968%0.67840%0.396SS*.Hα-helixtrans-59.7-29.7175.5-78.8176.1-178.2-1790112.4S485 R486S485-K489 VanDerWaalsContact O-N 3.08Å; S485-K489 PolarHBondContact O-N 3.18Å; S485-K489 VanDerWaalsContact O-CG 3.27Å; S485-K489 WeakPolarHBondContact O-CB 3.39Å; S485-K489 WeakPolarHBondContact O-CG 3.43Å; R486-K489 PolarHBondContact O-N 3.33Å
490N94.2Very high90Very high142 Ų14270.7 Ų70.776%0.75939%0.39SS*.THydrogen-bonded Turntrans-91.34.8178.1-64.5-16.1000113.6R486 T487 R488 G492R486-N490 PolarHBondContact O-N 2.75Å; R486-N490 VanDerWaalsContact O-N 3.15Å; R486-N490 PolarHBondContact O-ND2 2.83Å; T487-N490 PolarHBondContact O-N 3.11Å; R488-N490 PolarHBondContact O-N 2.7Å; N490-G492 VanDerWaalsContact C-N 3.26Å; N490-G492 PolarHBondContact O-N 2.91Å
491G91.9Very high89.5Confident72 Ų7272.2 Ų72.274%0.74240%0.403SS*.THydrogen-bonded Turntrans69.719.7-176.900000114.4T487 R488T487-G491 PolarHBondContact O-N 2.8Å; R488-G491 PolarHBondContact O-N 2.86Å
492G93.3Very high89.1Confident29 Ų2976.2 Ų76.230%0.29943%0.425SS..  trans-86.7170.7-179.600000114.3T487 R488 N490T487-G492 PolarHBondContact O-N 3.39Å; R488-G492 PolarHBondContact NH1-O 3.24Å; N490-G492 VanDerWaalsContact C-N 3.26Å; N490-G492 PolarHBondContact O-N 2.91Å
493V94Very high88.5Confident84 Ų8476.8 Ų76.851%0.50943%0.432SS..  trans-104144.4169.1-68.10000110D184 T487 Y495 P496D184-V493 WeakPolarHBondContact OD2-CA 3.42Å; T487-V493 WeakPolarHBondContact CG2-O 3.36Å; V493-Y495 VanDerWaalsContact C-N 3.33Å; V493-P496 HydrophobicContact CG2-CB 4.06Å
494C92.8Very high88Confident10 Ų1077.3 Ų77.37%0.06844%0.44CS..SBendtrans-76.4-24.4179.2-74.20000112.3D184 F483D184-C494 WeakPolarHBondContact OD1-CA 3.42Å; D184-C494 PolarHBondContact OD1-N 3.44Å; D184-C494 PolarHBondContact OD2-N 3.34Å; F483-C494 HydrophobicContact CE1-CB 4.28Å
495Y92.7Very high87.4Confident38 Ų3882.4 Ų82.415%0.14947%0.469CS..  trans-13479.4-175.6-54.6-80000110.8D184 H187 R459 W480 V493 D497 N498D184-Y495 WeakPolarHBondContact OD1-CD2 3.46Å; D184-Y495 PolarHBondContact OD1-N 3.16Å; H187-Y495 AromaticContact CE1-CE2 3.61Å; H187-Y495 AromaticContact ND1-CE2 3.33Å; H187-Y495 VanDerWaalsContact ND1-CE2 3.33Å; H187-Y495 WeakPolarHBondContact ND1-CE2 3.49Å; H187-Y495 AromaticContact ND1-CZ 3.49Å; H187-Y495 PolarHBondContact ND1-OH 2.88Å; R459-Y495 VanDerWaalsContact CZ-CD2 3.44Å; R459-Y495 VanDerWaalsContact CZ-CZ 3.43Å; R459-Y495 VanDerWaalsContact NH1-CB 3.28Å; W480-Y495 AromaticContact CZ2-CZ 3.89Å; W480-Y495 WeakPolarHBondContact CZ2-OH 3.48Å; W480-Y495 HydrophobicContact CZ2-CE1 4.19Å; W480-Y495 HydrophobicContact CH2-CE1 4.31Å; V493-Y495 VanDerWaalsContact C-N 3.33Å; Y495-D497 PolarHBondContact O-N 3.13Å; Y495-N498 PolarHBondContact O-N 2.77Å
496P81.8Confident86.8Confident94 Ų9487.3 Ų87.361%0.6150%0.495SS*.THydrogen-bonded Turntrans-67.6-23.4-176.328-35.1000113.6V493V493-P496 HydrophobicContact CG2-CB 4.06Å
497D76.5Confident86Confident153 Ų15382.5 Ų82.582%0.81849%0.49SS*.THydrogen-bonded Turntrans-95.28.1-176.4-55.3-47.8000113.3Y495Y495-D497 PolarHBondContact O-N 3.13Å
498N65.8Low85.1Confident54 Ų5487.7 Ų87.729%0.28952%0.52SS..  trans-69.1132.7172.7-95.59.7000109.8L182 R459 Y495L182-N498 PolarHBondContact O-ND2 3.38Å; R459-N498 PolarHBondContact NH1-ND2 2.72Å; R459-N498 PolarHBondContact NH1-OD1 3.11Å; Y495-N498 PolarHBondContact O-N 2.77Å
499P50.7Low84.2Confident181 Ų18192.1 Ų92.1100%1.17555%0.554SS**  trans-64.50-176.226.5-34.3000114

Retrieved 499 of 499 residues in 215.3 ms (Link to these results)

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