A0A077Z1M2_TRITR Loading...

acid phosphatase

AlphaFold DB , UniProt , Accession A0A077Z1M2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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
1M96.4Very high97.4Very high17 Ų1713 Ų138%0.0846%0.062CC..  0151.2063.6176.1-72.600110.5Y3 L46 M252 V253 M254 Y255 C282 I283 L284M1-Y3 HydrophobicContact CE-CD1 3.44Å; M1-Y3 VanDerWaalsContact CE-CD1 3.44Å; M1-Y3 HydrophobicContact CE-CE1 3.89Å; M1-Y3 HydrophobicContact CE-CG 4.4Å; M1-L46 HydrophobicContact CE-CD1 3.37Å; M1-L46 HydrophobicContact CE-CD2 3.83Å; M1-L46 HydrophobicContact CE-CG 4.23Å; M1-L46 HydrophobicContact SD-CD1 3.68Å; M1-L46 HydrophobicContact SD-CD2 3.84Å; M1-L46 HydrophobicContact SD-CG 4.4Å; M1-M252 HydrophobicContact SD-SD 3.97Å; M1-V253 PolarHBondContact N-O 3.31Å; M1-M254 HydrophobicContact CE-CE 4.31Å; M1-M254 HydrophobicContact CG-CB 4.1Å; M1-M254 HydrophobicContact CG-CG 3.89Å; M1-M254 HydrophobicContact SD-CB 4.4Å; M1-M254 HydrophobicContact SD-CE 3.82Å; M1-M254 HydrophobicContact SD-CG 3.81Å; M1-M254 HydrophobicContact SD-SD 4.49Å; M1-Y255 VanDerWaalsContact O-CD2 3.3Å; M1-Y255 WeakPolarHBondContact O-CD2 3.39Å; M1-Y255 PolarHBondContact O-N 3.21Å; M1-C282 WeakPolarHBondContact CE-SG 3.38Å; M1-I283 CarbonylContact C-O 3.56Å; M1-I283 WeakPolarHBondContact CA-O 3.46Å; M1-L284 HydrophobicContact CB-CD2 4.05Å
2L98.5Very high97.3Very high0 Ų012.7 Ų12.70%07%0.065CC..EExtended strand (participates in β ladder)trans-132.9130.5179.317269.3000108.7L115 L229 M233 Y255 A257 T261 L262 F265 C282 I283L2-L115 HydrophobicContact CD1-CD2 4.31Å; L2-L229 HydrophobicContact CD1-CD2 4.1Å; L2-L229 HydrophobicContact CD2-CD2 3.84Å; L2-M233 HydrophobicContact CB-CE 4.27Å; L2-Y255 WeakPolarHBondContact CA-O 3.37Å; L2-A257 HydrophobicContact CD1-CB 3.79Å; L2-T261 HydrophobicContact CD1-CG2 3.98Å; L2-T261 HydrophobicContact CD2-CG2 4.31Å; L2-L262 HydrophobicContact CD1-CD1 4.33Å; L2-L262 HydrophobicContact CD2-CD1 4.06Å; L2-L262 HydrophobicContact CD2-CG 4.19Å; L2-L262 HydrophobicContact CG-CD1 3.8Å; L2-L262 HydrophobicContact CG-CG 4.25Å; L2-F265 HydrophobicContact CD2-CB 3.99Å; L2-F265 HydrophobicContact CD2-CD2 4.25Å; L2-F265 HydrophobicContact CD2-CG 4.09Å; L2-C282 CarbonylContact O-C 3.47Å; L2-C282 WeakPolarHBondContact O-CA 3.3Å; L2-C282 PolarHBondContact O-SG 2.87Å; L2-I283 HydrophobicContact CD2-CD1 4.47Å; L2-I283 PolarHBondContact N-O 3.11Å; L2-I283 PolarHBondContact O-N 3.4Å
3Y98.7Very high97.2Very high0 Ų012.8 Ų12.80%07%0.066CC..EExtended strand (participates in β ladder)trans-138.5151.4179.758.3-90.1000112.9M1 L42 A77 M254 Y255 S256 A257 S281M1-Y3 HydrophobicContact CE-CD1 3.44Å; M1-Y3 VanDerWaalsContact CE-CD1 3.44Å; M1-Y3 HydrophobicContact CE-CE1 3.89Å; M1-Y3 HydrophobicContact CE-CG 4.4Å; Y3-L42 HydrophobicContact CD2-CD2 4.45Å; Y3-L42 HydrophobicContact CG-CD2 4.15Å; Y3-A77 WeakPolarHBondContact OH-CA 3.24Å; Y3-M254 HydrophobicContact CE1-CB 4.4Å; Y3-M254 HydrophobicContact CE1-CE 4.3Å; Y3-Y255 WeakPolarHBondContact CD1-O 3.33Å; Y3-Y255 PolarHBondContact N-O 3.44Å; Y3-S256 WeakPolarHBondContact CE2-OG 3.43Å; Y3-A257 PolarHBondContact O-N 3.3Å; Y3-S281 CarbonylContact C-O 3.6Å; Y3-S281 VanDerWaalsContact CA-O 3.22Å; Y3-S281 WeakPolarHBondContact CA-O 3.3Å; Y3-S281 VanDerWaalsContact CB-O 3.31Å; Y3-S281 WeakPolarHBondContact CB-O 3.27Å
4R98.4Very high97.3Very high9 Ų912.1 Ų12.13%0.0346%0.062CC..EExtended strand (participates in β ladder)trans-78.9143171.8-178.9179.9166.8163.73108.5Q39 E259 L262 P277 P278 M279 A280 S281R4-Q39 PolarHBondContact O-NE2 2.97Å; R4-E259 IonicContact CZ-OE1 2.77Å; R4-E259 VanDerWaalsContact NH1-CD 3.29Å; R4-E259 IonicContact NH1-OE1 4Å; R4-E259 PolarHBondContact NH1-OE1 2.62Å; R4-E259 IonicContact NH2-OE1 3.12Å; R4-L262 HydrophobicContact CB-CD1 4.27Å; R4-L262 HydrophobicContact CB-CD2 4.23Å; R4-P277 WeakPolarHBondContact CD-O 3.32Å; R4-P277 PolarHBondContact NH1-O 3.1Å; R4-P278 WeakPolarHBondContact CD-O 3.49Å; R4-M279 PolarHBondContact NE-SD 3.1Å; R4-M279 PolarHBondContact NH2-SD 2.66Å; R4-A280 WeakPolarHBondContact O-CA 3.43Å; R4-A280 PolarHBondContact O-N 2.96Å; R4-S281 PolarHBondContact N-O 2.96Å
5H98.6Very high97.4Very high6 Ų616.5 Ų16.53%0.0289%0.092CC..  trans-51.6160.916961.273.1000112.9Q39 R72 T73 S76 A257 H258 A280H5-Q39 VanDerWaalsContact C-NE2 3.29Å; H5-R72 HydrophobicContact CB-CG 4.46Å; H5-R72 PolarHBondContact CD2-NE 3.03Å; H5-R72 PolarHBondContact NE2-NE 3.09Å; H5-R72 VanDerWaalsContact NE2-NE 3.17Å; H5-T73 HydrophobicContact CB-CG2 3.94Å; H5-S76 WeakPolarHBondContact CA-OG 3.24Å; H5-S76 VanDerWaalsContact CB-OG 3.3Å; H5-S76 WeakPolarHBondContact CB-OG 3.25Å; H5-A257 PolarHBondContact CD2-O 3.11Å; H5-A257 PolarHBondContact N-O 3.11Å; H5-A257 VanDerWaalsContact N-O 3.09Å; H5-H258 AromaticContact CD2-ND1 3.54Å; H5-H258 AromaticContact NE2-ND1 3.82Å; H5-A280 PolarHBondContact O-N 3.21Å; H5-A280 VanDerWaalsContact O-N 3.08Å
6G97.9Very high97.4Very high0 Ų021.1 Ų21.10%012%0.116CC..  trans-71.2-178.2173.800000113.2Q39 S76G6-Q39 VanDerWaalsContact N-NE2 3.12Å; G6-S76 PolarHBondContact N-OG 2.99Å
7E96.8Very high97.4Very high19 Ų1920 Ų209%0.08911%0.11CC..  trans-50.8138.4174.2-167.755.6-94.600113.4L31 L32 L34 G35 R173E7-L31 WeakPolarHBondContact O-CD1 3.43Å; E7-L32 HydrophobicContact CG-CD1 4.22Å; E7-L32 PolarHBondContact O-N 2.9Å; E7-L34 HydrophobicContact CB-CB 4.4Å; E7-L34 HydrophobicContact CB-CD2 4.42Å; E7-L34 HydrophobicContact CB-CG 4.22Å; E7-L34 HydrophobicContact CG-CD2 4.17Å; E7-L34 HydrophobicContact CG-CG 4.46Å; E7-G35 WeakPolarHBondContact O-CA 3.43Å; E7-R173 IonicContact OE1-CZ 3.44Å; E7-R173 IonicContact OE1-NE 2.69Å; E7-R173 PolarHBondContact OE1-NE 3.03Å; E7-R173 IonicContact OE1-NH2 3.03Å; E7-R173 PolarHBondContact OE1-NH2 2.61Å; E7-R173 IonicContact OE2-CZ 2.86Å; E7-R173 IonicContact OE2-NE 2.86Å; E7-R173 IonicContact OE2-NH2 3.68Å; E7-R173 PolarHBondContact OE2-NH2 3.42Å
8R96.4Very high97.4Very high22 Ų2223.4 Ų23.48%0.08313%0.134CC..BIsolated β-bridgetrans-144.3157.7-173.658.6139-178.380.27.9112.1Q30 R72 R173 M279R8-Q30 CarbonylContact C-O 3.59Å; R8-Q30 WeakPolarHBondContact CA-O 3.46Å; R8-Q30 WeakPolarHBondContact CB-O 3.49Å; R8-R72 VanDerWaalsContact CD-CD 3.5Å; R8-R173 WeakPolarHBondContact O-CG 3.32Å; R8-M279 HydrophobicContact CG-CE 4.06Å
9S97.1Very high97.4Very high0 Ų024.5 Ų24.50%014%0.136CC..  trans-60.2159.5167.363.90000111.1W24 G27 F28 R29 Q30S9-W24 VanDerWaalsContact CB-CE3 3.48Å; S9-G27 WeakPolarHBondContact CB-O 3.5Å; S9-G27 PolarHBondContact OG-O 3.37Å; S9-F28 VanDerWaalsContact OG-C 3.26Å; S9-F28 WeakPolarHBondContact OG-CA 3.44Å; S9-R29 PolarHBondContact OG-N 3.49Å; S9-Q30 PolarHBondContact N-O 3.2Å; S9-Q30 PolarHBondContact OG-N 2.99Å; S9-Q30 PolarHBondContact OG-O 2.79Å
10P97.2Very high97.4Very high0 Ų027 Ų270%015%0.145CC..  trans-51.8159.3-178.8-27.433.9000113.3G12 W24 F28 R29 A170 R173P10-G12 PolarHBondContact O-N 3.48Å; P10-G12 VanDerWaalsContact O-N 3.14Å; P10-W24 VanDerWaalsContact CD-CD2 3.4Å; P10-W24 VanDerWaalsContact CD-CZ2 3.41Å; P10-W24 HydrophobicContact CG-CD2 4.19Å; P10-W24 HydrophobicContact CG-CH2 3.84Å; P10-W24 HydrophobicContact CG-CZ2 3.39Å; P10-W24 HydrophobicContact CG-CZ3 4.36Å; P10-F28 HydrophobicContact CB-CD1 4.1Å; P10-F28 HydrophobicContact CB-CE1 4.23Å; P10-F28 HydrophobicContact CG-CD1 4.47Å; P10-F28 HydrophobicContact CG-CE1 4.42Å; P10-F28 WeakPolarHBondContact O-CB 3.34Å; P10-R29 PolarHBondContact O-N 3.21Å; P10-A170 HydrophobicContact CB-CB 4.39Å; P10-R173 HydrophobicContact CG-CB 3.78Å; P10-R173 HydrophobicContact CG-CG 4.42Å
11L95Very high97.4Very high70 Ų7030.6 Ų30.637%0.36616%0.161SC..SBendtrans-72.6-1.5173.2-62.8-179.8000113.4R29L11-R29 HydrophobicContact CB-CG 4.39Å; L11-R29 HydrophobicContact CD2-CG 3.88Å; L11-R29 PolarHBondContact O-NE 3.27Å; L11-R29 PolarHBondContact O-NH2 2.85Å; L11-R29 VanDerWaalsContact O-NH2 3.12Å
12G96.2Very high97.4Very high9 Ų936.3 Ų36.39%0.09319%0.192CC..  trans123.4165.2-16000000109.6P10P10-G12 PolarHBondContact O-N 3.48Å; P10-G12 VanDerWaalsContact O-N 3.14Å
13T97Very high97.3Very high14 Ų1438.6 Ų38.69%0.08621%0.206CC..  trans-125.4-162.7-171.9-165.40000113.6D17 K20 F28 K166T13-D17 WeakPolarHBondContact CB-OD2 3.45Å; T13-D17 HydrophobicContact CG2-CB 3.86Å; T13-D17 WeakPolarHBondContact CG2-OD2 3.49Å; T13-D17 VanDerWaalsContact OG1-CB 3.23Å; T13-D17 WeakPolarHBondContact OG1-CB 3.25Å; T13-D17 PolarHBondContact OG1-OD2 3.36Å; T13-K20 HydrophobicContact CG2-CD 3.97Å; T13-F28 HydrophobicContact CG2-CZ 4Å; T13-K166 WeakPolarHBondContact O-CE 3.36Å; T13-K166 PolarHBondContact O-NZ 3.22Å
14Y97.8Very high97.1Very high3 Ų339 Ų391%0.01221%0.207CC..  trans-107.8157.2179.152.6-81.6000112.1N16 D17 K20 T154 V167 A170 L171 W184Y14-N16 VanDerWaalsContact C-N 3.31Å; Y14-N16 HydrophobicContact CD2-CB 4.48Å; Y14-N16 PolarHBondContact O-N 2.91Å; Y14-D17 HydrophobicContact CD1-CB 3.96Å; Y14-D17 HydrophobicContact CD2-CB 3.79Å; Y14-D17 VanDerWaalsContact CD2-N 3.34Å; Y14-D17 HydrophobicContact CE1-CB 3.7Å; Y14-D17 VanDerWaalsContact CE2-CA 3.42Å; Y14-D17 HydrophobicContact CE2-CB 3.57Å; Y14-D17 VanDerWaalsContact CE2-N 3.31Å; Y14-D17 HydrophobicContact CG-CB 3.99Å; Y14-D17 VanDerWaalsContact CZ-CB 3.49Å; Y14-D17 WeakPolarHBondContact O-CB 3.23Å; Y14-D17 PolarHBondContact O-N 2.91Å; Y14-D17 VanDerWaalsContact O-N 3.13Å; Y14-K20 PolarHBondContact O-NZ 2.84Å; Y14-T154 HydrophobicContact CD2-CG2 4.14Å; Y14-T154 WeakPolarHBondContact CD2-O 3.21Å; Y14-T154 HydrophobicContact CG-CG2 4.41Å; Y14-V167 HydrophobicContact CD1-CB 4.25Å; Y14-V167 HydrophobicContact CD1-CG1 3.91Å; Y14-V167 HydrophobicContact CD1-CG2 4.04Å; Y14-V167 HydrophobicContact CE1-CG1 4.08Å; Y14-V167 HydrophobicContact CG-CG1 4.47Å; Y14-V167 HydrophobicContact CG-CG2 4.19Å; Y14-A170 HydrophobicContact CE1-CB 4.44Å; Y14-L171 HydrophobicContact CE1-CD2 4.26Å; Y14-L171 HydrophobicContact CE1-CG 4.46Å; Y14-L171 WeakPolarHBondContact OH-CD2 3.11Å; Y14-W184 HydrophobicContact CE2-CZ2 4.14Å; Y14-W184 AromaticContact CZ-CZ2 3.97Å
15P98.2Very high96.8Very high78 Ų7841.8 Ų41.851%0.50623%0.227SC..THydrogen-bonded Turntrans-52.4-41.2-175-31.437.2000115.3K20 T154 I156P15-K20 PolarHBondContact O-NZ 2.72Å; P15-T154 VanDerWaalsContact CD-O 3.26Å; P15-T154 WeakPolarHBondContact CD-O 3.49Å; P15-I156 HydrophobicContact CG-CG1 4.41Å
16N98.4Very high96.7Very high90 Ų9048.5 Ų48.548%0.48126%0.263SS..THydrogen-bonded Turntrans-91.75.9-177.7-65.5-3000114.5Y14 T152 A153 T154 G155Y14-N16 VanDerWaalsContact C-N 3.31Å; Y14-N16 HydrophobicContact CD2-CB 4.48Å; Y14-N16 PolarHBondContact O-N 2.91Å; N16-T152 PolarHBondContact ND2-O 2.76Å; N16-T152 VanDerWaalsContact ND2-O 3.08Å; N16-A153 WeakPolarHBondContact CB-O 3.36Å; N16-A153 PolarHBondContact ND2-O 3Å; N16-T154 PolarHBondContact N-O 3Å; N16-G155 PolarHBondContact ND2-N 2.68Å
17D97.9Very high96.6Very high3 Ų349 Ų492%0.01627%0.268CS..  trans-66.1127176.7-176.110.4000110.9T13 Y14 Y19 K20 E174T13-D17 WeakPolarHBondContact CB-OD2 3.45Å; T13-D17 HydrophobicContact CG2-CB 3.86Å; T13-D17 WeakPolarHBondContact CG2-OD2 3.49Å; T13-D17 VanDerWaalsContact OG1-CB 3.23Å; T13-D17 WeakPolarHBondContact OG1-CB 3.25Å; T13-D17 PolarHBondContact OG1-OD2 3.36Å; Y14-D17 HydrophobicContact CD1-CB 3.96Å; Y14-D17 HydrophobicContact CD2-CB 3.79Å; Y14-D17 VanDerWaalsContact CD2-N 3.34Å; Y14-D17 HydrophobicContact CE1-CB 3.7Å; Y14-D17 VanDerWaalsContact CE2-CA 3.42Å; Y14-D17 HydrophobicContact CE2-CB 3.57Å; Y14-D17 VanDerWaalsContact CE2-N 3.31Å; Y14-D17 HydrophobicContact CG-CB 3.99Å; Y14-D17 VanDerWaalsContact CZ-CB 3.49Å; Y14-D17 WeakPolarHBondContact O-CB 3.23Å; Y14-D17 PolarHBondContact O-N 2.91Å; Y14-D17 VanDerWaalsContact O-N 3.13Å; D17-Y19 PolarHBondContact O-N 2.84Å; D17-Y19 PolarHBondContact OD1-N 2.97Å; D17-K20 WeakPolarHBondContact O-CE 3.37Å; D17-K20 PolarHBondContact O-NZ 2.75Å; D17-E174 VanDerWaalsContact OD2-OE1 3.14Å
18P96.9Very high96.7Very high81 Ų8149.4 Ų49.453%0.52627%0.269SS..SBendtrans-63.3-21.9171.726.2-36.3000113.7P182P18-P182 HydrophobicContact CG-CG 4.28Å
19Y97.3Very high96.7Very high45 Ų4555 Ų5518%0.17629%0.291CS..  trans-101.489-173.5-57.5-60.6000112.5D17 V23 E174 Y179 K180D17-Y19 PolarHBondContact O-N 2.84Å; D17-Y19 PolarHBondContact OD1-N 2.97Å; Y19-V23 HydrophobicContact CD1-CG2 4.12Å; Y19-V23 HydrophobicContact CG-CG2 4.4Å; Y19-E174 HydrophobicContact CD2-CB 4.43Å; Y19-E174 HydrophobicContact CD2-CG 3.85Å; Y19-E174 HydrophobicContact CG-CG 4.4Å; Y19-Y179 HydrophobicContact CD1-CD2 4.09Å; Y19-Y179 HydrophobicContact CD1-CG 4.29Å; Y19-Y179 HydrophobicContact CD2-CD2 4.34Å; Y19-Y179 HydrophobicContact CE1-CD2 4.41Å; Y19-Y179 HydrophobicContact CE1-CG 4.15Å; Y19-Y179 HydrophobicContact CE2-CG 4.42Å; Y19-Y179 HydrophobicContact CG-CD2 4.05Å; Y19-Y179 HydrophobicContact CG-CG 4.5Å; Y19-K180 WeakPolarHBondContact CE2-O 3.31Å; Y19-K180 PolarHBondContact OH-N 2.71Å; Y19-K180 VanDerWaalsContact OH-N 3.14Å; Y19-K180 PolarHBondContact OH-O 2.83Å; Y19-K180 VanDerWaalsContact OH-O 3.11Å
20K96.9Very high96.7Very high74 Ų7457 Ų5732%0.32230%0.3SS..  trans-83.9-171.7178.4-55.8-49.3-167.4-1570112.1T13 Y14 P15 D17 D22 V23T13-K20 HydrophobicContact CG2-CD 3.97Å; Y14-K20 PolarHBondContact O-NZ 2.84Å; P15-K20 PolarHBondContact O-NZ 2.72Å; D17-K20 WeakPolarHBondContact O-CE 3.37Å; D17-K20 PolarHBondContact O-NZ 2.75Å; K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 VanDerWaalsContact CB-OD1 3.32Å; K20-D22 WeakPolarHBondContact CB-OD1 3.39Å; K20-D22 PolarHBondContact O-N 2.57Å; K20-V23 VanDerWaalsContact O-CG2 3.26Å; K20-V23 WeakPolarHBondContact O-CG2 3.47Å; K20-V23 PolarHBondContact O-N 2.93Å
21E97.2Very high96.7Very high102 Ų10258.2 Ų58.248%0.47731%0.306SS..G310 helixtrans-63.3-32.3-171.6-170.9152.6-151.100113.5V23 W24 F28E21-V23 VanDerWaalsContact C-N 3.27Å; E21-V23 PolarHBondContact O-N 3.08Å; E21-W24 PolarHBondContact O-N 2.93Å; E21-W24 VanDerWaalsContact O-N 3.11Å; E21-F28 HydrophobicContact CB-CD2 3.72Å; E21-F28 HydrophobicContact CB-CE2 3.48Å; E21-F28 VanDerWaalsContact CB-CE2 3.48Å; E21-F28 HydrophobicContact CB-CG 4.37Å; E21-F28 HydrophobicContact CB-CZ 3.93Å; E21-F28 VanDerWaalsContact CD-CD2 3.46Å; E21-F28 HydrophobicContact CG-CD2 3.68Å; E21-F28 HydrophobicContact CG-CE2 4Å; E21-F28 HydrophobicContact CG-CG 4.02Å; E21-F28 PolarHBondContact OE1-N 3.42Å
22D96.7Very high96.8Very high137 Ų13755.3 Ų55.373%0.73329%0.291SS*.G310 helixtrans-63.9-26.2-178.160.3-47.6000113.9K20 W24K20-D22 VanDerWaalsContact C-N 3.26Å; K20-D22 VanDerWaalsContact CB-OD1 3.32Å; K20-D22 WeakPolarHBondContact CB-OD1 3.39Å; K20-D22 PolarHBondContact O-N 2.57Å; D22-W24 VanDerWaalsContact C-N 3.3Å
23V96.1Very high96.9Very high48 Ų4860 Ų6029%0.29132%0.319SS..G310 helixtrans-83-5.1176.2-51.80000113.3Y19 K20 E21 Y179Y19-V23 HydrophobicContact CD1-CG2 4.12Å; Y19-V23 HydrophobicContact CG-CG2 4.4Å; K20-V23 VanDerWaalsContact O-CG2 3.26Å; K20-V23 WeakPolarHBondContact O-CG2 3.47Å; K20-V23 PolarHBondContact O-N 2.93Å; E21-V23 VanDerWaalsContact C-N 3.27Å; E21-V23 PolarHBondContact O-N 3.08Å; V23-Y179 HydrophobicContact CG2-CE2 4Å; V23-Y179 PolarHBondContact O-OH 3.47Å
24W95.6Very high96.9Very high8 Ų864 Ų643%0.0334%0.34CS..SBendtrans-100.8128.4179.7-66.891.1000110.8S9 P10 E21 D22 N26 G27 F28 L32 R173 E174 M177 Y179S9-W24 VanDerWaalsContact CB-CE3 3.48Å; P10-W24 VanDerWaalsContact CD-CD2 3.4Å; P10-W24 VanDerWaalsContact CD-CZ2 3.41Å; P10-W24 HydrophobicContact CG-CD2 4.19Å; P10-W24 HydrophobicContact CG-CH2 3.84Å; P10-W24 HydrophobicContact CG-CZ2 3.39Å; P10-W24 HydrophobicContact CG-CZ3 4.36Å; E21-W24 PolarHBondContact O-N 2.93Å; E21-W24 VanDerWaalsContact O-N 3.11Å; D22-W24 VanDerWaalsContact C-N 3.3Å; W24-N26 PolarHBondContact O-N 2.91Å; W24-N26 VanDerWaalsContact O-N 3.14Å; W24-G27 PolarHBondContact O-N 3.15Å; W24-F28 AromaticContact CD1-CD1 3.85Å; W24-F28 AromaticContact CD1-CE1 3.37Å; W24-F28 HydrophobicContact CG-CD1 4.26Å; W24-F28 HydrophobicContact CG-CE1 4.2Å; W24-F28 AromaticContact NE1-CE1 3.62Å; W24-L32 HydrophobicContact CZ3-CD1 4.45Å; W24-R173 HydrophobicContact CH2-CB 3.83Å; W24-R173 HydrophobicContact CZ2-CB 4.48Å; W24-R173 HydrophobicContact CZ3-CB 4.43Å; W24-E174 HydrophobicContact CZ2-CG 3.95Å; W24-M177 HydrophobicContact CH2-CB 4.34Å; W24-M177 HydrophobicContact CH2-CG 3.8Å; W24-M177 HydrophobicContact CZ3-CB 4.42Å; W24-M177 HydrophobicContact CZ3-CG 3.49Å; W24-M177 VanDerWaalsContact CZ3-CG 3.49Å; W24-Y179 HydrophobicContact CH2-CD2 4.32Å; W24-Y179 HydrophobicContact CH2-CE2 4.08Å; W24-Y179 HydrophobicContact CZ2-CD2 4.06Å; W24-Y179 AromaticContact CZ2-CE2 3.84Å; W24-Y179 HydrophobicContact CZ2-CE2 3.84Å
25P92.4Very high96.8Very high69 Ų6963.9 Ų63.945%0.44834%0.34SS..THydrogen-bonded Turntrans-55.7122.5173.6-25.334.3000111G27P25-G27 PolarHBondContact O-N 2.78Å
26N95.1Very high96.9Very high146 Ų14662.4 Ų62.478%0.78133%0.33SS*.THydrogen-bonded Turntrans62.415.6-174-51.6-50000115.2W24 Q30W24-N26 PolarHBondContact O-N 2.91Å; W24-N26 VanDerWaalsContact O-N 3.14Å; N26-Q30 HydrophobicContact CB-CB 4.2Å; N26-Q30 HydrophobicContact CB-CG 3.91Å; N26-Q30 WeakPolarHBondContact O-CG 3.41Å
27G97Very high96.8Very high10 Ų1062.3 Ų62.310%0.10333%0.327CS..SBendtrans76.8-159.2178.600000114.2S9 W24 P25S9-G27 WeakPolarHBondContact CB-O 3.5Å; S9-G27 PolarHBondContact OG-O 3.37Å; W24-G27 PolarHBondContact O-N 3.15Å; P25-G27 PolarHBondContact O-N 2.78Å
28F97.5Very high96.8Very high28 Ų2864.1 Ų64.112%0.12334%0.336CS..THydrogen-bonded Turntrans-78.1157.3-174.4-69.2-43.7000113.2S9 P10 T13 E21 W24 Q30S9-F28 VanDerWaalsContact OG-C 3.26Å; S9-F28 WeakPolarHBondContact OG-CA 3.44Å; P10-F28 HydrophobicContact CB-CD1 4.1Å; P10-F28 HydrophobicContact CB-CE1 4.23Å; P10-F28 HydrophobicContact CG-CD1 4.47Å; P10-F28 HydrophobicContact CG-CE1 4.42Å; P10-F28 WeakPolarHBondContact O-CB 3.34Å; T13-F28 HydrophobicContact CG2-CZ 4Å; E21-F28 HydrophobicContact CB-CD2 3.72Å; E21-F28 HydrophobicContact CB-CE2 3.48Å; E21-F28 VanDerWaalsContact CB-CE2 3.48Å; E21-F28 HydrophobicContact CB-CG 4.37Å; E21-F28 HydrophobicContact CB-CZ 3.93Å; E21-F28 VanDerWaalsContact CD-CD2 3.46Å; E21-F28 HydrophobicContact CG-CD2 3.68Å; E21-F28 HydrophobicContact CG-CE2 4Å; E21-F28 HydrophobicContact CG-CG 4.02Å; E21-F28 PolarHBondContact OE1-N 3.42Å; W24-F28 AromaticContact CD1-CD1 3.85Å; W24-F28 AromaticContact CD1-CE1 3.37Å; W24-F28 HydrophobicContact CG-CD1 4.26Å; W24-F28 HydrophobicContact CG-CE1 4.2Å; W24-F28 AromaticContact NE1-CE1 3.62Å; F28-Q30 PolarHBondContact O-N 3Å
29R96.7Very high96.9Very high141 Ų14160.3 Ų60.353%0.53231%0.311SS..THydrogen-bonded Turntrans66.78.6174.1-54.1163.7-178.9169.26.6115.2S9 P10 L11 R72S9-R29 PolarHBondContact OG-N 3.49Å; P10-R29 PolarHBondContact O-N 3.21Å; L11-R29 HydrophobicContact CB-CG 4.39Å; L11-R29 HydrophobicContact CD2-CG 3.88Å; L11-R29 PolarHBondContact O-NE 3.27Å; L11-R29 PolarHBondContact O-NH2 2.85Å; L11-R29 VanDerWaalsContact O-NH2 3.12Å; R29-R72 WeakPolarHBondContact O-CD 3.46Å; R29-R72 PolarHBondContact O-NH1 3.49Å
30Q97.9Very high97Very high41 Ų4160.9 Ų60.919%0.19232%0.315CS..PPolyproline II helixtrans-91.7147.7-175.9-60.6-50.1-31.200112.6R8 S9 N26 F28 L32 D71R8-Q30 CarbonylContact C-O 3.59Å; R8-Q30 WeakPolarHBondContact CA-O 3.46Å; R8-Q30 WeakPolarHBondContact CB-O 3.49Å; S9-Q30 PolarHBondContact N-O 3.2Å; S9-Q30 PolarHBondContact OG-N 2.99Å; S9-Q30 PolarHBondContact OG-O 2.79Å; N26-Q30 HydrophobicContact CB-CB 4.2Å; N26-Q30 HydrophobicContact CB-CG 3.91Å; N26-Q30 WeakPolarHBondContact O-CG 3.41Å; F28-Q30 PolarHBondContact O-N 3Å; Q30-L32 PolarHBondContact O-N 3.28Å; Q30-D71 PolarHBondContact NE2-OD2 3.38Å; Q30-D71 PolarHBondContact OE1-OD2 3.38Å
31L98.1Very high97Very high26 Ų2660.6 Ų60.614%0.13632%0.315CS..BIsolated β-bridgetrans-66.3131.8176.2-167.873.9000109.5E7 C36 R72 A75 S76E7-L31 WeakPolarHBondContact O-CD1 3.43Å; L31-C36 HydrophobicContact CD2-CB 4.03Å; L31-R72 HydrophobicContact CB-CB 4.15Å; L31-A75 HydrophobicContact CB-CB 4.27Å; L31-A75 HydrophobicContact CD2-CB 3.73Å; L31-S76 VanDerWaalsContact CD1-OG 3.29Å; L31-S76 WeakPolarHBondContact CD1-OG 3.34Å
32L97Very high97Very high8 Ų855.8 Ų55.84%0.04229%0.292CS..PPolyproline II helixtrans-88.2159.8174.1-65.7174.4000110.3E7 W24 Q30 L34 G35 C36 M177E7-L32 HydrophobicContact CG-CD1 4.22Å; E7-L32 PolarHBondContact O-N 2.9Å; W24-L32 HydrophobicContact CZ3-CD1 4.45Å; Q30-L32 PolarHBondContact O-N 3.28Å; L32-L34 PolarHBondContact O-N 3.47Å; L32-G35 WeakPolarHBondContact O-CA 3.48Å; L32-G35 PolarHBondContact O-N 2.91Å; L32-C36 PolarHBondContact O-N 3.44Å; L32-C36 VanDerWaalsContact O-N 3.1Å; L32-M177 HydrophobicContact CD1-CG 4.48Å; L32-M177 HydrophobicContact CD1-SD 3.79Å
33P97.1Very high97.1Very high107 Ų10749.2 Ų49.270%0.69526%0.257SS*.Hα-helixtrans-52.1-42175.4-29.336.3000113.2G35 C36 Q37P33-G35 PolarHBondContact O-N 3.28Å; P33-C36 WeakPolarHBondContact O-CB 3.44Å; P33-C36 PolarHBondContact O-N 2.89Å; P33-C36 VanDerWaalsContact O-N 3.14Å; P33-Q37 PolarHBondContact O-N 3.43Å
34L96.3Very high97.2Very high100 Ų10054.6 Ų54.652%0.52427%0.272SS..Hα-helixtrans-56.7-38.9173.2177.658.3000112.3E7 L32 Q37 Q38E7-L34 HydrophobicContact CB-CB 4.4Å; E7-L34 HydrophobicContact CB-CD2 4.42Å; E7-L34 HydrophobicContact CB-CG 4.22Å; E7-L34 HydrophobicContact CG-CD2 4.17Å; E7-L34 HydrophobicContact CG-CG 4.46Å; L32-L34 PolarHBondContact O-N 3.47Å; L34-Q37 PolarHBondContact O-N 3.4Å; L34-Q38 HydrophobicContact CD1-CG 4.46Å; L34-Q38 VanDerWaalsContact O-CG 3.26Å; L34-Q38 WeakPolarHBondContact O-CG 3.41Å; L34-Q38 PolarHBondContact O-N 2.68Å
35G97.5Very high97.2Very high0 Ų056.4 Ų56.40%028%0.28CS..Hα-helixtrans-68.9-36.517800000113.2E7 L32 P33 Q39E7-G35 WeakPolarHBondContact O-CA 3.43Å; L32-G35 WeakPolarHBondContact O-CA 3.48Å; L32-G35 PolarHBondContact O-N 2.91Å; P33-G35 PolarHBondContact O-N 3.28Å; G35-Q39 WeakPolarHBondContact O-CG 3.44Å; G35-Q39 PolarHBondContact O-N 3.3Å; G35-Q39 VanDerWaalsContact O-N 3.16Å
36C98.4Very high97.5Very high46 Ų4653.1 Ų53.131%0.31126%0.259SS..Hα-helixtrans-64.8-44.3171.9-173.20000111L31 L32 P33 Q38 Q39 H40 C79L31-C36 HydrophobicContact CD2-CB 4.03Å; L32-C36 PolarHBondContact O-N 3.44Å; L32-C36 VanDerWaalsContact O-N 3.1Å; P33-C36 WeakPolarHBondContact O-CB 3.44Å; P33-C36 PolarHBondContact O-N 2.89Å; P33-C36 VanDerWaalsContact O-N 3.14Å; C36-Q38 PolarHBondContact O-N 3.14Å; C36-Q39 PolarHBondContact O-N 3.35Å; C36-H40 WeakPolarHBondContact O-CB 3.48Å; C36-H40 PolarHBondContact O-N 2.89Å; C36-C79 VanDerWaalsContact CA-SG 3.52Å; C36-C79 HydrophobicContact CB-CB 4.01Å; C36-C79 WeakPolarHBondContact CB-SG 3.29Å; C36-C79 WeakPolarHBondContact O-CB 3.29Å; C36-C79 WeakPolarHBondContact SG-CB 3.47Å; C36-C79 CovalentContact SG-SG 2.04Å; C36-C79 PolarHBondContact SG-SG 2.84Å
37Q98Very high97.6Very high88 Ų8848 Ų4841%0.41123%0.229SC..Hα-helixtrans-58.7-47.2176.4-179.160.230.200112P33 L34 Q39 H40 E41P33-Q37 PolarHBondContact O-N 3.43Å; L34-Q37 PolarHBondContact O-N 3.4Å; Q37-Q39 VanDerWaalsContact C-N 3.28Å; Q37-Q39 PolarHBondContact O-N 2.92Å; Q37-H40 PolarHBondContact O-N 2.78Å; Q37-E41 WeakPolarHBondContact CG-OE1 3.41Å; Q37-E41 PolarHBondContact NE2-OE1 2.88Å; Q37-E41 WeakPolarHBondContact O-CG 3.41Å; Q37-E41 PolarHBondContact O-N 2.98Å
38Q97.9Very high97.6Very high42 Ų4251.5 Ų51.520%0.19626%0.257CS..Hα-helixtrans-56.9-41175.7-73.1168.2-10.600112.5L34 C36 L42 A280L34-Q38 HydrophobicContact CD1-CG 4.46Å; L34-Q38 VanDerWaalsContact O-CG 3.26Å; L34-Q38 WeakPolarHBondContact O-CG 3.41Å; L34-Q38 PolarHBondContact O-N 2.68Å; C36-Q38 PolarHBondContact O-N 3.14Å; Q38-L42 PolarHBondContact O-N 3.38Å; Q38-A280 HydrophobicContact CB-CB 3.73Å
39Q98.5Very high97.5Very high0 Ų054.8 Ų54.80%027%0.268CS..Hα-helixtrans-71.9-40178.4-71.9-65.5-24.300112.2R4 H5 G6 G35 C36 Q37 E41 L42 G43 S76 C79 N80R4-Q39 PolarHBondContact O-NE2 2.97Å; H5-Q39 VanDerWaalsContact C-NE2 3.29Å; G6-Q39 VanDerWaalsContact N-NE2 3.12Å; G35-Q39 WeakPolarHBondContact O-CG 3.44Å; G35-Q39 PolarHBondContact O-N 3.3Å; G35-Q39 VanDerWaalsContact O-N 3.16Å; C36-Q39 PolarHBondContact O-N 3.35Å; Q37-Q39 VanDerWaalsContact C-N 3.28Å; Q37-Q39 PolarHBondContact O-N 2.92Å; Q39-E41 VanDerWaalsContact C-N 3.33Å; Q39-E41 PolarHBondContact O-N 3.43Å; Q39-L42 WeakPolarHBondContact O-CB 3.42Å; Q39-L42 PolarHBondContact O-N 3.27Å; Q39-G43 PolarHBondContact O-N 3.14Å; Q39-S76 WeakPolarHBondContact CB-O 3.39Å; Q39-C79 HydrophobicContact CB-CB 3.87Å; Q39-N80 HydrophobicContact CB-CB 4.25Å; Q39-N80 VanDerWaalsContact O-CA 3.3Å; Q39-N80 WeakPolarHBondContact O-CA 3.26Å; Q39-N80 PolarHBondContact O-ND2 3.36Å; Q39-N80 PolarHBondContact OE1-ND2 3.06Å
40H98.2Very high97.6Very high57 Ų5749.3 Ų49.326%0.26425%0.248SC..Hα-helixtrans-60.5-42.8174.3-179.5-100.6000111.6C36 Q37 G43 R44 C79 G83C36-H40 WeakPolarHBondContact O-CB 3.48Å; C36-H40 PolarHBondContact O-N 2.89Å; Q37-H40 PolarHBondContact O-N 2.78Å; H40-G43 WeakPolarHBondContact O-CA 3.42Å; H40-G43 PolarHBondContact O-N 3.22Å; H40-G43 VanDerWaalsContact O-N 3.15Å; H40-R44 PolarHBondContact O-N 2.83Å; H40-C79 VanDerWaalsContact CA-O 3.31Å; H40-C79 WeakPolarHBondContact CA-O 3.45Å; H40-G83 VanDerWaalsContact CD2-CA 3.41Å; H40-G83 WeakPolarHBondContact CD2-CA 3.31Å; H40-G83 PolarHBondContact CD2-N 3.01Å; H40-G83 VanDerWaalsContact CD2-N 3.28Å
41E97.6Very high97.4Very high69 Ų6949 Ų4932%0.32226%0.256SS..Hα-helixtrans-62.2-42.6173-73.8169-16800112.6Q37 Q39 G43 R44 F45Q37-E41 WeakPolarHBondContact CG-OE1 3.41Å; Q37-E41 PolarHBondContact NE2-OE1 2.88Å; Q37-E41 WeakPolarHBondContact O-CG 3.41Å; Q37-E41 PolarHBondContact O-N 2.98Å; Q39-E41 VanDerWaalsContact C-N 3.33Å; Q39-E41 PolarHBondContact O-N 3.43Å; E41-G43 VanDerWaalsContact C-N 3.29Å; E41-G43 PolarHBondContact O-N 3.37Å; E41-R44 PolarHBondContact O-N 3.42Å; E41-F45 WeakPolarHBondContact O-CB 3.5Å; E41-F45 PolarHBondContact O-N 3.48Å
42L98.1Very high97.3Very high0 Ų056.4 Ų56.40%030%0.296CS..Hα-helixtrans-60-41.8171.9177.263.1000110.9Y3 Q38 Q39 F45 L46 N80 C282Y3-L42 HydrophobicContact CD2-CD2 4.45Å; Y3-L42 HydrophobicContact CG-CD2 4.15Å; Q38-L42 PolarHBondContact O-N 3.38Å; Q39-L42 WeakPolarHBondContact O-CB 3.42Å; Q39-L42 PolarHBondContact O-N 3.27Å; L42-F45 HydrophobicContact CD1-CD1 4.1Å; L42-F45 WeakPolarHBondContact O-CB 3.41Å; L42-F45 PolarHBondContact O-N 3.38Å; L42-L46 HydrophobicContact CD1-CG 4.46Å; L42-L46 HydrophobicContact CG-CD1 4.24Å; L42-L46 VanDerWaalsContact O-CG 3.22Å; L42-L46 WeakPolarHBondContact O-CG 3.38Å; L42-L46 PolarHBondContact O-N 2.91Å; L42-N80 WeakPolarHBondContact CD2-ND2 3.47Å; L42-N80 WeakPolarHBondContact CG-ND2 3.19Å; L42-C282 HydrophobicContact CD1-CB 3.97Å; L42-C282 HydrophobicContact CD2-CB 4.07Å
43G98Very high97.4Very high0 Ų061 Ų610%032%0.315CS..Hα-helixtrans-57.4-48.1174.100000112.9Q39 H40 E41 F45 L46 R47 N80 G83 L84Q39-G43 PolarHBondContact O-N 3.14Å; H40-G43 WeakPolarHBondContact O-CA 3.42Å; H40-G43 PolarHBondContact O-N 3.22Å; H40-G43 VanDerWaalsContact O-N 3.15Å; E41-G43 VanDerWaalsContact C-N 3.29Å; E41-G43 PolarHBondContact O-N 3.37Å; G43-F45 VanDerWaalsContact C-N 3.33Å; G43-F45 PolarHBondContact O-N 3.25Å; G43-L46 WeakPolarHBondContact O-CB 3.26Å; G43-L46 PolarHBondContact O-N 3.45Å; G43-L46 VanDerWaalsContact O-N 3.15Å; G43-R47 PolarHBondContact O-N 3.49Å; G43-N80 VanDerWaalsContact CA-O 3.27Å; G43-N80 WeakPolarHBondContact CA-O 3.11Å; G43-N80 PolarHBondContact N-ND2 3.11Å; G43-G83 VanDerWaalsContact C-C 3.41Å; G43-G83 CarbonylContact C-O 3.51Å; G43-L84 WeakPolarHBondContact O-CA 3.5Å
44R97.3Very high97.4Very high161 Ų16156 Ų5661%0.60828%0.283SS*.Hα-helixtrans-61.8-40.7176.1-72-177.365.6-172.41112.1H40 E41 L46 R47 A48 G83H40-R44 PolarHBondContact O-N 2.83Å; E41-R44 PolarHBondContact O-N 3.42Å; R44-L46 VanDerWaalsContact C-N 3.33Å; R44-L46 PolarHBondContact O-N 3.25Å; R44-R47 WeakPolarHBondContact O-CB 3.15Å; R44-R47 PolarHBondContact O-N 2.91Å; R44-A48 PolarHBondContact O-N 2.91Å; R44-G83 PolarHBondContact N-O 3.3Å
45F97.5Very high97.4Very high46 Ų4653.4 Ų53.420%0.20227%0.273CS..Hα-helixtrans-58.8-45.7173.2163.7-93.7000111.4E41 L42 G43 R47 A48 R49 L284 P309E41-F45 WeakPolarHBondContact O-CB 3.5Å; E41-F45 PolarHBondContact O-N 3.48Å; L42-F45 HydrophobicContact CD1-CD1 4.1Å; L42-F45 WeakPolarHBondContact O-CB 3.41Å; L42-F45 PolarHBondContact O-N 3.38Å; G43-F45 VanDerWaalsContact C-N 3.33Å; G43-F45 PolarHBondContact O-N 3.25Å; F45-R47 VanDerWaalsContact C-N 3.34Å; F45-R47 PolarHBondContact O-N 3.38Å; F45-A48 PolarHBondContact O-N 3.48Å; F45-R49 HydrophobicContact CZ-CB 4.36Å; F45-R49 WeakPolarHBondContact O-CB 3.48Å; F45-R49 PolarHBondContact O-N 3.35Å; F45-L284 HydrophobicContact CE1-CD1 4.37Å; F45-P309 HydrophobicContact CE1-CG 4.21Å; F45-P309 HydrophobicContact CE2-CG 4.23Å; F45-P309 HydrophobicContact CZ-CG 3.46Å; F45-P309 VanDerWaalsContact CZ-CG 3.46Å
46L97.6Very high97.3Very high0 Ų059.3 Ų59.30%030%0.304CS..Hα-helixtrans-64.4-39.2178-64.3164.4000111.4M1 L42 G43 R44 A48 R49 Y50 L84 M254 L284M1-L46 HydrophobicContact CE-CD1 3.37Å; M1-L46 HydrophobicContact CE-CD2 3.83Å; M1-L46 HydrophobicContact CE-CG 4.23Å; M1-L46 HydrophobicContact SD-CD1 3.68Å; M1-L46 HydrophobicContact SD-CD2 3.84Å; M1-L46 HydrophobicContact SD-CG 4.4Å; L42-L46 HydrophobicContact CD1-CG 4.46Å; L42-L46 HydrophobicContact CG-CD1 4.24Å; L42-L46 VanDerWaalsContact O-CG 3.22Å; L42-L46 WeakPolarHBondContact O-CG 3.38Å; L42-L46 PolarHBondContact O-N 2.91Å; G43-L46 WeakPolarHBondContact O-CB 3.26Å; G43-L46 PolarHBondContact O-N 3.45Å; G43-L46 VanDerWaalsContact O-N 3.15Å; R44-L46 VanDerWaalsContact C-N 3.33Å; R44-L46 PolarHBondContact O-N 3.25Å; L46-A48 VanDerWaalsContact C-N 3.35Å; L46-A48 PolarHBondContact O-N 2.81Å; L46-R49 PolarHBondContact O-N 2.84Å; L46-Y50 HydrophobicContact CB-CD2 4.28Å; L46-Y50 HydrophobicContact CD2-CD2 4.22Å; L46-Y50 HydrophobicContact CD2-CE2 3.68Å; L46-Y50 WeakPolarHBondContact O-CB 3.39Å; L46-Y50 VanDerWaalsContact O-CD2 3.26Å; L46-Y50 WeakPolarHBondContact O-CD2 3.43Å; L46-Y50 PolarHBondContact O-N 3.28Å; L46-L84 HydrophobicContact CB-CD1 3.8Å; L46-M254 HydrophobicContact CD1-CE 4.16Å; L46-L284 HydrophobicContact CD2-CD2 4.03Å
47R97Very high97.2Very high37 Ų3761.9 Ų61.914%0.1431%0.307CS..Hα-helixtrans-58.4-46.9173.4176.44949.8-178.61.5111.4G43 R44 F45 G51 S55 L84 Y85G43-R47 PolarHBondContact O-N 3.49Å; R44-R47 WeakPolarHBondContact O-CB 3.15Å; R44-R47 PolarHBondContact O-N 2.91Å; F45-R47 VanDerWaalsContact C-N 3.34Å; F45-R47 PolarHBondContact O-N 3.38Å; R47-G51 WeakPolarHBondContact O-CA 3.46Å; R47-G51 PolarHBondContact O-N 3.29Å; R47-S55 PolarHBondContact NH1-O 3.36Å; R47-L84 HydrophobicContact CB-CD1 4.13Å; R47-L84 PolarHBondContact NE-O 3.23Å; R47-L84 PolarHBondContact NH2-O 2.87Å; R47-Y85 VanDerWaalsContact NH2-CZ 3.27Å
48A96.6Very high97.2Very high84 Ų8459.7 Ų59.769%0.69430%0.295SS*.Hα-helixtrans-64.4-46.3177.300000111.8R44 F45 L46 Y50R44-A48 PolarHBondContact O-N 2.91Å; F45-A48 PolarHBondContact O-N 3.48Å; L46-A48 VanDerWaalsContact C-N 3.35Å; L46-A48 PolarHBondContact O-N 2.81Å; A48-Y50 PolarHBondContact O-N 3.45Å
49R96.5Very high97.1Very high98 Ų9860.8 Ų60.837%0.3730%0.303SS..Hα-helixtrans-62.9-40.1-178.8-178.1176.8-177.887.3-6.3112.8F45 L46 E286F45-R49 HydrophobicContact CZ-CB 4.36Å; F45-R49 WeakPolarHBondContact O-CB 3.48Å; F45-R49 PolarHBondContact O-N 3.35Å; L46-R49 PolarHBondContact O-N 2.84Å; R49-E286 IonicContact CZ-OE1 3.69Å; R49-E286 IonicContact CZ-OE2 2.72Å; R49-E286 IonicContact NE-OE1 3.46Å; R49-E286 PolarHBondContact NE-OE1 2.9Å; R49-E286 IonicContact NE-OE2 3.79Å; R49-E286 IonicContact NH2-OE1 3.83Å; R49-E286 PolarHBondContact NH2-OE1 3.49Å; R49-E286 VanDerWaalsContact NH2-OE1 3.12Å; R49-E286 IonicContact NH2-OE2 2.77Å; R49-E286 PolarHBondContact NH2-OE2 3.31Å
50Y97.5Very high96.9Very high25 Ų2564.1 Ų64.110%0.09833%0.33CS..Hα-helixtrans-109.415.6-171.9-58.7-64.2000113.6L46 A48 N52 F53 L54 M252 E286L46-Y50 HydrophobicContact CB-CD2 4.28Å; L46-Y50 HydrophobicContact CD2-CD2 4.22Å; L46-Y50 HydrophobicContact CD2-CE2 3.68Å; L46-Y50 WeakPolarHBondContact O-CB 3.39Å; L46-Y50 VanDerWaalsContact O-CD2 3.26Å; L46-Y50 WeakPolarHBondContact O-CD2 3.43Å; L46-Y50 PolarHBondContact O-N 3.28Å; A48-Y50 PolarHBondContact O-N 3.45Å; Y50-N52 PolarHBondContact O-N 2.9Å; Y50-F53 HydrophobicContact CD1-CD1 4.41Å; Y50-F53 CarbonylContact O-C 3.59Å; Y50-F53 PolarHBondContact O-N 3.21Å; Y50-L54 PolarHBondContact O-N 3.3Å; Y50-M252 HydrophobicContact CD1-CE 4.46Å; Y50-M252 HydrophobicContact CD2-CE 3.37Å; Y50-M252 HydrophobicContact CE2-CE 3.53Å; Y50-M252 HydrophobicContact CG-CE 3.88Å; Y50-E286 WeakPolarHBondContact CE1-OE1 3.33Å; Y50-E286 VanDerWaalsContact CZ-OE1 3.23Å; Y50-E286 PolarHBondContact OH-OE1 2.92Å
51G95.6Very high96.8Very high35 Ų3564.1 Ų64.136%0.36134%0.337SS..THydrogen-bonded Turntrans-58.5-32.1-175.900000114.5R47R47-G51 WeakPolarHBondContact O-CA 3.46Å; R47-G51 PolarHBondContact O-N 3.29Å
52N96Very high96.7Very high182 Ų18261.2 Ų61.297%0.97332%0.323SS*.THydrogen-bonded Turntrans-86.8-6.1176.2-66-17.4000113.4Y50Y50-N52 PolarHBondContact O-N 2.9Å
53F97.5Very high96.7Very high103 Ų10361.6 Ų61.645%0.45233%0.325SS..THydrogen-bonded Turntrans-109-51.2-178179-115000111.6Y50 K251Y50-F53 HydrophobicContact CD1-CD1 4.41Å; Y50-F53 CarbonylContact O-C 3.59Å; Y50-F53 PolarHBondContact O-N 3.21Å; F53-K251 HydrophobicContact CD1-CB 4.4Å; F53-K251 HydrophobicContact CE1-CB 3.57Å; F53-K251 HydrophobicContact CE1-CD 4.38Å; F53-K251 HydrophobicContact CE1-CG 4.1Å; F53-K251 WeakPolarHBondContact CE1-O 3.27Å; F53-K251 HydrophobicContact CE2-CG 4.31Å; F53-K251 HydrophobicContact CZ-CB 3.69Å; F53-K251 HydrophobicContact CZ-CD 4.35Å; F53-K251 HydrophobicContact CZ-CG 3.83Å; F53-K251 VanDerWaalsContact O-CD 3.23Å; F53-K251 WeakPolarHBondContact O-CD 3.45Å; F53-K251 VanDerWaalsContact O-CE 3.25Å; F53-K251 WeakPolarHBondContact O-CE 3.43Å; F53-K251 PolarHBondContact O-NZ 2.95Å
54L97.7Very high96.6Very high3 Ų365.6 Ų65.62%0.01634%0.341CS..SBendtrans-82.8141.6174.6-65.2179000110.5Y50 I63 L84 K251 M252Y50-L54 PolarHBondContact O-N 3.3Å; L54-I63 HydrophobicContact CD2-CG2 3.91Å; L54-L84 HydrophobicContact CD1-CD1 4.11Å; L54-K251 HydrophobicContact CD2-CB 3.86Å; L54-K251 HydrophobicContact CD2-CD 4.08Å; L54-M252 HydrophobicContact CD1-CE 3.74Å; L54-M252 HydrophobicContact CD1-SD 4.24Å; L54-M252 HydrophobicContact CD2-CB 4.26Å; L54-M252 HydrophobicContact CG-CE 4.39Å
55S97.1Very high96.7Very high45 Ų4558 Ų5832%0.31531%0.312SS..  trans-60.4147173.5-70.80000111R47 R57 E62 Y85R47-S55 PolarHBondContact NH1-O 3.36Å; S55-R57 VanDerWaalsContact C-N 3.28Å; S55-R57 CarbonylContact C-O 3.59Å; S55-R57 WeakPolarHBondContact CB-O 3.42Å; S55-R57 PolarHBondContact O-N 3.15Å; S55-E62 WeakPolarHBondContact CB-OE1 3.22Å; S55-E62 WeakPolarHBondContact CB-OE2 3.46Å; S55-E62 PolarHBondContact N-OE2 3.45Å; S55-E62 PolarHBondContact OG-OE1 3.17Å; S55-Y85 WeakPolarHBondContact O-CE1 3.39Å
56L95.4Very high96.7Very high125 Ų12556.9 Ų56.965%0.65431%0.307SS*.SBendtrans-59.2-44.7174.3179.663000110.6T88L56-T88 HydrophobicContact CG-CG2 4.44Å
57R95.9Very high96.8Very high99 Ų9956.9 Ų56.937%0.37431%0.307SS..SBendtrans-80.6144.1174.1-64.2166.260.178.4-6.1110.2S55 N59 T88 D90S55-R57 VanDerWaalsContact C-N 3.28Å; S55-R57 CarbonylContact C-O 3.59Å; S55-R57 WeakPolarHBondContact CB-O 3.42Å; S55-R57 PolarHBondContact O-N 3.15Å; R57-N59 PolarHBondContact O-N 3.47Å; R57-T88 PolarHBondContact NH1-O 3.16Å; R57-D90 IonicContact CZ-OD1 2.7Å; R57-D90 IonicContact CZ-OD2 2.82Å; R57-D90 IonicContact NH1-OD1 2.62Å; R57-D90 PolarHBondContact NH1-OD1 2.84Å; R57-D90 IonicContact NH2-OD1 3.3Å; R57-D90 PolarHBondContact NH2-OD1 2.9Å; R57-D90 IonicContact NH2-OD2 3.34Å; R57-D90 PolarHBondContact NH2-OD2 2.96Å
58Y97.1Very high96.9Very high42 Ų4255.2 Ų55.217%0.16530%0.301CS..  trans-63130.5171.8167.9-107.1000110A60 I63 Y85 Q91 I102 P103Y58-A60 HydrophobicContact CE1-CB 4.21Å; Y58-A60 WeakPolarHBondContact OH-CA 3.47Å; Y58-A60 WeakPolarHBondContact OH-CB 3.45Å; Y58-I63 HydrophobicContact CD2-CD1 4.15Å; Y58-I63 HydrophobicContact CD2-CG1 4.2Å; Y58-I63 HydrophobicContact CE2-CD1 3.85Å; Y58-I63 HydrophobicContact CE2-CG1 3.7Å; Y58-Y85 HydrophobicContact CD2-CD2 4.4Å; Y58-Y85 HydrophobicContact CD2-CE2 4.46Å; Y58-Y85 HydrophobicContact CD2-CG 4.46Å; Y58-Q91 PolarHBondContact O-NE2 3.19Å; Y58-I102 HydrophobicContact CD1-CG1 4.26Å; Y58-I102 HydrophobicContact CD2-CD1 3.82Å; Y58-I102 HydrophobicContact CD2-CG1 3.88Å; Y58-I102 HydrophobicContact CD2-CG2 4.17Å; Y58-I102 HydrophobicContact CE1-CG1 4.41Å; Y58-I102 HydrophobicContact CE2-CB 4.41Å; Y58-I102 HydrophobicContact CE2-CD1 4.36Å; Y58-I102 HydrophobicContact CE2-CG1 4.05Å; Y58-I102 HydrophobicContact CE2-CG2 3.6Å; Y58-I102 HydrophobicContact CG-CD1 4.07Å; Y58-I102 HydrophobicContact CG-CG1 3.98Å; Y58-P103 WeakPolarHBondContact OH-CD 3.31Å
59N96.1Very high96.9Very high66 Ų6654.1 Ų54.135%0.35328%0.283SS..  trans-129.8117.9174.4-179.5-16.4000108.3R57 S61 E62R57-N59 PolarHBondContact O-N 3.47Å; N59-S61 VanDerWaalsContact CG-OG 3.28Å; N59-S61 PolarHBondContact ND2-OG 3.15Å; N59-S61 PolarHBondContact O-N 3.04Å; N59-S61 VanDerWaalsContact O-N 3.08Å; N59-S61 PolarHBondContact OD1-N 2.96Å; N59-S61 PolarHBondContact OD1-OG 2.86Å; N59-E62 HydrophobicContact CB-CB 4.42Å; N59-E62 HydrophobicContact CB-CG 3.88Å; N59-E62 PolarHBondContact O-N 3.23Å
60A95.3Very high97Very high69 Ų6950 Ų5057%0.5727%0.27SS*.THydrogen-bonded Turntrans-60.7-20.5-17700000113.9Y58Y58-A60 HydrophobicContact CE1-CB 4.21Å; Y58-A60 WeakPolarHBondContact OH-CA 3.47Å; Y58-A60 WeakPolarHBondContact OH-CB 3.45Å
61S95Very high97Very high58 Ų5853.4 Ų53.441%0.40629%0.289SS..THydrogen-bonded Turntrans-82.3-13.917566.40000113.7N59 P249 T250N59-S61 VanDerWaalsContact CG-OG 3.28Å; N59-S61 PolarHBondContact ND2-OG 3.15Å; N59-S61 PolarHBondContact O-N 3.04Å; N59-S61 VanDerWaalsContact O-N 3.08Å; N59-S61 PolarHBondContact OD1-N 2.96Å; N59-S61 PolarHBondContact OD1-OG 2.86Å; S61-P249 WeakPolarHBondContact O-CA 3.49Å; S61-T250 WeakPolarHBondContact O-CB 3.33Å; S61-T250 WeakPolarHBondContact O-CG2 3.3Å; S61-T250 PolarHBondContact O-N 3.34Å; S61-T250 PolarHBondContact O-OG1 2.96Å
62E96.2Very high97.1Very high8 Ų853 Ų534%0.03728%0.277CS..THydrogen-bonded Turntrans-86.8-38.7-177.1-69.1-170.3172.100113.3S55 N59 P249 T250 K251 M252S55-E62 WeakPolarHBondContact CB-OE1 3.22Å; S55-E62 WeakPolarHBondContact CB-OE2 3.46Å; S55-E62 PolarHBondContact N-OE2 3.45Å; S55-E62 PolarHBondContact OG-OE1 3.17Å; N59-E62 HydrophobicContact CB-CB 4.42Å; N59-E62 HydrophobicContact CB-CG 3.88Å; N59-E62 PolarHBondContact O-N 3.23Å; E62-P249 WeakPolarHBondContact O-CB 3.43Å; E62-T250 WeakPolarHBondContact CA-OG1 3.17Å; E62-K251 HydrophobicContact CB-CB 4.27Å; E62-K251 HydrophobicContact CB-CD 4.12Å; E62-K251 HydrophobicContact CB-CG 4.35Å; E62-K251 VanDerWaalsContact CD-NZ 3.29Å; E62-K251 HydrophobicContact CG-CD 3.81Å; E62-K251 HydrophobicContact CG-CG 4.29Å; E62-K251 CarbonylContact O-C 3.59Å; E62-K251 WeakPolarHBondContact O-CA 3.38Å; E62-K251 WeakPolarHBondContact O-CB 3.33Å; E62-K251 PolarHBondContact O-N 2.94Å; E62-K251 WeakPolarHBondContact OE1-CE 3.5Å; E62-K251 IonicContact OE1-NZ 3.03Å; E62-K251 PolarHBondContact OE1-NZ 2.84Å; E62-K251 IonicContact OE2-NZ 3.94Å; E62-M252 PolarHBondContact O-N 2.79Å
63I97.2Very high97.2Very high8 Ų844.3 Ų44.34%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-125.6147.3-171.270153.7000112.4L54 Y58 V65 L81 Y85 I102 M252L54-I63 HydrophobicContact CD2-CG2 3.91Å; Y58-I63 HydrophobicContact CD2-CD1 4.15Å; Y58-I63 HydrophobicContact CD2-CG1 4.2Å; Y58-I63 HydrophobicContact CE2-CD1 3.85Å; Y58-I63 HydrophobicContact CE2-CG1 3.7Å; I63-V65 HydrophobicContact CD1-CG2 4.07Å; I63-L81 HydrophobicContact CD1-CD2 4.01Å; I63-Y85 HydrophobicContact CD1-CD2 4.08Å; I63-Y85 HydrophobicContact CD1-CE2 3.54Å; I63-Y85 HydrophobicContact CG1-CE2 4.26Å; I63-Y85 HydrophobicContact CG2-CE2 4.16Å; I63-Y85 WeakPolarHBondContact CG2-OH 3.3Å; I63-I102 HydrophobicContact CD1-CG2 4.08Å; I63-M252 CarbonylContact C-O 3.57Å; I63-M252 VanDerWaalsContact CA-O 3.29Å; I63-M252 WeakPolarHBondContact CA-O 3.35Å; I63-M252 HydrophobicContact CG2-CB 3.97Å
64Y97.4Very high97.3Very high83 Ų8341.1 Ų41.133%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-130131.3168.3178.3-104000109.3R66 H105 M252 V253 M254Y64-R66 HydrophobicContact CD1-CB 4.4Å; Y64-R66 HydrophobicContact CE1-CB 3.83Å; Y64-H105 AromaticContact CD2-CD2 3.7Å; Y64-H105 HydrophobicContact CE2-CB 4.19Å; Y64-H105 AromaticContact CE2-CD2 3.15Å; Y64-H105 WeakPolarHBondContact CE2-CD2 3.4Å; Y64-H105 AromaticContact CE2-CG 3.71Å; Y64-H105 AromaticContact CE2-NE2 3.69Å; Y64-H105 AromaticContact CZ-CD2 3.83Å; Y64-H105 WeakPolarHBondContact OH-CB 3.42Å; Y64-M252 PolarHBondContact N-O 3.26Å; Y64-V253 HydrophobicContact CD1-CG1 4.17Å; Y64-V253 WeakPolarHBondContact O-CA 3.41Å; Y64-M254 PolarHBondContact O-N 2.73Å
65V98.6Very high97.3Very high2 Ų242.7 Ų42.71%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-116.4124.4-177.6-167.90000109.9I63 A77 L81 V104 H105 M254I63-V65 HydrophobicContact CD1-CG2 4.07Å; V65-A77 HydrophobicContact CG1-CB 4.29Å; V65-L81 HydrophobicContact CB-CD1 4.5Å; V65-L81 HydrophobicContact CG1-CD1 4.27Å; V65-L81 HydrophobicContact CG2-CD1 4.09Å; V65-L81 HydrophobicContact CG2-CD2 3.84Å; V65-L81 HydrophobicContact CG2-CG 4.48Å; V65-V104 HydrophobicContact CB-CG2 4.41Å; V65-V104 HydrophobicContact CG1-CG1 4.23Å; V65-V104 HydrophobicContact CG1-CG2 4.03Å; V65-H105 PolarHBondContact O-CD2 3.35Å; V65-H105 PolarHBondContact O-N 2.92Å; V65-M254 HydrophobicContact CG1-CB 4.16Å; V65-M254 HydrophobicContact CG2-CB 4.29Å; V65-M254 HydrophobicContact CG2-CG 4.5Å; V65-M254 HydrophobicContact CG2-SD 3.93Å
66R98.2Very high97.4Very high22 Ų2240.5 Ų40.58%0.08322%0.216CC..EExtended strand (participates in β ladder)trans-121.9130.6-179.6-179.969.6-1721714.5109.4Y64 H105 T106 L114 L115 M254 Y255 S256Y64-R66 HydrophobicContact CD1-CB 4.4Å; Y64-R66 HydrophobicContact CE1-CB 3.83Å; R66-H105 CarbonylContact C-O 3.6Å; R66-H105 WeakPolarHBondContact CA-O 3.26Å; R66-T106 VanDerWaalsContact CZ-C 3.46Å; R66-T106 PolarHBondContact NH1-O 3.46Å; R66-L114 HydrophobicContact CG-CD2 4.37Å; R66-L115 HydrophobicContact CG-CD1 3.81Å; R66-M254 PolarHBondContact N-O 3.37Å; R66-Y255 HydrophobicContact CB-CD1 3.66Å; R66-Y255 HydrophobicContact CB-CE1 3.94Å; R66-Y255 HydrophobicContact CG-CD1 3.87Å; R66-Y255 HydrophobicContact CG-CE1 4.09Å; R66-Y255 CarbonylContact O-C 3.59Å; R66-Y255 VanDerWaalsContact O-CA 3.26Å; R66-Y255 WeakPolarHBondContact O-CA 3.46Å; R66-S256 PolarHBondContact O-N 3.04Å
67S98.7Very high97.6Very high0 Ų034.6 Ų34.60%019%0.185CC..EExtended strand (participates in β ladder)trans-126.2150.2176.2179.80000110.3T73 L74 H105 T106 S256S67-T73 VanDerWaalsContact OG-C 3.22Å; S67-T73 VanDerWaalsContact OG-CB 3.31Å; S67-T73 WeakPolarHBondContact OG-CB 3.43Å; S67-T73 PolarHBondContact OG-O 3.46Å; S67-T73 PolarHBondContact OG-OG1 3.4Å; S67-L74 PolarHBondContact OG-N 3.42Å; S67-H105 PolarHBondContact N-O 3.46Å; S67-T106 WeakPolarHBondContact O-CB 3.07Å; S67-T106 PolarHBondContact O-OG1 3.28Å; S67-S256 WeakPolarHBondContact CA-O 2.99Å
68T98.4Very high97.7Very high3 Ų334 Ų342%0.01818%0.184CC..  trans-62.9151.6159.259.10000109.6S70 T73 D112 L115 S256 H258T68-S70 PolarHBondContact O-N 2.91Å; T68-T73 PolarHBondContact O-OG1 3.46Å; T68-T73 WeakPolarHBondContact OG1-CG2 3.18Å; T68-T73 PolarHBondContact OG1-OG1 2.99Å; T68-D112 WeakPolarHBondContact CA-OD2 3.07Å; T68-D112 WeakPolarHBondContact CG2-OD2 3.38Å; T68-L115 HydrophobicContact CG2-CB 3.37Å; T68-L115 HydrophobicContact CG2-CD1 4.22Å; T68-L115 HydrophobicContact CG2-CG 4.46Å; T68-S256 PolarHBondContact N-O 3.33Å; T68-S256 VanDerWaalsContact N-O 3.17Å; T68-H258 PolarHBondContact OG1-CE1 3.4Å; T68-H258 PolarHBondContact OG1-NE2 3.32Å
69D97.8Very high97.8Very high60 Ų6032.8 Ų32.832%0.32118%0.181SC..SBendtrans-78.772.4178.4-172.226.1000110.3T106 V107 I109D69-T106 WeakPolarHBondContact CA-OG1 3.3Å; D69-T106 HydrophobicContact CB-CG2 4.15Å; D69-T106 WeakPolarHBondContact CB-OG1 3.43Å; D69-T106 PolarHBondContact N-OG1 3.41Å; D69-V107 VanDerWaalsContact CB-O 3.32Å; D69-V107 WeakPolarHBondContact CB-O 3.47Å; D69-I109 HydrophobicContact CB-CG1 3.9Å; D69-I109 WeakPolarHBondContact O-CD1 3.41Å; D69-I109 WeakPolarHBondContact O-CG1 3.5Å
70S97.5Very high97.9Very high13 Ų1329.7 Ų29.79%0.09116%0.164CC..SBendtrans-139.1139.5167.375.50000109.5T68 R72 T73 L74 H258T68-S70 PolarHBondContact O-N 2.91Å; S70-R72 PolarHBondContact O-N 3.24Å; S70-R72 VanDerWaalsContact O-N 3.11Å; S70-T73 PolarHBondContact N-OG1 3Å; S70-T73 PolarHBondContact O-N 3.49Å; S70-T73 PolarHBondContact O-OG1 2.04Å; S70-T73 WeakPolarHBondContact OG-CG2 3.24Å; S70-T73 PolarHBondContact OG-OG1 3.28Å; S70-L74 PolarHBondContact O-N 2.95Å; S70-H258 PolarHBondContact OG-CE1 3.47Å
71D98Very high98.1Very high95 Ų9526.5 Ų26.551%0.50814%0.138SC..Hα-helixtrans-49.3-46.9-174.5-52.7-18.4000111.8Q30 T73 L74 A75Q30-D71 PolarHBondContact NE2-OD2 3.38Å; Q30-D71 PolarHBondContact OE1-OD2 3.38Å; D71-T73 PolarHBondContact O-N 2.78Å; D71-L74 PolarHBondContact O-N 2.92Å; D71-A75 VanDerWaalsContact O-CB 3.24Å; D71-A75 WeakPolarHBondContact O-CB 3.47Å; D71-A75 PolarHBondContact O-N 3.24Å
72R98Very high98.2Very high27 Ų2724.7 Ų24.710%0.10213%0.126CC..Hα-helixtrans-64.1-32.1179.170.6-177.5174-70.1-9.9115.1H5 R8 R29 L31 S70 S76 H258H5-R72 HydrophobicContact CB-CG 4.46Å; H5-R72 PolarHBondContact CD2-NE 3.03Å; H5-R72 PolarHBondContact NE2-NE 3.09Å; H5-R72 VanDerWaalsContact NE2-NE 3.17Å; R8-R72 VanDerWaalsContact CD-CD 3.5Å; R29-R72 WeakPolarHBondContact O-CD 3.46Å; R29-R72 PolarHBondContact O-NH1 3.49Å; L31-R72 HydrophobicContact CB-CB 4.15Å; S70-R72 PolarHBondContact O-N 3.24Å; S70-R72 VanDerWaalsContact O-N 3.11Å; R72-S76 WeakPolarHBondContact O-CB 3.12Å; R72-S76 PolarHBondContact O-N 3.08Å; R72-S76 PolarHBondContact O-OG 3.07Å; R72-H258 PolarHBondContact NH2-CE1 3.3Å; R72-H258 PolarHBondContact NH2-ND1 3.06Å
73T98.6Very high98.3Very high0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-81.2-37.1-179.744.10000110.8H5 S67 T68 S70 D71 A77 S256 A257 H258H5-T73 HydrophobicContact CB-CG2 3.94Å; S67-T73 VanDerWaalsContact OG-C 3.22Å; S67-T73 VanDerWaalsContact OG-CB 3.31Å; S67-T73 WeakPolarHBondContact OG-CB 3.43Å; S67-T73 PolarHBondContact OG-O 3.46Å; S67-T73 PolarHBondContact OG-OG1 3.4Å; T68-T73 PolarHBondContact O-OG1 3.46Å; T68-T73 WeakPolarHBondContact OG1-CG2 3.18Å; T68-T73 PolarHBondContact OG1-OG1 2.99Å; S70-T73 PolarHBondContact N-OG1 3Å; S70-T73 PolarHBondContact O-N 3.49Å; S70-T73 PolarHBondContact O-OG1 2.04Å; S70-T73 WeakPolarHBondContact OG-CG2 3.24Å; S70-T73 PolarHBondContact OG-OG1 3.28Å; D71-T73 PolarHBondContact O-N 2.78Å; T73-A77 WeakPolarHBondContact O-CB 3.47Å; T73-A77 PolarHBondContact O-N 3.01Å; T73-S256 PolarHBondContact O-OG 2.9Å; T73-A257 WeakPolarHBondContact CG2-O 3.43Å; T73-H258 VanDerWaalsContact CG2-CE1 3.47Å; T73-H258 WeakPolarHBondContact CG2-CE1 3.42Å
74L98.7Very high98.3Very high35 Ų3524 Ų2418%0.18312%0.123CC..Hα-helixtrans-63.4-52.7171.6-70167.6000110.7S67 S70 D71 S76 A77 Y78 V104 T106S67-L74 PolarHBondContact OG-N 3.42Å; S70-L74 PolarHBondContact O-N 2.95Å; D71-L74 PolarHBondContact O-N 2.92Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.38Å; L74-A77 WeakPolarHBondContact O-CB 3.39Å; L74-A77 PolarHBondContact O-N 3.36Å; L74-Y78 WeakPolarHBondContact O-CD2 3.49Å; L74-Y78 PolarHBondContact O-N 2.86Å; L74-Y78 VanDerWaalsContact O-N 3.08Å; L74-V104 HydrophobicContact CD2-CG1 3.83Å; L74-T106 HydrophobicContact CD2-CG2 4.48Å
75A98.5Very high98.3Very high36 Ų3620.1 Ų20.130%0.29811%0.108SC..Hα-helixtrans-59-41.7176.400000112L31 D71 A77 Y78 C79L31-A75 HydrophobicContact CB-CB 4.27Å; L31-A75 HydrophobicContact CD2-CB 3.73Å; D71-A75 VanDerWaalsContact O-CB 3.24Å; D71-A75 WeakPolarHBondContact O-CB 3.47Å; D71-A75 PolarHBondContact O-N 3.24Å; A75-A77 VanDerWaalsContact C-N 3.3Å; A75-A77 PolarHBondContact O-N 2.83Å; A75-Y78 PolarHBondContact O-N 3.1Å; A75-C79 PolarHBondContact O-N 2.85Å; A75-C79 PolarHBondContact O-SG 2.9Å
76S98.9Very high98.2Very high0 Ų021.8 Ų21.80%012%0.119CC..Hα-helixtrans-58.4-42.6174.2-72.50000112.2H5 G6 L31 Q39 R72 L74 C79 N80H5-S76 WeakPolarHBondContact CA-OG 3.24Å; H5-S76 VanDerWaalsContact CB-OG 3.3Å; H5-S76 WeakPolarHBondContact CB-OG 3.25Å; G6-S76 PolarHBondContact N-OG 2.99Å; L31-S76 VanDerWaalsContact CD1-OG 3.29Å; L31-S76 WeakPolarHBondContact CD1-OG 3.34Å; Q39-S76 WeakPolarHBondContact CB-O 3.39Å; R72-S76 WeakPolarHBondContact O-CB 3.12Å; R72-S76 PolarHBondContact O-N 3.08Å; R72-S76 PolarHBondContact O-OG 3.07Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3.38Å; S76-C79 PolarHBondContact O-N 2.77Å; S76-N80 WeakPolarHBondContact O-CB 3.49Å; S76-N80 PolarHBondContact O-N 2.86Å
77A98.9Very high98.2Very high0 Ų020.7 Ų20.70%012%0.115CC..Hα-helixtrans-63.5-42.8178.700000111.3Y3 V65 T73 L74 A75 N80 L81 V104Y3-A77 WeakPolarHBondContact OH-CA 3.24Å; V65-A77 HydrophobicContact CG1-CB 4.29Å; T73-A77 WeakPolarHBondContact O-CB 3.47Å; T73-A77 PolarHBondContact O-N 3.01Å; L74-A77 WeakPolarHBondContact O-CB 3.39Å; L74-A77 PolarHBondContact O-N 3.36Å; A75-A77 VanDerWaalsContact C-N 3.3Å; A75-A77 PolarHBondContact O-N 2.83Å; A77-N80 WeakPolarHBondContact O-CB 3.35Å; A77-N80 PolarHBondContact O-N 2.97Å; A77-L81 WeakPolarHBondContact O-CB 3.36Å; A77-L81 WeakPolarHBondContact O-CD1 3.42Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 3.44Å; A77-V104 HydrophobicContact CB-CG1 3.86Å; A77-V104 HydrophobicContact CB-CG2 3.82Å
78Y98.7Very high98Very high87 Ų8722.2 Ų22.234%0.34112%0.124SC..Hα-helixtrans-65.4-42.1176.3-68.9-63000113L74 A75 N80 L81 A82 W99 I102 V104L74-Y78 WeakPolarHBondContact O-CD2 3.49Å; L74-Y78 PolarHBondContact O-N 2.86Å; L74-Y78 VanDerWaalsContact O-N 3.08Å; A75-Y78 PolarHBondContact O-N 3.1Å; Y78-N80 VanDerWaalsContact C-N 3.32Å; Y78-N80 PolarHBondContact O-N 2.86Å; Y78-L81 PolarHBondContact O-N 2.77Å; Y78-A82 PolarHBondContact O-N 2.96Å; Y78-W99 HydrophobicContact CD1-CZ2 4.43Å; Y78-I102 WeakPolarHBondContact CE1-O 3.16Å; Y78-V104 HydrophobicContact CD1-CG2 3.87Å; Y78-V104 HydrophobicContact CE1-CB 4.09Å; Y78-V104 HydrophobicContact CE1-CG2 3.54Å; Y78-V104 HydrophobicContact CE2-CB 4.36Å; Y78-V104 HydrophobicContact CE2-CG2 4.29Å; Y78-V104 HydrophobicContact CG-CG2 4.37Å
79C98.7Very high97.8Very high17 Ų1724.7 Ų24.712%0.11515%0.15CC..Hα-helixtrans-62.5-40.3174.2-62.90000111.7C36 Q39 H40 A75 S76 A82 G83C36-C79 VanDerWaalsContact CA-SG 3.52Å; C36-C79 HydrophobicContact CB-CB 4.01Å; C36-C79 WeakPolarHBondContact CB-SG 3.29Å; C36-C79 WeakPolarHBondContact O-CB 3.29Å; C36-C79 WeakPolarHBondContact SG-CB 3.47Å; C36-C79 CovalentContact SG-SG 2.04Å; C36-C79 PolarHBondContact SG-SG 2.84Å; Q39-C79 HydrophobicContact CB-CB 3.87Å; H40-C79 VanDerWaalsContact CA-O 3.31Å; H40-C79 WeakPolarHBondContact CA-O 3.45Å; A75-C79 PolarHBondContact O-N 2.85Å; A75-C79 PolarHBondContact O-SG 2.9Å; S76-C79 PolarHBondContact O-N 2.77Å; C79-A82 WeakPolarHBondContact O-CB 3.37Å; C79-A82 PolarHBondContact O-N 2.57Å; C79-G83 PolarHBondContact O-N 2.97Å
80N98.7Very high97.7Very high0 Ų027.8 Ų27.80%017%0.167CC..Hα-helixtrans-62.3-45.7174.6-170.6-81.3000112Q39 L42 G43 S76 A77 Y78 A82 G83 L84 M254Q39-N80 HydrophobicContact CB-CB 4.25Å; Q39-N80 VanDerWaalsContact O-CA 3.3Å; Q39-N80 WeakPolarHBondContact O-CA 3.26Å; Q39-N80 PolarHBondContact O-ND2 3.36Å; Q39-N80 PolarHBondContact OE1-ND2 3.06Å; L42-N80 WeakPolarHBondContact CD2-ND2 3.47Å; L42-N80 WeakPolarHBondContact CG-ND2 3.19Å; G43-N80 VanDerWaalsContact CA-O 3.27Å; G43-N80 WeakPolarHBondContact CA-O 3.11Å; G43-N80 PolarHBondContact N-ND2 3.11Å; S76-N80 WeakPolarHBondContact O-CB 3.49Å; S76-N80 PolarHBondContact O-N 2.86Å; A77-N80 WeakPolarHBondContact O-CB 3.35Å; A77-N80 PolarHBondContact O-N 2.97Å; Y78-N80 VanDerWaalsContact C-N 3.32Å; Y78-N80 PolarHBondContact O-N 2.86Å; N80-A82 VanDerWaalsContact C-N 3.31Å; N80-A82 PolarHBondContact O-N 2.8Å; N80-G83 PolarHBondContact O-N 2.97Å; N80-G83 VanDerWaalsContact O-N 3.14Å; N80-L84 PolarHBondContact O-N 2.83Å; N80-M254 WeakPolarHBondContact OD1-CE 3.44Å
81L98.7Very high97.7Very high3 Ų328.8 Ų28.82%0.01617%0.17CC..Hα-helixtrans-66.3-32.4179.1-70.5163.6000112.7I63 V65 A77 Y78 G83 L84 Y85 I102 V104 M254I63-L81 HydrophobicContact CD1-CD2 4.01Å; V65-L81 HydrophobicContact CB-CD1 4.5Å; V65-L81 HydrophobicContact CG1-CD1 4.27Å; V65-L81 HydrophobicContact CG2-CD1 4.09Å; V65-L81 HydrophobicContact CG2-CD2 3.84Å; V65-L81 HydrophobicContact CG2-CG 4.48Å; A77-L81 WeakPolarHBondContact O-CB 3.36Å; A77-L81 WeakPolarHBondContact O-CD1 3.42Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 3.44Å; Y78-L81 PolarHBondContact O-N 2.77Å; L81-G83 VanDerWaalsContact C-N 3.28Å; L81-G83 PolarHBondContact O-N 2.88Å; L81-L84 HydrophobicContact CD2-CD2 4.47Å; L81-L84 PolarHBondContact O-N 2.94Å; L81-Y85 PolarHBondContact O-N 3.12Å; L81-I102 HydrophobicContact CB-CD1 4.33Å; L81-I102 HydrophobicContact CD1-CB 4.04Å; L81-I102 HydrophobicContact CD1-CG2 3.9Å; L81-I102 HydrophobicContact CD2-CB 4.49Å; L81-I102 HydrophobicContact CD2-CD1 4.39Å; L81-I102 HydrophobicContact CD2-CG2 3.97Å; L81-I102 HydrophobicContact CG-CG2 4.44Å; L81-V104 HydrophobicContact CD1-CG2 3.56Å; L81-M254 HydrophobicContact CD2-CE 4.41Å; L81-M254 HydrophobicContact CD2-SD 4.11Å
82A98.2Very high97.6Very high19 Ų1927.5 Ų27.516%0.15716%0.163CC..Hα-helixtrans-59.7-40.3172.200000111.8Y78 C79 N80Y78-A82 PolarHBondContact O-N 2.96Å; C79-A82 WeakPolarHBondContact O-CB 3.37Å; C79-A82 PolarHBondContact O-N 2.57Å; N80-A82 VanDerWaalsContact C-N 3.31Å; N80-A82 PolarHBondContact O-N 2.8Å
83G97.8Very high97.5Very high2 Ų233 Ų332%0.02118%0.184CC..Hα-helixtrans-77.2-32.317600000113.4H40 G43 R44 C79 N80 L81H40-G83 VanDerWaalsContact CD2-CA 3.41Å; H40-G83 WeakPolarHBondContact CD2-CA 3.31Å; H40-G83 PolarHBondContact CD2-N 3.01Å; H40-G83 VanDerWaalsContact CD2-N 3.28Å; G43-G83 VanDerWaalsContact C-C 3.41Å; G43-G83 CarbonylContact C-O 3.51Å; R44-G83 PolarHBondContact N-O 3.3Å; C79-G83 PolarHBondContact O-N 2.97Å; N80-G83 PolarHBondContact O-N 2.97Å; N80-G83 VanDerWaalsContact O-N 3.14Å; L81-G83 VanDerWaalsContact C-N 3.28Å; L81-G83 PolarHBondContact O-N 2.88Å
84L98Very high97.4Very high0 Ų035 Ų350%019%0.194CC..Hα-helixtrans-76.6-43.6179.4179.458.5000111.9G43 L46 R47 L54 N80 L81 P86 M254G43-L84 WeakPolarHBondContact O-CA 3.5Å; L46-L84 HydrophobicContact CB-CD1 3.8Å; R47-L84 HydrophobicContact CB-CD1 4.13Å; R47-L84 PolarHBondContact NE-O 3.23Å; R47-L84 PolarHBondContact NH2-O 2.87Å; L54-L84 HydrophobicContact CD1-CD1 4.11Å; N80-L84 PolarHBondContact O-N 2.83Å; L81-L84 HydrophobicContact CD2-CD2 4.47Å; L81-L84 PolarHBondContact O-N 2.94Å; L84-P86 VanDerWaalsContact C-CD 3.49Å; L84-M254 HydrophobicContact CD2-CE 3.79Å; L84-M254 HydrophobicContact CD2-SD 3.79Å
85Y97.8Very high97.2Very high1 Ų139.3 Ų39.30%0.00422%0.224CC..  trans-128.570.8-177.4-75.7-81.6000111.5R47 S55 Y58 I63 L81 Q100 I102R47-Y85 VanDerWaalsContact NH2-CZ 3.27Å; S55-Y85 WeakPolarHBondContact O-CE1 3.39Å; Y58-Y85 HydrophobicContact CD2-CD2 4.4Å; Y58-Y85 HydrophobicContact CD2-CE2 4.46Å; Y58-Y85 HydrophobicContact CD2-CG 4.46Å; I63-Y85 HydrophobicContact CD1-CD2 4.08Å; I63-Y85 HydrophobicContact CD1-CE2 3.54Å; I63-Y85 HydrophobicContact CG1-CE2 4.26Å; I63-Y85 HydrophobicContact CG2-CE2 4.16Å; I63-Y85 WeakPolarHBondContact CG2-OH 3.3Å; L81-Y85 PolarHBondContact O-N 3.12Å; Y85-Q100 PolarHBondContact O-NE2 3.14Å; Y85-I102 VanDerWaalsContact CB-CD1 3.42Å; Y85-I102 HydrophobicContact CD2-CD1 3.88Å; Y85-I102 HydrophobicContact CG-CD1 3.89Å
86P96.2Very high97.1Very high37 Ų3745.2 Ų45.224%0.2425%0.25CC..  trans-55.2137.3164-17.729.9000109.7L84 Y98L84-P86 VanDerWaalsContact C-CD 3.49Å; P86-Y98 HydrophobicContact CB-CD1 4.06Å; P86-Y98 HydrophobicContact CB-CE1 3.46Å; P86-Y98 VanDerWaalsContact CB-CE1 3.46Å
87P96.8Very high96.9Very high0 Ų048.5 Ų48.50%027%0.266CS..  trans-62.9141-178.825.9-33000111.3Q91 I92 Y98 Q100P87-Q91 HydrophobicContact CB-CB 4.36Å; P87-Q91 WeakPolarHBondContact CB-O 3.36Å; P87-I92 HydrophobicContact CB-CB 4.49Å; P87-I92 HydrophobicContact CB-CG1 3.85Å; P87-I92 HydrophobicContact CG-CG1 4.24Å; P87-Y98 HydrophobicContact CG-CD2 3.77Å; P87-Y98 HydrophobicContact CG-CE2 4.05Å; P87-Y98 HydrophobicContact CG-CG 4.26Å; P87-Y98 VanDerWaalsContact O-CE2 3.27Å; P87-Y98 WeakPolarHBondContact O-CE2 3.41Å; P87-Y98 PolarHBondContact O-OH 2.86Å; P87-Q100 HydrophobicContact CB-CB 4.25Å; P87-Q100 HydrophobicContact CB-CG 4.48Å
88T94.6Very high96.6Very high32 Ų3255.6 Ų55.620%0.19629%0.294CS..  trans-135.4141.9179.456.90000111.2L56 R57 D90 Q91L56-T88 HydrophobicContact CG-CG2 4.44Å; R57-T88 PolarHBondContact NH1-O 3.16Å; T88-D90 PolarHBondContact O-N 3.1Å; T88-Q91 WeakPolarHBondContact O-CB 3.33Å; T88-Q91 PolarHBondContact O-N 2.8Å; T88-Q91 VanDerWaalsContact O-N 3.11Å
89G95Very high96.4Very high55 Ų5555.6 Ų55.657%0.56729%0.294SS*.G310 helixtrans57.6-133.2-178.800000112.2Q91 I92G89-Q91 PolarHBondContact O-N 3.5Å; G89-Q91 VanDerWaalsContact O-N 3.11Å; G89-I92 WeakPolarHBondContact O-CB 3.34Å; G89-I92 WeakPolarHBondContact O-CG1 3.29Å; G89-I92 PolarHBondContact O-N 2.98Å
90D95.4Very high96.3Very high125 Ų12555.4 Ų55.467%0.66829%0.291SS*.G310 helixtrans-62-9.2175.966.9-3.1000115.1R57 T88R57-D90 IonicContact CZ-OD1 2.7Å; R57-D90 IonicContact CZ-OD2 2.82Å; R57-D90 IonicContact NH1-OD1 2.62Å; R57-D90 PolarHBondContact NH1-OD1 2.84Å; R57-D90 IonicContact NH2-OD1 3.3Å; R57-D90 PolarHBondContact NH2-OD1 2.9Å; R57-D90 IonicContact NH2-OD2 3.34Å; R57-D90 PolarHBondContact NH2-OD2 2.96Å; T88-D90 PolarHBondContact O-N 3.1Å
91Q96.7Very high96.2Very high34 Ų3459.4 Ų59.416%0.15932%0.317CS..G310 helixtrans-79.1-10.9172.2-62.3-170.1-48.900111.8Y58 P87 T88 G89 W93Y58-Q91 PolarHBondContact O-NE2 3.19Å; P87-Q91 HydrophobicContact CB-CB 4.36Å; P87-Q91 WeakPolarHBondContact CB-O 3.36Å; T88-Q91 WeakPolarHBondContact O-CB 3.33Å; T88-Q91 PolarHBondContact O-N 2.8Å; T88-Q91 VanDerWaalsContact O-N 3.11Å; G89-Q91 PolarHBondContact O-N 3.5Å; G89-Q91 VanDerWaalsContact O-N 3.11Å; Q91-W93 PolarHBondContact O-N 3.42Å; Q91-W93 VanDerWaalsContact O-N 3.11Å
92I97Very high96.2Very high68 Ų6859.4 Ų59.435%0.34932%0.317SS..  trans-77.691.6169.8-57.2171000107.7P87 G89 N94 Y98P87-I92 HydrophobicContact CB-CB 4.49Å; P87-I92 HydrophobicContact CB-CG1 3.85Å; P87-I92 HydrophobicContact CG-CG1 4.24Å; G89-I92 WeakPolarHBondContact O-CB 3.34Å; G89-I92 WeakPolarHBondContact O-CG1 3.29Å; G89-I92 PolarHBondContact O-N 2.98Å; I92-N94 VanDerWaalsContact C-N 3.35Å; I92-Y98 HydrophobicContact CD1-CE2 4.34Å
93W96.1Very high96.2Very high143 Ų14361.6 Ų61.654%0.54233%0.33SS..SBendtrans-78.9-20.3178.767.3-85.4000112.9Q91 I97 W99Q91-W93 PolarHBondContact O-N 3.42Å; Q91-W93 VanDerWaalsContact O-N 3.11Å; W93-I97 HydrophobicContact CH2-CD1 3.56Å; W93-I97 HydrophobicContact CZ2-CB 4.05Å; W93-I97 HydrophobicContact CZ2-CD1 3.87Å; W93-I97 HydrophobicContact CZ2-CG2 3.81Å; W93-I97 HydrophobicContact CZ3-CD1 4.47Å; W93-W99 PolarHBondContact NE1-O 2.75Å
94N96Very high96.2Very high42 Ų4262.3 Ų62.323%0.22533%0.334CS..  trans-145.6125.9176.4-178.8-37.5000110I92 L96 I97I92-N94 VanDerWaalsContact C-N 3.35Å; N94-L96 PolarHBondContact O-N 3.01Å; N94-L96 WeakPolarHBondContact OD1-CB 3.3Å; N94-L96 PolarHBondContact OD1-N 3.49Å; N94-I97 HydrophobicContact CB-CB 4.13Å; N94-I97 HydrophobicContact CB-CD1 4.41Å; N94-I97 HydrophobicContact CB-CG1 4.39Å; N94-I97 PolarHBondContact O-N 2.96Å; N94-I97 PolarHBondContact OD1-N 3.07Å
95P94.7Very high96.2Very high124 Ų12466.3 Ų66.381%0.80535%0.352SS*.THydrogen-bonded Turntrans-68.5-17.2-175.528.7-35.9000114.1
96L96.4Very high96.2Very high160 Ų16068.6 Ų68.684%0.83837%0.367SS*.THydrogen-bonded Turntrans-97-11.7178.4-57.1179.7000112.9N94N94-L96 PolarHBondContact O-N 3.01Å; N94-L96 WeakPolarHBondContact OD1-CB 3.3Å; N94-L96 PolarHBondContact OD1-N 3.49Å
97I94.2Very high96.3Very high69 Ų6969 Ų6935%0.35437%0.368SS..  trans-117.696.1-177.4-57.8173.8000108.8W93 N94 W99W93-I97 HydrophobicContact CH2-CD1 3.56Å; W93-I97 HydrophobicContact CZ2-CB 4.05Å; W93-I97 HydrophobicContact CZ2-CD1 3.87Å; W93-I97 HydrophobicContact CZ2-CG2 3.81Å; W93-I97 HydrophobicContact CZ3-CD1 4.47Å; N94-I97 HydrophobicContact CB-CB 4.13Å; N94-I97 HydrophobicContact CB-CD1 4.41Å; N94-I97 HydrophobicContact CB-CG1 4.39Å; N94-I97 PolarHBondContact O-N 2.96Å; N94-I97 PolarHBondContact OD1-N 3.07Å; I97-W99 HydrophobicContact CG2-CB 4.06Å; I97-W99 PolarHBondContact O-N 2.67Å
98Y92Very high96.3Very high149 Ų14972.3 Ų72.358%0.58439%0.389SS*.  trans-82.951.6179.9-151.6-123.1000112.4P86 P87 I92P86-Y98 HydrophobicContact CB-CD1 4.06Å; P86-Y98 HydrophobicContact CB-CE1 3.46Å; P86-Y98 VanDerWaalsContact CB-CE1 3.46Å; P87-Y98 HydrophobicContact CG-CD2 3.77Å; P87-Y98 HydrophobicContact CG-CE2 4.05Å; P87-Y98 HydrophobicContact CG-CG 4.26Å; P87-Y98 VanDerWaalsContact O-CE2 3.27Å; P87-Y98 WeakPolarHBondContact O-CE2 3.41Å; P87-Y98 PolarHBondContact O-OH 2.86Å; I92-Y98 HydrophobicContact CD1-CE2 4.34Å
99W96.1Very high96.3Very high87 Ų8774.3 Ų74.333%0.3340%0.398SS..  trans-144146.8179.2172.989.2000109Y78 W93 I97 P101Y78-W99 HydrophobicContact CD1-CZ2 4.43Å; W93-W99 PolarHBondContact NE1-O 2.75Å; I97-W99 HydrophobicContact CG2-CB 4.06Å; I97-W99 PolarHBondContact O-N 2.67Å; W99-P101 VanDerWaalsContact CH2-CA 3.44Å; W99-P101 HydrophobicContact CH2-CB 3.69Å; W99-P101 HydrophobicContact CZ2-CB 4.4Å; W99-P101 HydrophobicContact CZ3-CB 4.05Å; W99-P101 HydrophobicContact CZ3-CG 4.47Å
100Q96.5Very high96.2Very high14 Ų1480.2 Ų80.27%0.06541%0.408CS..  trans-128.2147173.661.2-178-51.700110.9Y85 P87 I102Y85-Q100 PolarHBondContact O-NE2 3.14Å; P87-Q100 HydrophobicContact CB-CB 4.25Å; P87-Q100 HydrophobicContact CB-CG 4.48Å; Q100-I102 HydrophobicContact CG-CD1 4.16Å; Q100-I102 HydrophobicContact CG-CG1 4.15Å; Q100-I102 PolarHBondContact O-N 2.87Å; Q100-I102 VanDerWaalsContact O-N 3.15Å
101P95.9Very high96.2Very high83 Ų8380 Ų8054%0.53940%0.404SS..  trans-68.8112.3176.927.9-33.5000110.4W99W99-P101 VanDerWaalsContact CH2-CA 3.44Å; W99-P101 HydrophobicContact CH2-CB 3.69Å; W99-P101 HydrophobicContact CZ2-CB 4.4Å; W99-P101 HydrophobicContact CZ3-CB 4.05Å; W99-P101 HydrophobicContact CZ3-CG 4.47Å
102I98.1Very high96.2Very high4 Ų478.6 Ų78.62%0.02140%0.397CS..  trans-113.3125.2170.4-65168.8000108.4Y58 I63 Y78 L81 Y85 Q100 V104Y58-I102 HydrophobicContact CD1-CG1 4.26Å; Y58-I102 HydrophobicContact CD2-CD1 3.82Å; Y58-I102 HydrophobicContact CD2-CG1 3.88Å; Y58-I102 HydrophobicContact CD2-CG2 4.17Å; Y58-I102 HydrophobicContact CE1-CG1 4.41Å; Y58-I102 HydrophobicContact CE2-CB 4.41Å; Y58-I102 HydrophobicContact CE2-CD1 4.36Å; Y58-I102 HydrophobicContact CE2-CG1 4.05Å; Y58-I102 HydrophobicContact CE2-CG2 3.6Å; Y58-I102 HydrophobicContact CG-CD1 4.07Å; Y58-I102 HydrophobicContact CG-CG1 3.98Å; I63-I102 HydrophobicContact CD1-CG2 4.08Å; Y78-I102 WeakPolarHBondContact CE1-O 3.16Å; L81-I102 HydrophobicContact CB-CD1 4.33Å; L81-I102 HydrophobicContact CD1-CB 4.04Å; L81-I102 HydrophobicContact CD1-CG2 3.9Å; L81-I102 HydrophobicContact CD2-CB 4.49Å; L81-I102 HydrophobicContact CD2-CD1 4.39Å; L81-I102 HydrophobicContact CD2-CG2 3.97Å; L81-I102 HydrophobicContact CG-CG2 4.44Å; Y85-I102 VanDerWaalsContact CB-CD1 3.42Å; Y85-I102 HydrophobicContact CD2-CD1 3.88Å; Y85-I102 HydrophobicContact CG-CD1 3.89Å; Q100-I102 HydrophobicContact CG-CD1 4.16Å; Q100-I102 HydrophobicContact CG-CG1 4.15Å; Q100-I102 PolarHBondContact O-N 2.87Å; Q100-I102 VanDerWaalsContact O-N 3.15Å; I102-V104 PolarHBondContact O-N 3.41Å
103P98.1Very high96.1Very high65 Ų6577 Ų7742%0.42239%0.388SS..  trans-59.2129.5-176.1-26.335.3000113.5Y58Y58-P103 WeakPolarHBondContact OH-CD 3.31Å
104V98.6Very high96.1Very high17 Ų1772.1 Ų72.110%0.10337%0.372CS..  trans-113.7118.5168.1179.30000108.1V65 L74 A77 Y78 L81 I102V65-V104 HydrophobicContact CB-CG2 4.41Å; V65-V104 HydrophobicContact CG1-CG1 4.23Å; V65-V104 HydrophobicContact CG1-CG2 4.03Å; L74-V104 HydrophobicContact CD2-CG1 3.83Å; A77-V104 HydrophobicContact CB-CG1 3.86Å; A77-V104 HydrophobicContact CB-CG2 3.82Å; Y78-V104 HydrophobicContact CD1-CG2 3.87Å; Y78-V104 HydrophobicContact CE1-CB 4.09Å; Y78-V104 HydrophobicContact CE1-CG2 3.54Å; Y78-V104 HydrophobicContact CE2-CB 4.36Å; Y78-V104 HydrophobicContact CE2-CG2 4.29Å; Y78-V104 HydrophobicContact CG-CG2 4.37Å; L81-V104 HydrophobicContact CD1-CG2 3.56Å; I102-V104 PolarHBondContact O-N 3.41Å
105H98.3Very high96.2Very high83 Ų8370.1 Ų70.138%0.38436%0.361SS..BIsolated β-bridgetrans-94.4144.7-177.2-59.1-81.6000111.6Y64 V65 R66 S67Y64-H105 AromaticContact CD2-CD2 3.7Å; Y64-H105 HydrophobicContact CE2-CB 4.19Å; Y64-H105 AromaticContact CE2-CD2 3.15Å; Y64-H105 WeakPolarHBondContact CE2-CD2 3.4Å; Y64-H105 AromaticContact CE2-CG 3.71Å; Y64-H105 AromaticContact CE2-NE2 3.69Å; Y64-H105 AromaticContact CZ-CD2 3.83Å; Y64-H105 WeakPolarHBondContact OH-CB 3.42Å; V65-H105 PolarHBondContact O-CD2 3.35Å; V65-H105 PolarHBondContact O-N 2.92Å; R66-H105 CarbonylContact C-O 3.6Å; R66-H105 WeakPolarHBondContact CA-O 3.26Å; S67-H105 PolarHBondContact N-O 3.46Å
106T98.3Very high96.2Very high50 Ų5066 Ų6631%0.30733%0.331SS..  trans-141.2171.7174.2-159.30000112R66 S67 D69 L74R66-T106 VanDerWaalsContact CZ-C 3.46Å; R66-T106 PolarHBondContact NH1-O 3.46Å; S67-T106 WeakPolarHBondContact O-CB 3.07Å; S67-T106 PolarHBondContact O-OG1 3.28Å; D69-T106 WeakPolarHBondContact CA-OG1 3.3Å; D69-T106 HydrophobicContact CB-CG2 4.15Å; D69-T106 WeakPolarHBondContact CB-OG1 3.43Å; D69-T106 PolarHBondContact N-OG1 3.41Å; L74-T106 HydrophobicContact CD2-CG2 4.48Å
107V97.8Very high96.1Very high46 Ų4659 Ų5928%0.27929%0.294SS..  trans-135.4158.4168.4-65.90000107.1D69 I109 E111 D112D69-V107 VanDerWaalsContact CB-O 3.32Å; D69-V107 WeakPolarHBondContact CB-O 3.47Å; V107-I109 PolarHBondContact O-N 2.94Å; V107-E111 HydrophobicContact CG2-CB 4.28Å; V107-D112 HydrophobicContact CG2-CB 3.7Å
108P97.3Very high95.9Very high68 Ų6863 Ų6344%0.44231%0.309SS..  trans-49.8140.2176.6-28.836.7000112.6K110 E111 D112P108-K110 PolarHBondContact O-N 2.92Å; P108-E111 WeakPolarHBondContact O-CA 3.47Å; P108-E111 PolarHBondContact O-N 3.21Å; P108-D112 PolarHBondContact O-N 3.1Å
109I93.7Very high95.9Very high75 Ų7557.1 Ų57.139%0.38529%0.288SS..G310 helixtrans-50-39-174.2-61.9176.4000113.1D69 V107 E111 D112 K116 L119D69-I109 HydrophobicContact CB-CG1 3.9Å; D69-I109 WeakPolarHBondContact O-CD1 3.41Å; D69-I109 WeakPolarHBondContact O-CG1 3.5Å; V107-I109 PolarHBondContact O-N 2.94Å; I109-E111 PolarHBondContact O-N 2.9Å; I109-D112 PolarHBondContact O-N 3.28Å; I109-K116 HydrophobicContact CG2-CD 4.29Å; I109-K116 HydrophobicContact CG2-CG 4.41Å; I109-L119 WeakPolarHBondContact O-CD2 3.39Å
110K93.3Very high95.7Very high179 Ų17962 Ų6278%0.77831%0.314SS*.G310 helixtrans-71.4-18.4-178.1-66.5-176.6179.1179.80113.5P108P108-K110 PolarHBondContact O-N 2.92Å
111E94.3Very high95.6Very high121 Ų12161.6 Ų61.657%0.56531%0.313SS*.G310 helixtrans-104.2-5-179.7-63.9173.6-151.700112.2V107 P108 I109 F113V107-E111 HydrophobicContact CG2-CB 4.28Å; P108-E111 WeakPolarHBondContact O-CA 3.47Å; P108-E111 PolarHBondContact O-N 3.21Å; I109-E111 PolarHBondContact O-N 2.9Å; E111-F113 WeakPolarHBondContact O-CD2 3.43Å; E111-F113 PolarHBondContact O-N 3.35Å
112D96.8Very high95.5Very high3 Ų365.1 Ų65.12%0.01632%0.315CS..  trans-81.464.3-178.4-165.6-4.5000112.4T68 V107 P108 I109 L114 L115 K116T68-D112 WeakPolarHBondContact CA-OD2 3.07Å; T68-D112 WeakPolarHBondContact CG2-OD2 3.38Å; V107-D112 HydrophobicContact CG2-CB 3.7Å; P108-D112 PolarHBondContact O-N 3.1Å; I109-D112 PolarHBondContact O-N 3.28Å; D112-L114 PolarHBondContact O-N 3.11Å; D112-L114 VanDerWaalsContact O-N 3.13Å; D112-L114 PolarHBondContact OD1-N 3.41Å; D112-L115 PolarHBondContact OD1-N 3.04Å; D112-K116 HydrophobicContact CB-CB 4.21Å; D112-K116 WeakPolarHBondContact O-CB 3.41Å; D112-K116 PolarHBondContact O-N 3.35Å; D112-K116 VanDerWaalsContact O-N 3.1Å
113F95.5Very high95.4Very high36 Ų3665.5 Ų65.516%0.15832%0.319CS..THydrogen-bonded Turntrans-66.9-7.3175.3-55.6-78.8000113.5E111 L119 L228 V339 R342E111-F113 WeakPolarHBondContact O-CD2 3.43Å; E111-F113 PolarHBondContact O-N 3.35Å; F113-L119 HydrophobicContact CB-CD1 4.28Å; F113-L119 HydrophobicContact CD1-CD1 3.36Å; F113-L119 HydrophobicContact CE1-CD1 3.82Å; F113-L119 HydrophobicContact CG-CD1 3.95Å; F113-L228 HydrophobicContact CB-CD1 3.46Å; F113-L228 VanDerWaalsContact CB-CD1 3.46Å; F113-L228 WeakPolarHBondContact O-CD1 3.31Å; F113-V339 HydrophobicContact CB-CG2 4.22Å; F113-V339 HydrophobicContact CD1-CG1 4.41Å; F113-V339 HydrophobicContact CD2-CB 4.35Å; F113-V339 HydrophobicContact CD2-CG1 3.51Å; F113-V339 HydrophobicContact CD2-CG2 3.83Å; F113-V339 HydrophobicContact CE2-CG1 3.63Å; F113-V339 HydrophobicContact CG-CG1 3.95Å; F113-V339 HydrophobicContact CG-CG2 4.25Å; F113-V339 HydrophobicContact CZ-CG1 4.14Å; F113-R342 VanDerWaalsContact CD1-NH1 3.35Å
114L96.5Very high95.3Very high39 Ų3963.8 Ų63.820%0.20431%0.305CS..THydrogen-bonded Turntrans-88.7-46.5-177.9-172.272.8000111.8R66 D112 L228 L229 Y255R66-L114 HydrophobicContact CG-CD2 4.37Å; D112-L114 PolarHBondContact O-N 3.11Å; D112-L114 VanDerWaalsContact O-N 3.13Å; D112-L114 PolarHBondContact OD1-N 3.41Å; L114-L228 HydrophobicContact CD1-CB 4.45Å; L114-L229 HydrophobicContact CD1-CB 4.29Å; L114-L229 HydrophobicContact CD1-CD1 4.13Å; L114-L229 HydrophobicContact CG-CD1 4.14Å; L114-Y255 HydrophobicContact CD2-CD1 4.34Å; L114-Y255 HydrophobicContact CD2-CE1 3.73Å
115L98Very high95.1Very high0 Ų066.5 Ų66.50%032%0.321CS..THydrogen-bonded Turntrans-116.2-13.5-171.5-60.3-178.9000114L2 R66 T68 D112 L229 Y255 T261L2-L115 HydrophobicContact CD1-CD2 4.31Å; R66-L115 HydrophobicContact CG-CD1 3.81Å; T68-L115 HydrophobicContact CG2-CB 3.37Å; T68-L115 HydrophobicContact CG2-CD1 4.22Å; T68-L115 HydrophobicContact CG2-CG 4.46Å; D112-L115 PolarHBondContact OD1-N 3.04Å; L115-L229 HydrophobicContact CD2-CD1 3.88Å; L115-L229 HydrophobicContact CD2-CD2 4.14Å; L115-Y255 HydrophobicContact CD1-CD1 4.11Å; L115-Y255 HydrophobicContact CD2-CD1 3.76Å; L115-Y255 HydrophobicContact CD2-CG 3.94Å; L115-Y255 HydrophobicContact CG-CD1 4.36Å; L115-T261 HydrophobicContact CD2-CG2 4.48Å; L115-T261 WeakPolarHBondContact O-CG2 3.24Å; L115-T261 PolarHBondContact O-OG1 3.08Å
116K95.5Very high95Very high39 Ų3965.7 Ų65.717%0.1732%0.32CS..  trans-93.1129.7-177.6-16566.3172.8-1670113I109 D112 L119I109-K116 HydrophobicContact CG2-CD 4.29Å; I109-K116 HydrophobicContact CG2-CG 4.41Å; D112-K116 HydrophobicContact CB-CB 4.21Å; D112-K116 WeakPolarHBondContact O-CB 3.41Å; D112-K116 PolarHBondContact O-N 3.35Å; D112-K116 VanDerWaalsContact O-N 3.1Å; K116-L119 HydrophobicContact CB-CD1 4.3Å; K116-L119 HydrophobicContact CB-CD2 4.47Å; K116-L119 HydrophobicContact CB-CG 4.11Å; K116-L119 HydrophobicContact CG-CD2 4.16Å; K116-L119 HydrophobicContact CG-CG 4.1Å
117T94Very high94.9Very high11 Ų1164.5 Ų64.57%0.06731%0.313CS..SBendtrans-104.18-175.765.20000115.8K124 F216 D225T117-K124 PolarHBondContact O-NZ 3.17Å; T117-F216 HydrophobicContact CG2-CE1 4.41Å; T117-D225 WeakPolarHBondContact CA-OD1 3.37Å; T117-D225 HydrophobicContact CG2-CB 3.81Å
118K88.9Confident94.8Very high155 Ų15563.4 Ų63.467%0.67431%0.308SS*.  trans-12324.8-178.3-63.6-173-179.1-178.90112.7
119L92.3Very high94.7Very high25 Ų2565.8 Ų65.813%0.13131%0.313CS..SBendtrans-76.3148172.1-62.3178.5000109.5I109 F113 K116 C121I109-L119 WeakPolarHBondContact O-CD2 3.39Å; F113-L119 HydrophobicContact CB-CD1 4.28Å; F113-L119 HydrophobicContact CD1-CD1 3.36Å; F113-L119 HydrophobicContact CE1-CD1 3.82Å; F113-L119 HydrophobicContact CG-CD1 3.95Å; K116-L119 HydrophobicContact CB-CD1 4.3Å; K116-L119 HydrophobicContact CB-CD2 4.47Å; K116-L119 HydrophobicContact CB-CG 4.11Å; K116-L119 HydrophobicContact CG-CD2 4.16Å; K116-L119 HydrophobicContact CG-CG 4.1Å; L119-C121 PolarHBondContact O-N 2.68Å
120E91.6Very high94.8Very high188 Ų18870.4 Ų70.488%0.87933%0.331SS*.  trans-56.9135.2178.1-66.5-179.917500110.9
121C94.5Very high95Very high6 Ų665.2 Ų65.24%0.04131%0.309CS..  trans-162.199.3179-171.70000109L119 A123 K124 T125 F224 C346L119-C121 PolarHBondContact O-N 2.68Å; C121-A123 VanDerWaalsContact C-N 3.34Å; C121-A123 PolarHBondContact O-N 2.83Å; C121-K124 HydrophobicContact CB-CB 3.82Å; C121-K124 WeakPolarHBondContact O-CB 3.37Å; C121-K124 PolarHBondContact O-N 3.33Å; C121-K124 VanDerWaalsContact O-N 3.13Å; C121-T125 PolarHBondContact O-N 2.99Å; C121-T125 VanDerWaalsContact O-N 3.08Å; C121-T125 PolarHBondContact O-OG1 2.85Å; C121-F224 WeakPolarHBondContact SG-CD1 3.28Å; C121-F224 VanDerWaalsContact SG-CG 3.55Å; C121-C346 HydrophobicContact CB-CB 3.89Å; C121-C346 WeakPolarHBondContact CB-SG 3.26Å; C121-C346 WeakPolarHBondContact SG-CA 3.16Å; C121-C346 WeakPolarHBondContact SG-CB 3.21Å; C121-C346 CovalentContact SG-SG 2.05Å; C121-C346 PolarHBondContact SG-SG 2.81Å
122R94.9Very high95.1Very high158 Ų15859.9 Ų59.960%0.59629%0.285SS*.Hα-helixtrans-58.5-44.9-175.7-178178.5176.8178.1-1111.9K124 T125 L126 C346R122-K124 VanDerWaalsContact C-N 3.28Å; R122-K124 PolarHBondContact O-N 3.39Å; R122-T125 WeakPolarHBondContact O-CB 3.48Å; R122-T125 PolarHBondContact O-N 3.4Å; R122-T125 VanDerWaalsContact O-N 3.13Å; R122-L126 HydrophobicContact CG-CD1 4.08Å; R122-L126 HydrophobicContact CG-CG 4.37Å; R122-L126 WeakPolarHBondContact O-CG 3.2Å; R122-L126 PolarHBondContact O-N 3.42Å; R122-C346 PolarHBondContact N-O 2.96Å
123A95.5Very high95.1Very high12 Ų1262.9 Ų62.910%0.09931%0.306CS..Hα-helixtrans-58.3-39.5177.800000112.5C121 T127 F224 A345 C346C121-A123 VanDerWaalsContact C-N 3.34Å; C121-A123 PolarHBondContact O-N 2.83Å; A123-T127 WeakPolarHBondContact O-CB 3.32Å; A123-T127 PolarHBondContact O-N 2.97Å; A123-T127 PolarHBondContact O-OG1 2.94Å; A123-F224 HydrophobicContact CB-CE1 4.1Å; A123-F224 HydrophobicContact CB-CE2 4.1Å; A123-F224 HydrophobicContact CB-CZ 3.53Å; A123-A345 WeakPolarHBondContact CB-O 3.48Å; A123-C346 PolarHBondContact N-O 3.49Å
124K95.5Very high95.2Very high28 Ų2868 Ų6812%0.12233%0.33CS..Hα-helixtrans-65.5-44175.4-172.4-172.3-179.1-174.80111.6T117 C121 R122 T127 A128 F224 D225T117-K124 PolarHBondContact O-NZ 3.17Å; C121-K124 HydrophobicContact CB-CB 3.82Å; C121-K124 WeakPolarHBondContact O-CB 3.37Å; C121-K124 PolarHBondContact O-N 3.33Å; C121-K124 VanDerWaalsContact O-N 3.13Å; R122-K124 VanDerWaalsContact C-N 3.28Å; R122-K124 PolarHBondContact O-N 3.39Å; K124-T127 PolarHBondContact O-N 2.9Å; K124-A128 WeakPolarHBondContact O-CB 3.33Å; K124-A128 PolarHBondContact O-N 3.48Å; K124-F224 HydrophobicContact CB-CB 4.25Å; K124-F224 HydrophobicContact CB-CD2 3.62Å; K124-F224 HydrophobicContact CB-CE2 4.22Å; K124-F224 HydrophobicContact CB-CG 4.09Å; K124-F224 HydrophobicContact CD-CB 4.22Å; K124-F224 HydrophobicContact CG-CB 4.42Å; K124-F224 HydrophobicContact CG-CD2 4.06Å; K124-D225 WeakPolarHBondContact CE-OD2 3.37Å; K124-D225 IonicContact NZ-OD1 3.51Å; K124-D225 PolarHBondContact NZ-OD1 2.99Å; K124-D225 IonicContact NZ-OD2 2.6Å; K124-D225 PolarHBondContact NZ-OD2 2.46Å
125T95.2Very high95.2Very high74 Ų7469.6 Ų69.645%0.45434%0.338SS..Hα-helixtrans-59.9-50.2177.4-58.20000111C121 R122 T127 A128 E129C121-T125 PolarHBondContact O-N 2.99Å; C121-T125 VanDerWaalsContact O-N 3.08Å; C121-T125 PolarHBondContact O-OG1 2.85Å; R122-T125 WeakPolarHBondContact O-CB 3.48Å; R122-T125 PolarHBondContact O-N 3.4Å; R122-T125 VanDerWaalsContact O-N 3.13Å; T125-T127 VanDerWaalsContact C-N 3.32Å; T125-T127 PolarHBondContact O-N 2.75Å; T125-A128 PolarHBondContact O-N 2.92Å; T125-A128 VanDerWaalsContact O-N 3.16Å; T125-E129 WeakPolarHBondContact O-CG 2.99Å; T125-E129 PolarHBondContact O-N 3.06Å
126L95.5Very high95.2Very high66 Ų6671.3 Ų71.335%0.34635%0.349SS..Hα-helixtrans-61.8-39.7178-66.3174.9000112.2R122 E129 K130 V349R122-L126 HydrophobicContact CG-CD1 4.08Å; R122-L126 HydrophobicContact CG-CG 4.37Å; R122-L126 WeakPolarHBondContact O-CG 3.2Å; R122-L126 PolarHBondContact O-N 3.42Å; L126-E129 PolarHBondContact O-N 3.38Å; L126-K130 WeakPolarHBondContact O-CB 3.38Å; L126-K130 PolarHBondContact O-N 3.14Å; L126-V349 HydrophobicContact CD1-CG1 4.35Å; L126-V349 HydrophobicContact CD1-CG2 4.45Å
127T95.8Very high95.3Very high26 Ų2671 Ų7116%0.1635%0.353CS..Hα-helixtrans-61.9-46.2174.9-58.40000110.8A123 K124 T125 K130 E131 L220 K221A123-T127 WeakPolarHBondContact O-CB 3.32Å; A123-T127 PolarHBondContact O-N 2.97Å; A123-T127 PolarHBondContact O-OG1 2.94Å; K124-T127 PolarHBondContact O-N 2.9Å; T125-T127 VanDerWaalsContact C-N 3.32Å; T125-T127 PolarHBondContact O-N 2.75Å; T127-K130 PolarHBondContact O-N 3.42Å; T127-E131 VanDerWaalsContact CG2-CD 3.49Å; T127-E131 HydrophobicContact CG2-CG 4.17Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.18Å; T127-E131 WeakPolarHBondContact O-CB 3.47Å; T127-E131 WeakPolarHBondContact O-CG 3.5Å; T127-E131 PolarHBondContact O-N 2.85Å; T127-L220 HydrophobicContact CG2-CB 3.89Å; T127-L220 HydrophobicContact CG2-CD1 4.31Å; T127-K221 HydrophobicContact CG2-CG 3.86Å
128A96Very high95.5Very high23 Ų2377.5 Ų77.519%0.1938%0.38CS..Hα-helixtrans-64.2-43.1177.700000112.2K124 T125 K130 D132 K221K124-A128 WeakPolarHBondContact O-CB 3.33Å; K124-A128 PolarHBondContact O-N 3.48Å; T125-A128 PolarHBondContact O-N 2.92Å; T125-A128 VanDerWaalsContact O-N 3.16Å; A128-K130 VanDerWaalsContact C-N 3.33Å; A128-K130 PolarHBondContact O-N 3.45Å; A128-D132 WeakPolarHBondContact O-CA 3.38Å; A128-D132 WeakPolarHBondContact O-CB 3.18Å; A128-D132 PolarHBondContact O-N 3.02Å; A128-K221 HydrophobicContact CB-CD 3.89Å
129E95.4Very high95.9Very high117 Ų11771 Ų7155%0.54735%0.353SS..Hα-helixtrans-58.5-45.9175.4-73.9170.2178.500111.5T125 L126 S133T125-E129 WeakPolarHBondContact O-CG 2.99Å; T125-E129 PolarHBondContact O-N 3.06Å; L126-E129 PolarHBondContact O-N 3.38Å; E129-S133 WeakPolarHBondContact O-CB 3.45Å; E129-S133 PolarHBondContact O-N 3.45Å
130K96.2Very high96.2Very high173 Ų17376.8 Ų76.875%0.75237%0.373SS*.Hα-helixtrans-63.8-55.9177.8-176.3179.7179.7178.70111.8L126 T127 A128 S133L126-K130 WeakPolarHBondContact O-CB 3.38Å; L126-K130 PolarHBondContact O-N 3.14Å; T127-K130 PolarHBondContact O-N 3.42Å; A128-K130 VanDerWaalsContact C-N 3.33Å; A128-K130 PolarHBondContact O-N 3.45Å; K130-S133 PolarHBondContact O-OG 3.19Å
131E96.6Very high96.5Very high70 Ų7072.5 Ų72.533%0.32736%0.356SS..Hα-helixtrans-70.3-36.2-173.2-69.1178.7174.800112.9T127 S218 K221T127-E131 VanDerWaalsContact CG2-CD 3.49Å; T127-E131 HydrophobicContact CG2-CG 4.17Å; T127-E131 WeakPolarHBondContact CG2-OE1 3.18Å; T127-E131 WeakPolarHBondContact O-CB 3.47Å; T127-E131 WeakPolarHBondContact O-CG 3.5Å; T127-E131 PolarHBondContact O-N 2.85Å; E131-S218 PolarHBondContact OE1-OG 3.33Å; E131-S218 WeakPolarHBondContact OE2-CB 3.35Å; E131-S218 PolarHBondContact OE2-OG 3.38Å; E131-K221 WeakPolarHBondContact OE2-CE 3.4Å; E131-K221 IonicContact OE2-NZ 3.58Å; E131-K221 PolarHBondContact OE2-NZ 2.97Å
132D97.4Very high96.6Very high9 Ų974.9 Ų74.95%0.04838%0.376CS..Hα-helixtrans-91.4-16.7-172.7-56.2-15.2000112.5A128 Q134 I135 V136 L214 K221A128-D132 WeakPolarHBondContact O-CA 3.38Å; A128-D132 WeakPolarHBondContact O-CB 3.18Å; A128-D132 PolarHBondContact O-N 3.02Å; D132-Q134 PolarHBondContact O-N 2.54Å; D132-I135 PolarHBondContact O-N 2.84Å; D132-V136 HydrophobicContact CB-CG2 4Å; D132-V136 WeakPolarHBondContact O-CB 3.43Å; D132-V136 WeakPolarHBondContact O-CG2 3.47Å; D132-V136 PolarHBondContact O-N 3.35Å; D132-L214 HydrophobicContact CB-CD2 4.45Å; D132-K221 IonicContact OD1-NZ 2.81Å; D132-K221 PolarHBondContact OD1-NZ 2.81Å; D132-K221 IonicContact OD2-NZ 3.14Å
133S96.7Very high96.8Very high66 Ų6667.6 Ų67.646%0.46235%0.349SS..Hα-helixtrans-45.4-53.9-172.654.10000114E129 K130 A137E129-S133 WeakPolarHBondContact O-CB 3.45Å; E129-S133 PolarHBondContact O-N 3.45Å; K130-S133 PolarHBondContact O-OG 3.19Å; S133-A137 VanDerWaalsContact O-CB 3.26Å; S133-A137 WeakPolarHBondContact O-CB 3.36Å; S133-A137 PolarHBondContact O-N 2.8Å
134Q97.4Very high96.9Very high144 Ų14469.6 Ų69.667%0.67336%0.362SS*.Hα-helixtrans-66.4-41.5-177.6-65.1-173.35.300112.2D132 A137 K138D132-Q134 PolarHBondContact O-N 2.54Å; Q134-A137 PolarHBondContact O-N 2.84Å; Q134-K138 WeakPolarHBondContact O-CB 3.49Å; Q134-K138 VanDerWaalsContact O-CG 3.31Å; Q134-K138 WeakPolarHBondContact O-CG 3.37Å; Q134-K138 PolarHBondContact O-N 2.8Å
135I96.4Very high97Very high71 Ų7173 Ų7336%0.36438%0.382SS..Hα-helixtrans-67.6-46.1-179-63.7171.9000109.7D132 A137 K138 I139 L214D132-I135 PolarHBondContact O-N 2.84Å; I135-A137 VanDerWaalsContact C-N 3.35Å; I135-A137 PolarHBondContact O-N 2.84Å; I135-K138 PolarHBondContact O-N 3.47Å; I135-I139 HydrophobicContact CG2-CD1 3.86Å; I135-I139 WeakPolarHBondContact O-CG1 3.37Å; I135-I139 PolarHBondContact O-N 2.9Å; I135-L214 HydrophobicContact CD1-CD2 3.95Å; I135-L214 HydrophobicContact CG2-CD1 4.07Å; I135-L214 HydrophobicContact CG2-CD2 4.25Å
136V97.6Very high97.2Very high37 Ų3769.8 Ų69.822%0.22436%0.361CS..Hα-helixtrans-63-42.2178.1174.40000110.8D132 I139 R140 L161 L214D132-V136 HydrophobicContact CB-CG2 4Å; D132-V136 WeakPolarHBondContact O-CB 3.43Å; D132-V136 WeakPolarHBondContact O-CG2 3.47Å; D132-V136 PolarHBondContact O-N 3.35Å; V136-I139 PolarHBondContact O-N 2.96Å; V136-R140 VanDerWaalsContact O-CB 3.27Å; V136-R140 WeakPolarHBondContact O-CB 3.28Å; V136-R140 PolarHBondContact O-N 3.39Å; V136-L161 HydrophobicContact CG2-CD2 4.29Å; V136-L214 HydrophobicContact CG2-CD1 4.37Å
137A98Very high97.3Very high31 Ų3167.2 Ų67.226%0.25635%0.347SS..Hα-helixtrans-62.9-44.3176.100000112.3S133 Q134 I135 R140 N141S133-A137 VanDerWaalsContact O-CB 3.26Å; S133-A137 WeakPolarHBondContact O-CB 3.36Å; S133-A137 PolarHBondContact O-N 2.8Å; Q134-A137 PolarHBondContact O-N 2.84Å; I135-A137 VanDerWaalsContact C-N 3.35Å; I135-A137 PolarHBondContact O-N 2.84Å; A137-R140 PolarHBondContact O-N 2.91Å; A137-N141 WeakPolarHBondContact O-CB 3.36Å; A137-N141 PolarHBondContact O-N 3.21Å; A137-N141 PolarHBondContact O-OD1 2.81Å
138K97.8Very high97.5Very high148 Ų14873.4 Ų73.464%0.64337%0.368SS*.Hα-helixtrans-59.4-48.5175.5-76.9178.3-179.6-178.20111.5Q134 I135 N141 A142Q134-K138 WeakPolarHBondContact O-CB 3.49Å; Q134-K138 VanDerWaalsContact O-CG 3.31Å; Q134-K138 WeakPolarHBondContact O-CG 3.37Å; Q134-K138 PolarHBondContact O-N 2.8Å; I135-K138 PolarHBondContact O-N 3.47Å; K138-N141 PolarHBondContact O-N 2.92Å; K138-A142 WeakPolarHBondContact O-CB 3.22Å; K138-A142 PolarHBondContact O-N 2.99Å
139I98.1Very high97.6Very high19 Ų1974.8 Ų74.810%0.09737%0.369CS..Hα-helixtrans-62-47.8178.1-68.5168.9000110.8I135 V136 N141 A142 Y143 F147 L161 L207 V210I135-I139 HydrophobicContact CG2-CD1 3.86Å; I135-I139 WeakPolarHBondContact O-CG1 3.37Å; I135-I139 PolarHBondContact O-N 2.9Å; V136-I139 PolarHBondContact O-N 2.96Å; I139-N141 VanDerWaalsContact C-N 3.29Å; I139-N141 PolarHBondContact O-N 3.4Å; I139-A142 PolarHBondContact O-N 3.03Å; I139-Y143 HydrophobicContact CG2-CD2 3.86Å; I139-Y143 HydrophobicContact CG2-CE2 4.41Å; I139-Y143 WeakPolarHBondContact O-CB 3.21Å; I139-Y143 WeakPolarHBondContact O-CD2 3.46Å; I139-Y143 PolarHBondContact O-N 3.27Å; I139-F147 HydrophobicContact CG2-CE2 4.37Å; I139-F147 HydrophobicContact CG2-CZ 4.07Å; I139-L161 HydrophobicContact CB-CD2 4.43Å; I139-L161 HydrophobicContact CD1-CD2 3.84Å; I139-L161 HydrophobicContact CG2-CD1 4.05Å; I139-L161 HydrophobicContact CG2-CD2 4.1Å; I139-L161 HydrophobicContact CG2-CG 4.47Å; I139-L207 HydrophobicContact CG2-CD2 3.83Å; I139-V210 HydrophobicContact CD1-CG1 3.82Å
140R97.7Very high97.7Very high146 Ų14669.2 Ų69.255%0.55134%0.343SS*.Hα-helixtrans-55.3-45.4178.6179.5-169.663.7167.4-4.7111.8V136 A137 S144V136-R140 VanDerWaalsContact O-CB 3.27Å; V136-R140 WeakPolarHBondContact O-CB 3.28Å; V136-R140 PolarHBondContact O-N 3.39Å; A137-R140 PolarHBondContact O-N 2.91Å; R140-S144 WeakPolarHBondContact O-CA 3.49Å; R140-S144 WeakPolarHBondContact O-CB 3.37Å; R140-S144 PolarHBondContact O-N 2.99Å
141N98Very high97.9Very high98 Ų9862.2 Ų62.252%0.52432%0.317SS..Hα-helixtrans-70.5-47.4-178.4-65.6-3.9000110.7A137 K138 I139 Y143 S144A137-N141 WeakPolarHBondContact O-CB 3.36Å; A137-N141 PolarHBondContact O-N 3.21Å; A137-N141 PolarHBondContact O-OD1 2.81Å; K138-N141 PolarHBondContact O-N 2.92Å; I139-N141 VanDerWaalsContact C-N 3.29Å; I139-N141 PolarHBondContact O-N 3.4Å; N141-Y143 VanDerWaalsContact C-N 3.35Å; N141-Y143 PolarHBondContact O-N 2.68Å; N141-S144 WeakPolarHBondContact O-CB 3.39Å; N141-S144 PolarHBondContact O-N 3.15Å; N141-S144 PolarHBondContact O-OG 3.48Å; N141-S144 VanDerWaalsContact O-OG 3.04Å
142A97.7Very high97.9Very high56 Ų5664.2 Ų64.246%0.46333%0.333SS..Hα-helixtrans-66.5-32.1-176.100000113.5K138 I139 P192K138-A142 WeakPolarHBondContact O-CB 3.22Å; K138-A142 PolarHBondContact O-N 2.99Å; I139-A142 PolarHBondContact O-N 3.03Å; A142-P192 HydrophobicContact CB-CG 3.87Å
143Y98.3Very high98Very high6 Ų664.6 Ų64.62%0.02434%0.338CS..THydrogen-bonded Turntrans-107.318179.1-65.5-82.7000113.5I139 N141 N145 F146 F147 D191 P192 R193 I203 L207I139-Y143 HydrophobicContact CG2-CD2 3.86Å; I139-Y143 HydrophobicContact CG2-CE2 4.41Å; I139-Y143 WeakPolarHBondContact O-CB 3.21Å; I139-Y143 WeakPolarHBondContact O-CD2 3.46Å; I139-Y143 PolarHBondContact O-N 3.27Å; N141-Y143 VanDerWaalsContact C-N 3.35Å; N141-Y143 PolarHBondContact O-N 2.68Å; Y143-N145 PolarHBondContact O-N 3.08Å; Y143-F146 HydrophobicContact CD1-CB 4.4Å; Y143-F146 HydrophobicContact CD1-CD1 4.01Å; Y143-F146 WeakPolarHBondContact O-CB 3.45Å; Y143-F146 PolarHBondContact O-N 3.36Å; Y143-F146 VanDerWaalsContact O-N 3.12Å; Y143-F147 WeakPolarHBondContact O-CG 3.44Å; Y143-F147 PolarHBondContact O-N 2.81Å; Y143-D191 PolarHBondContact OH-OD1 3.26Å; Y143-P192 HydrophobicContact CE1-CG 4.19Å; Y143-P192 HydrophobicContact CE2-CG 4.05Å; Y143-R193 WeakPolarHBondContact OH-CG 3.44Å; Y143-R193 PolarHBondContact OH-NE 2.88Å; Y143-I203 HydrophobicContact CD1-CG2 3.93Å; Y143-I203 HydrophobicContact CE1-CG2 3.52Å; Y143-L207 HydrophobicContact CD1-CD1 4.41Å; Y143-L207 HydrophobicContact CD2-CD1 4.49Å; Y143-L207 HydrophobicContact CD2-CD2 4.18Å; Y143-L207 HydrophobicContact CE2-CD2 3.87Å; Y143-L207 HydrophobicContact CG-CD1 4.34Å
144S98Very high98.1Very high54 Ų5461.4 Ų61.438%0.37832%0.316SS..Hα-helixtrans-55-46.6-174.355.20000113.8R140 N141 F147 R148R140-S144 WeakPolarHBondContact O-CA 3.49Å; R140-S144 WeakPolarHBondContact O-CB 3.37Å; R140-S144 PolarHBondContact O-N 2.99Å; N141-S144 WeakPolarHBondContact O-CB 3.39Å; N141-S144 PolarHBondContact O-N 3.15Å; N141-S144 PolarHBondContact O-OG 3.48Å; N141-S144 VanDerWaalsContact O-OG 3.04Å; S144-F147 PolarHBondContact O-N 3.19Å; S144-R148 PolarHBondContact O-N 3.48Å
145N97.9Very high98.1Very high99 Ų9956 Ų5653%0.52930%0.299SS..Hα-helixtrans-67.6-40176.8-70.8-22.1000112.4Y143 F147 R148 F149 W189Y143-N145 PolarHBondContact O-N 3.08Å; N145-F147 PolarHBondContact O-N 3.13Å; N145-R148 WeakPolarHBondContact O-CB 3.11Å; N145-R148 PolarHBondContact O-N 2.96Å; N145-R148 PolarHBondContact OD1-NH1 2.76Å; N145-F149 PolarHBondContact O-N 2.9Å; N145-W189 HydrophobicContact CB-CZ3 4.36Å
146F98.6Very high98.2Very high6 Ų653.8 Ų53.83%0.02629%0.288CS..Hα-helixtrans-61.9-42.8175.9178.7-123.8000111.5Y143 R148 F149 L150 W189 A200 I203 L204 L207Y143-F146 HydrophobicContact CD1-CB 4.4Å; Y143-F146 HydrophobicContact CD1-CD1 4.01Å; Y143-F146 WeakPolarHBondContact O-CB 3.45Å; Y143-F146 PolarHBondContact O-N 3.36Å; Y143-F146 VanDerWaalsContact O-N 3.12Å; F146-R148 PolarHBondContact O-N 2.95Å; F146-F149 HydrophobicContact CD2-CD1 4.13Å; F146-F149 HydrophobicContact CE2-CD1 4.21Å; F146-F149 HydrophobicContact CE2-CE1 4.43Å; F146-F149 WeakPolarHBondContact O-CB 3.12Å; F146-F149 PolarHBondContact O-N 2.75Å; F146-L150 HydrophobicContact CD1-CD1 4.02Å; F146-L150 HydrophobicContact CD2-CG 4.38Å; F146-L150 HydrophobicContact CE1-CD1 3.56Å; F146-L150 HydrophobicContact CE1-CG 4.26Å; F146-L150 HydrophobicContact CE2-CD1 4.25Å; F146-L150 HydrophobicContact CE2-CD2 4.12Å; F146-L150 HydrophobicContact CE2-CG 4.07Å; F146-L150 HydrophobicContact CZ-CD1 3.71Å; F146-L150 HydrophobicContact CZ-CD2 4.08Å; F146-L150 HydrophobicContact CZ-CG 4.01Å; F146-L150 WeakPolarHBondContact O-CG 3.4Å; F146-L150 PolarHBondContact O-N 3.38Å; F146-W189 HydrophobicContact CB-CD2 4.42Å; F146-W189 HydrophobicContact CB-CE3 3.97Å; F146-W189 HydrophobicContact CB-CZ3 4.44Å; F146-W189 HydrophobicContact CD2-CB 4.14Å; F146-W189 AromaticContact CD2-CD1 3.86Å; F146-W189 AromaticContact CD2-CD2 3.54Å; F146-W189 HydrophobicContact CD2-CD2 3.54Å; F146-W189 AromaticContact CD2-CE2 3.94Å; F146-W189 AromaticContact CD2-CE3 3.95Å; F146-W189 HydrophobicContact CD2-CE3 3.95Å; F146-W189 AromaticContact CD2-CG 3.56Å; F146-W189 HydrophobicContact CD2-CG 3.56Å; F146-W189 HydrophobicContact CE2-CB 4.48Å; F146-W189 AromaticContact CE2-CD1 3.82Å; F146-W189 HydrophobicContact CE2-CD2 4.28Å; F146-W189 AromaticContact CE2-CG 3.93Å; F146-W189 HydrophobicContact CE2-CG 3.93Å; F146-W189 HydrophobicContact CG-CD2 4.43Å; F146-W189 HydrophobicContact CG-CE3 4.46Å; F146-A200 HydrophobicContact CE2-CB 3.67Å; F146-A200 HydrophobicContact CZ-CB 4.03Å; F146-I203 HydrophobicContact CD1-CG2 3.93Å; F146-I203 HydrophobicContact CE1-CB 4.03Å; F146-I203 HydrophobicContact CE1-CG2 3.44Å; F146-I203 VanDerWaalsContact CE1-CG2 3.44Å; F146-I203 HydrophobicContact CZ-CB 4.04Å; F146-I203 HydrophobicContact CZ-CG2 3.98Å; F146-L204 HydrophobicContact CE1-CG 4.46Å; F146-L204 HydrophobicContact CZ-CG 4.15Å; F146-L207 HydrophobicContact CD1-CD1 4.49Å; F146-L207 HydrophobicContact CE1-CD1 4.25Å
147F98.7Very high98.2Very high12 Ų1257.3 Ų57.35%0.05331%0.314CS..Hα-helixtrans-66.8-34.6175.7-69.7-14.4000113.2I139 Y143 S144 N145 L150 S151 F159 L161 V164 L207I139-F147 HydrophobicContact CG2-CE2 4.37Å; I139-F147 HydrophobicContact CG2-CZ 4.07Å; Y143-F147 WeakPolarHBondContact O-CG 3.44Å; Y143-F147 PolarHBondContact O-N 2.81Å; S144-F147 PolarHBondContact O-N 3.19Å; N145-F147 PolarHBondContact O-N 3.13Å; F147-L150 HydrophobicContact CD1-CD1 4.18Å; F147-L150 PolarHBondContact O-N 3.09Å; F147-S151 PolarHBondContact O-N 3.5Å; F147-S151 PolarHBondContact O-OG 3.48Å; F147-F159 WeakPolarHBondContact CB-O 3.4Å; F147-F159 AromaticContact CD1-CD1 3.97Å; F147-F159 HydrophobicContact CD1-CD1 3.97Å; F147-F159 HydrophobicContact CD1-CE1 4.22Å; F147-F159 HydrophobicContact CE1-CE1 4.42Å; F147-F159 HydrophobicContact CG-CD1 4.37Å; F147-L161 HydrophobicContact CZ-CB 4.41Å; F147-V164 HydrophobicContact CE1-CG2 4.35Å; F147-L207 HydrophobicContact CE1-CD1 3.78Å; F147-L207 HydrophobicContact CZ-CD1 4.08Å
148R98.5Very high98.1Very high157 Ų15761.1 Ų61.159%0.59233%0.33SS*.Hα-helixtrans-61.8-45.7171.2-169-179-59.7103.21.7111S144 N145 F146 S151 T152S144-R148 PolarHBondContact O-N 3.48Å; N145-R148 WeakPolarHBondContact O-CB 3.11Å; N145-R148 PolarHBondContact O-N 2.96Å; N145-R148 PolarHBondContact OD1-NH1 2.76Å; F146-R148 PolarHBondContact O-N 2.95Å; R148-S151 WeakPolarHBondContact O-CB 3.3Å; R148-S151 PolarHBondContact O-N 2.97Å; R148-T152 PolarHBondContact O-N 2.86Å
149F98.6Very high98.2Very high51 Ų5154.3 Ų54.322%0.22430%0.3CS..Hα-helixtrans-59.9-46.7174.1160.8-104.1000112.6N145 F146 S151 T152 A153 W184 S187 W189 A200N145-F149 PolarHBondContact O-N 2.9Å; F146-F149 HydrophobicContact CD2-CD1 4.13Å; F146-F149 HydrophobicContact CE2-CD1 4.21Å; F146-F149 HydrophobicContact CE2-CE1 4.43Å; F146-F149 WeakPolarHBondContact O-CB 3.12Å; F146-F149 PolarHBondContact O-N 2.75Å; F149-S151 PolarHBondContact O-N 3.45Å; F149-T152 PolarHBondContact O-N 3.28Å; F149-T152 VanDerWaalsContact O-N 3.08Å; F149-A153 HydrophobicContact CE1-CB 4.42Å; F149-A153 HydrophobicContact CE2-CB 4.36Å; F149-A153 HydrophobicContact CZ-CB 4.22Å; F149-A153 PolarHBondContact O-N 3.49Å; F149-W184 HydrophobicContact CE1-CE3 4.27Å; F149-W184 HydrophobicContact CZ-CB 3.93Å; F149-W184 HydrophobicContact CZ-CE3 4.46Å; F149-S187 VanDerWaalsContact CZ-OG 3.25Å; F149-S187 WeakPolarHBondContact CZ-OG 3.33Å; F149-W189 HydrophobicContact CB-CH2 3.32Å; F149-W189 HydrophobicContact CB-CZ2 3.34Å; F149-W189 HydrophobicContact CB-CZ3 4.25Å; F149-W189 AromaticContact CD1-CE2 3.56Å; F149-W189 HydrophobicContact CD1-CH2 4.21Å; F149-W189 AromaticContact CD1-CZ2 3.37Å; F149-W189 HydrophobicContact CD1-CZ2 3.37Å; F149-W189 AromaticContact CD1-NE1 3.63Å; F149-W189 HydrophobicContact CD2-CH2 4.24Å; F149-W189 AromaticContact CD2-CZ2 3.52Å; F149-W189 HydrophobicContact CD2-CZ2 3.52Å; F149-W189 AromaticContact CE1-CE2 3.86Å; F149-W189 AromaticContact CE1-CZ2 3.94Å; F149-W189 HydrophobicContact CE1-CZ2 3.94Å; F149-W189 AromaticContact CE1-NE1 3.45Å; F149-W189 HydrophobicContact CE2-CZ2 4.06Å; F149-W189 AromaticContact CG-CE2 3.83Å; F149-W189 AromaticContact CG-CH2 3.7Å; F149-W189 HydrophobicContact CG-CH2 3.7Å; F149-W189 AromaticContact CG-CZ2 3.1Å; F149-W189 HydrophobicContact CG-CZ2 3.1Å; F149-W189 HydrophobicContact CZ-CZ2 4.23Å; F149-W189 AromaticContact CZ-NE1 3.93Å; F149-A200 HydrophobicContact CE1-CB 4.33Å
150L98.7Very high98.2Very high0 Ų057.7 Ų57.70%031%0.314CS..Hα-helixtrans-61.8-29.4177.7-71.1-179.1000112.5F146 F147 T152 A153 T154 F159 W184 L204F146-L150 HydrophobicContact CD1-CD1 4.02Å; F146-L150 HydrophobicContact CD2-CG 4.38Å; F146-L150 HydrophobicContact CE1-CD1 3.56Å; F146-L150 HydrophobicContact CE1-CG 4.26Å; F146-L150 HydrophobicContact CE2-CD1 4.25Å; F146-L150 HydrophobicContact CE2-CD2 4.12Å; F146-L150 HydrophobicContact CE2-CG 4.07Å; F146-L150 HydrophobicContact CZ-CD1 3.71Å; F146-L150 HydrophobicContact CZ-CD2 4.08Å; F146-L150 HydrophobicContact CZ-CG 4.01Å; F146-L150 WeakPolarHBondContact O-CG 3.4Å; F146-L150 PolarHBondContact O-N 3.38Å; F147-L150 HydrophobicContact CD1-CD1 4.18Å; F147-L150 PolarHBondContact O-N 3.09Å; L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 PolarHBondContact O-N 3.43Å; L150-A153 PolarHBondContact O-N 2.87Å; L150-T154 VanDerWaalsContact O-CB 3.27Å; L150-T154 WeakPolarHBondContact O-CB 3.47Å; L150-T154 VanDerWaalsContact O-CG2 3.3Å; L150-T154 WeakPolarHBondContact O-CG2 3.12Å; L150-T154 PolarHBondContact O-N 3.19Å; L150-T154 PolarHBondContact O-OG1 3.43Å; L150-F159 HydrophobicContact CB-CB 4.3Å; L150-F159 HydrophobicContact CB-CD1 3.87Å; L150-F159 HydrophobicContact CB-CD2 3.94Å; L150-F159 HydrophobicContact CB-CE1 4.17Å; L150-F159 HydrophobicContact CB-CE2 4.21Å; L150-F159 HydrophobicContact CB-CG 3.77Å; L150-F159 HydrophobicContact CB-CZ 4.34Å; L150-F159 HydrophobicContact CD1-CD1 3.85Å; L150-F159 HydrophobicContact CD1-CE1 3.43Å; L150-F159 VanDerWaalsContact CD1-CE1 3.43Å; L150-F159 HydrophobicContact CD1-CE2 4.41Å; L150-F159 HydrophobicContact CD1-CZ 3.75Å; L150-F159 HydrophobicContact CG-CE1 4.47Å; L150-W184 HydrophobicContact CD2-CE3 4.24Å; L150-W184 HydrophobicContact CD2-CH2 4.27Å; L150-W184 HydrophobicContact CD2-CZ3 3.65Å; L150-L204 HydrophobicContact CD1-CD2 3.75Å; L150-L204 HydrophobicContact CD1-CG 4.36Å; L150-L204 HydrophobicContact CD2-CD1 4.21Å
151S98.6Very high98.2Very high27 Ų2751 Ų5119%0.18929%0.289CS..Hα-helixtrans-60.3-45174-56.30000111.2F147 R148 F149 G155 I156 F159F147-S151 PolarHBondContact O-N 3.5Å; F147-S151 PolarHBondContact O-OG 3.48Å; R148-S151 WeakPolarHBondContact O-CB 3.3Å; R148-S151 PolarHBondContact O-N 2.97Å; F149-S151 PolarHBondContact O-N 3.45Å; S151-G155 WeakPolarHBondContact O-CA 3.38Å; S151-G155 PolarHBondContact O-N 3.45Å; S151-I156 VanDerWaalsContact CA-O 3.29Å; S151-I156 WeakPolarHBondContact CA-O 3.39Å; S151-I156 WeakPolarHBondContact CB-O 3.37Å; S151-F159 VanDerWaalsContact OG-CB 3.24Å; S151-F159 WeakPolarHBondContact OG-CB 3.36Å; S151-F159 PolarHBondContact OG-N 3.12Å
152T98.3Very high98.1Very high111 Ų11150.7 Ų50.768%0.68129%0.285SS*.Hα-helixtrans-69.9-47.8175.3-54.60000111.9N16 R148 F149 L150 T154N16-T152 PolarHBondContact ND2-O 2.76Å; N16-T152 VanDerWaalsContact ND2-O 3.08Å; R148-T152 PolarHBondContact O-N 2.86Å; F149-T152 PolarHBondContact O-N 3.28Å; F149-T152 VanDerWaalsContact O-N 3.08Å; L150-T152 VanDerWaalsContact C-N 3.33Å; L150-T152 PolarHBondContact O-N 3.43Å; T152-T154 VanDerWaalsContact C-N 3.35Å; T152-T154 PolarHBondContact O-N 3.11Å
153A98.5Very high98.1Very high17 Ų1750.2 Ų50.214%0.1427%0.274CS..Hα-helixtrans-64.7-38.4-175.500000112.5N16 F149 L150 W184N16-A153 WeakPolarHBondContact CB-O 3.36Å; N16-A153 PolarHBondContact ND2-O 3Å; F149-A153 HydrophobicContact CE1-CB 4.42Å; F149-A153 HydrophobicContact CE2-CB 4.36Å; F149-A153 HydrophobicContact CZ-CB 4.22Å; F149-A153 PolarHBondContact O-N 3.49Å; L150-A153 PolarHBondContact O-N 2.87Å; A153-W184 HydrophobicContact CB-CB 4.29Å; A153-W184 HydrophobicContact CB-CD2 3.89Å; A153-W184 HydrophobicContact CB-CE3 4.24Å; A153-W184 HydrophobicContact CB-CG 3.9Å
154T98.5Very high98.1Very high0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-95.8-18.6-175.768.70000113.7Y14 P15 N16 L150 T152 I156 F159 V167 W184Y14-T154 HydrophobicContact CD2-CG2 4.14Å; Y14-T154 WeakPolarHBondContact CD2-O 3.21Å; Y14-T154 HydrophobicContact CG-CG2 4.41Å; P15-T154 VanDerWaalsContact CD-O 3.26Å; P15-T154 WeakPolarHBondContact CD-O 3.49Å; N16-T154 PolarHBondContact N-O 3Å; L150-T154 VanDerWaalsContact O-CB 3.27Å; L150-T154 WeakPolarHBondContact O-CB 3.47Å; L150-T154 VanDerWaalsContact O-CG2 3.3Å; L150-T154 WeakPolarHBondContact O-CG2 3.12Å; L150-T154 PolarHBondContact O-N 3.19Å; L150-T154 PolarHBondContact O-OG1 3.43Å; T152-T154 VanDerWaalsContact C-N 3.35Å; T152-T154 PolarHBondContact O-N 3.11Å; T154-I156 PolarHBondContact O-N 2.67Å; T154-I156 PolarHBondContact OG1-N 3.22Å; T154-F159 HydrophobicContact CG2-CD2 4.42Å; T154-F159 HydrophobicContact CG2-CE2 4.11Å; T154-V167 HydrophobicContact CG2-CG1 3.9Å; T154-V167 HydrophobicContact CG2-CG2 4.2Å; T154-W184 HydrophobicContact CG2-CH2 4.25Å; T154-W184 HydrophobicContact CG2-CZ2 4.25Å
155G98.4Very high98.1Very high31 Ų3148.6 Ų48.632%0.3226%0.263SS..  trans75.77.6-173.200000114N16 S151 S157N16-G155 PolarHBondContact ND2-N 2.68Å; S151-G155 WeakPolarHBondContact O-CA 3.38Å; S151-G155 PolarHBondContact O-N 3.45Å; G155-S157 PolarHBondContact O-N 3.17Å
156I98.4Very high98Very high24 Ų2448.9 Ų48.912%0.12326%0.26CS..  trans-83114.3173.3-60.1176.4000108.6P15 S151 T154 N158 F159 N163 V167P15-I156 HydrophobicContact CG-CG1 4.41Å; S151-I156 VanDerWaalsContact CA-O 3.29Å; S151-I156 WeakPolarHBondContact CA-O 3.39Å; S151-I156 WeakPolarHBondContact CB-O 3.37Å; T154-I156 PolarHBondContact O-N 2.67Å; T154-I156 PolarHBondContact OG1-N 3.22Å; I156-N158 PolarHBondContact O-N 2.79Å; I156-F159 HydrophobicContact CB-CD2 4.06Å; I156-F159 HydrophobicContact CD1-CD2 4.1Å; I156-F159 HydrophobicContact CD1-CE2 4.07Å; I156-F159 HydrophobicContact CG2-CD2 4.37Å; I156-N163 HydrophobicContact CD1-CB 4.21Å; I156-V167 HydrophobicContact CD1-CG2 3.77Å
157S97Very high98Very high111 Ų11148.6 Ų48.678%0.77626%0.259SS*.THydrogen-bonded Turntrans-59.1131173.759.70000111.1G155G155-S157 PolarHBondContact O-N 3.17Å
158N96.7Very high98Very high111 Ų11148.1 Ų48.159%0.59426%0.256SS*.THydrogen-bonded Turntrans54.355.9177.6-168.616.4000112.4I156 K160I156-N158 PolarHBondContact O-N 2.79Å; N158-K160 VanDerWaalsContact ND2-CE 3.26Å; N158-K160 WeakPolarHBondContact ND2-CE 3.5Å; N158-K160 PolarHBondContact ND2-NZ 2.96Å; N158-K160 WeakPolarHBondContact O-CG 3.14Å; N158-K160 PolarHBondContact O-N 2.84Å; N158-K160 WeakPolarHBondContact OD1-CE 3.06Å
159F98.6Very high97.9Very high4 Ų441 Ų412%0.01823%0.233CC..  trans-56.8133.4179.7-168.3-75.7000111.3F147 L150 S151 T154 I156 N163 V164 V167 L204F147-F159 WeakPolarHBondContact CB-O 3.4Å; F147-F159 AromaticContact CD1-CD1 3.97Å; F147-F159 HydrophobicContact CD1-CD1 3.97Å; F147-F159 HydrophobicContact CD1-CE1 4.22Å; F147-F159 HydrophobicContact CE1-CE1 4.42Å; F147-F159 HydrophobicContact CG-CD1 4.37Å; L150-F159 HydrophobicContact CB-CB 4.3Å; L150-F159 HydrophobicContact CB-CD1 3.87Å; L150-F159 HydrophobicContact CB-CD2 3.94Å; L150-F159 HydrophobicContact CB-CE1 4.17Å; L150-F159 HydrophobicContact CB-CE2 4.21Å; L150-F159 HydrophobicContact CB-CG 3.77Å; L150-F159 HydrophobicContact CB-CZ 4.34Å; L150-F159 HydrophobicContact CD1-CD1 3.85Å; L150-F159 HydrophobicContact CD1-CE1 3.43Å; L150-F159 VanDerWaalsContact CD1-CE1 3.43Å; L150-F159 HydrophobicContact CD1-CE2 4.41Å; L150-F159 HydrophobicContact CD1-CZ 3.75Å; L150-F159 HydrophobicContact CG-CE1 4.47Å; S151-F159 VanDerWaalsContact OG-CB 3.24Å; S151-F159 WeakPolarHBondContact OG-CB 3.36Å; S151-F159 PolarHBondContact OG-N 3.12Å; T154-F159 HydrophobicContact CG2-CD2 4.42Å; T154-F159 HydrophobicContact CG2-CE2 4.11Å; I156-F159 HydrophobicContact CB-CD2 4.06Å; I156-F159 HydrophobicContact CD1-CD2 4.1Å; I156-F159 HydrophobicContact CD1-CE2 4.07Å; I156-F159 HydrophobicContact CG2-CD2 4.37Å; F159-N163 HydrophobicContact CD1-CB 4.42Å; F159-N163 HydrophobicContact CD2-CB 3.97Å; F159-N163 HydrophobicContact CE1-CB 4.18Å; F159-N163 HydrophobicContact CE2-CB 3.73Å; F159-N163 HydrophobicContact CG-CB 4.3Å; F159-N163 HydrophobicContact CZ-CB 3.83Å; F159-V164 HydrophobicContact CE1-CG2 3.65Å; F159-V164 HydrophobicContact CZ-CG2 4.05Å; F159-V167 HydrophobicContact CE2-CB 4.34Å; F159-V167 HydrophobicContact CE2-CG2 3.66Å; F159-V167 HydrophobicContact CZ-CB 4.45Å; F159-V167 HydrophobicContact CZ-CG2 4.19Å; F159-L204 HydrophobicContact CZ-CD2 4.32Å
160K97.9Very high97.9Very high90 Ų9038.6 Ų38.639%0.39122%0.222SC..  trans-137.4177.1179.1-65.3172.3-170.4174.60111.7N158 E162 N163N158-K160 VanDerWaalsContact ND2-CE 3.26Å; N158-K160 WeakPolarHBondContact ND2-CE 3.5Å; N158-K160 PolarHBondContact ND2-NZ 2.96Å; N158-K160 WeakPolarHBondContact O-CG 3.14Å; N158-K160 PolarHBondContact O-N 2.84Å; N158-K160 WeakPolarHBondContact OD1-CE 3.06Å; K160-E162 WeakPolarHBondContact CB-OE2 3.34Å; K160-E162 PolarHBondContact O-N 2.73Å; K160-E162 VanDerWaalsContact O-N 3.1Å; K160-N163 PolarHBondContact N-OD1 3.33Å; K160-N163 WeakPolarHBondContact O-CB 3.47Å; K160-N163 PolarHBondContact O-N 3.33Å; K160-N163 PolarHBondContact O-OD1 3Å
161L97.9Very high97.9Very high6 Ų638.6 Ų38.63%0.03122%0.222CC..THydrogen-bonded Turntrans-54.3-30.8177.6-17460.5000112.7V136 I139 F147 N163 V164 L207 R211V136-L161 HydrophobicContact CG2-CD2 4.29Å; I139-L161 HydrophobicContact CB-CD2 4.43Å; I139-L161 HydrophobicContact CD1-CD2 3.84Å; I139-L161 HydrophobicContact CG2-CD1 4.05Å; I139-L161 HydrophobicContact CG2-CD2 4.1Å; I139-L161 HydrophobicContact CG2-CG 4.47Å; F147-L161 HydrophobicContact CZ-CB 4.41Å; L161-N163 VanDerWaalsContact C-N 3.26Å; L161-N163 PolarHBondContact O-N 3.42Å; L161-V164 HydrophobicContact CD1-CG2 4.25Å; L161-V164 WeakPolarHBondContact O-CB 3.37Å; L161-V164 PolarHBondContact O-N 3.1Å; L161-L207 HydrophobicContact CD1-CB 4.17Å; L161-L207 HydrophobicContact CD1-CD2 4.24Å; L161-R211 HydrophobicContact CD1-CB 3.99Å; L161-R211 HydrophobicContact CG-CB 4.04Å; L161-R211 HydrophobicContact CG-CG 4.17Å
162E96.2Very high97.8Very high91 Ų9139.8 Ų39.843%0.42523%0.225SC..THydrogen-bonded Turntrans-64.5-28.4176.8-63.969.6-145.900113.3K160K160-E162 WeakPolarHBondContact CB-OE2 3.34Å; K160-E162 PolarHBondContact O-N 2.73Å; K160-E162 VanDerWaalsContact O-N 3.1Å
163N98Very high97.7Very high46 Ų4635.2 Ų35.225%0.24620%0.195CC..THydrogen-bonded Turntrans-82.4-25.3-179.4-54.4107000112.4I156 F159 K160 L161 K166 V167I156-N163 HydrophobicContact CD1-CB 4.21Å; F159-N163 HydrophobicContact CD1-CB 4.42Å; F159-N163 HydrophobicContact CD2-CB 3.97Å; F159-N163 HydrophobicContact CE1-CB 4.18Å; F159-N163 HydrophobicContact CE2-CB 3.73Å; F159-N163 HydrophobicContact CG-CB 4.3Å; F159-N163 HydrophobicContact CZ-CB 3.83Å; K160-N163 PolarHBondContact N-OD1 3.33Å; K160-N163 WeakPolarHBondContact O-CB 3.47Å; K160-N163 PolarHBondContact O-N 3.33Å; K160-N163 PolarHBondContact O-OD1 3Å; L161-N163 VanDerWaalsContact C-N 3.26Å; L161-N163 PolarHBondContact O-N 3.42Å; N163-K166 WeakPolarHBondContact O-CB 3.43Å; N163-K166 PolarHBondContact O-N 3.13Å; N163-V167 PolarHBondContact O-N 3.23Å
164V98.5Very high97.6Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-50.4-49.7-175.41730000113.1F147 F159 L161 K166 V167 Q168 L204 L207 R208F147-V164 HydrophobicContact CE1-CG2 4.35Å; F159-V164 HydrophobicContact CE1-CG2 3.65Å; F159-V164 HydrophobicContact CZ-CG2 4.05Å; L161-V164 HydrophobicContact CD1-CG2 4.25Å; L161-V164 WeakPolarHBondContact O-CB 3.37Å; L161-V164 PolarHBondContact O-N 3.1Å; V164-K166 PolarHBondContact O-N 2.88Å; V164-K166 VanDerWaalsContact O-N 3.16Å; V164-V167 PolarHBondContact O-N 3.3Å; V164-Q168 WeakPolarHBondContact O-CB 3.05Å; V164-Q168 PolarHBondContact O-N 3.21Å; V164-L204 HydrophobicContact CB-CD2 4.37Å; V164-L204 HydrophobicContact CG1-CD2 3.87Å; V164-L204 WeakPolarHBondContact CG1-O 3.26Å; V164-L204 HydrophobicContact CG2-CD2 4.08Å; V164-L207 HydrophobicContact CG1-CB 3.78Å; V164-L207 HydrophobicContact CG2-CB 4.32Å; V164-L207 HydrophobicContact CG2-CD1 4.48Å; V164-R208 HydrophobicContact CG1-CB 4.01Å
165P97Very high97.5Very high26 Ų2639.1 Ų39.117%0.16921%0.21CC..Hα-helixtrans-63-25.6-177.4-24.335.7000114.6G169 R208 R211P165-G169 PolarHBondContact O-N 3.17Å; P165-R208 HydrophobicContact CB-CG 4.14Å; P165-R208 HydrophobicContact CG-CG 4.43Å; P165-R211 HydrophobicContact CG-CB 4.16Å; P165-R211 HydrophobicContact CG-CG 3.73Å
166K96.9Very high97.4Very high106 Ų10640.9 Ų40.946%0.46122%0.222SC..Hα-helixtrans-75.3-50.5177.6-168.7-169.9-168.5-161.40110.3T13 N163 V164 A170T13-K166 WeakPolarHBondContact O-CE 3.36Å; T13-K166 PolarHBondContact O-NZ 3.22Å; N163-K166 WeakPolarHBondContact O-CB 3.43Å; N163-K166 PolarHBondContact O-N 3.13Å; V164-K166 PolarHBondContact O-N 2.88Å; V164-K166 VanDerWaalsContact O-N 3.16Å; K166-A170 PolarHBondContact O-N 3.47Å; K166-A170 VanDerWaalsContact O-N 3.15Å
167V98.5Very high97.1Very high0 Ų043.6 Ų43.60%024%0.235CC..Hα-helixtrans-67.2-52.9-177.9175.50000111.1Y14 T154 I156 F159 N163 V164 G169 A170 L171 W184 L204Y14-V167 HydrophobicContact CD1-CB 4.25Å; Y14-V167 HydrophobicContact CD1-CG1 3.91Å; Y14-V167 HydrophobicContact CD1-CG2 4.04Å; Y14-V167 HydrophobicContact CE1-CG1 4.08Å; Y14-V167 HydrophobicContact CG-CG1 4.47Å; Y14-V167 HydrophobicContact CG-CG2 4.19Å; T154-V167 HydrophobicContact CG2-CG1 3.9Å; T154-V167 HydrophobicContact CG2-CG2 4.2Å; I156-V167 HydrophobicContact CD1-CG2 3.77Å; F159-V167 HydrophobicContact CE2-CB 4.34Å; F159-V167 HydrophobicContact CE2-CG2 3.66Å; F159-V167 HydrophobicContact CZ-CB 4.45Å; F159-V167 HydrophobicContact CZ-CG2 4.19Å; N163-V167 PolarHBondContact O-N 3.23Å; V164-V167 PolarHBondContact O-N 3.3Å; V167-G169 VanDerWaalsContact C-N 3.27Å; V167-G169 PolarHBondContact O-N 2.87Å; V167-A170 PolarHBondContact O-N 2.92Å; V167-A170 VanDerWaalsContact O-N 3.14Å; V167-L171 HydrophobicContact CG1-CD1 4.16Å; V167-L171 WeakPolarHBondContact O-CG 3.17Å; V167-L171 PolarHBondContact O-N 2.77Å; V167-L171 VanDerWaalsContact O-N 3.1Å; V167-W184 HydrophobicContact CG1-CH2 4.06Å; V167-L204 HydrophobicContact CG1-CD1 4.28Å
168Q98.3Very high97Very high1 Ų141.6 Ų41.61%0.00523%0.231CC..Hα-helixtrans-61.1-40.1179.5-169.3-78-21.500111.5V164 A170 L171 E172 L204 R205 R208V164-Q168 WeakPolarHBondContact O-CB 3.05Å; V164-Q168 PolarHBondContact O-N 3.21Å; Q168-A170 PolarHBondContact O-N 3.41Å; Q168-L171 PolarHBondContact O-N 3.39Å; Q168-E172 PolarHBondContact NE2-OE2 3.42Å; Q168-E172 WeakPolarHBondContact O-CB 3.33Å; Q168-E172 PolarHBondContact O-N 3.01Å; Q168-E172 PolarHBondContact OE1-OE2 3.16Å; Q168-L204 HydrophobicContact CB-CB 4.09Å; Q168-L204 HydrophobicContact CG-CB 4Å; Q168-R205 HydrophobicContact CG-CB 4.46Å; Q168-R208 HydrophobicContact CB-CB 4.22Å; Q168-R208 HydrophobicContact CG-CB 4.29Å
169G96.7Very high97Very high9 Ų939.3 Ų39.39%0.09322%0.215CC..Hα-helixtrans-69.6-20-179.600000114.4P165 V167P165-G169 PolarHBondContact O-N 3.17Å; V167-G169 VanDerWaalsContact C-N 3.27Å; V167-G169 PolarHBondContact O-N 2.87Å
170A98Very high97Very high0 Ų046.8 Ų46.80%025%0.247CC..Hα-helixtrans-76.8-53.5169.700000109.9P10 Y14 K166 V167 Q168 E172 R173 E174P10-A170 HydrophobicContact CB-CB 4.39Å; Y14-A170 HydrophobicContact CE1-CB 4.44Å; K166-A170 PolarHBondContact O-N 3.47Å; K166-A170 VanDerWaalsContact O-N 3.15Å; V167-A170 PolarHBondContact O-N 2.92Å; V167-A170 VanDerWaalsContact O-N 3.14Å; Q168-A170 PolarHBondContact O-N 3.41Å; A170-E172 VanDerWaalsContact C-N 3.33Å; A170-E172 PolarHBondContact O-N 2.94Å; A170-R173 WeakPolarHBondContact O-CA 3.3Å; A170-R173 WeakPolarHBondContact O-CB 3.15Å; A170-R173 PolarHBondContact O-N 2.79Å; A170-E174 WeakPolarHBondContact CB-OE1 3.49Å; A170-E174 WeakPolarHBondContact O-CG 3.33Å; A170-E174 PolarHBondContact O-N 2.04Å
171L98.5Very high97Very high0 Ų043.1 Ų43.10%023%0.232CC..Hα-helixtrans-54.4-45.1177.4-63171.7000113Y14 V167 Q168 R173 E174 E175 L181 W184 V185 Y201 L204Y14-L171 HydrophobicContact CE1-CD2 4.26Å; Y14-L171 HydrophobicContact CE1-CG 4.46Å; Y14-L171 WeakPolarHBondContact OH-CD2 3.11Å; V167-L171 HydrophobicContact CG1-CD1 4.16Å; V167-L171 WeakPolarHBondContact O-CG 3.17Å; V167-L171 PolarHBondContact O-N 2.77Å; V167-L171 VanDerWaalsContact O-N 3.1Å; Q168-L171 PolarHBondContact O-N 3.39Å; L171-R173 PolarHBondContact O-N 2.78Å; L171-E174 PolarHBondContact O-N 3.22Å; L171-E175 WeakPolarHBondContact O-CB 3.35Å; L171-E175 PolarHBondContact O-N 2.96Å; L171-L181 HydrophobicContact CB-CD2 4.39Å; L171-L181 HydrophobicContact CD2-CD2 4.21Å; L171-L181 WeakPolarHBondContact O-CD2 3.31Å; L171-W184 HydrophobicContact CD1-CH2 3.7Å; L171-W184 HydrophobicContact CD1-CZ2 4.2Å; L171-W184 HydrophobicContact CD2-CZ2 4.23Å; L171-V185 HydrophobicContact CD1-CG1 3.95Å; L171-V185 HydrophobicContact CD2-CG1 3.82Å; L171-Y201 HydrophobicContact CB-CD2 4.21Å; L171-Y201 HydrophobicContact CB-CE2 3.66Å; L171-Y201 HydrophobicContact CD1-CD2 4.05Å; L171-Y201 HydrophobicContact CD1-CE2 4.32Å; L171-L204 HydrophobicContact CD1-CD1 4.01Å
172E97.2Very high97Very high52 Ų5244 Ų4424%0.24324%0.238CC..Hα-helixtrans-60.5-31.5178.1-168.7-174.3143.200112.1Q168 A170 A176 Y201 R208Q168-E172 PolarHBondContact NE2-OE2 3.42Å; Q168-E172 WeakPolarHBondContact O-CB 3.33Å; Q168-E172 PolarHBondContact O-N 3.01Å; Q168-E172 PolarHBondContact OE1-OE2 3.16Å; A170-E172 VanDerWaalsContact C-N 3.33Å; A170-E172 PolarHBondContact O-N 2.94Å; E172-A176 VanDerWaalsContact O-CB 3.3Å; E172-A176 WeakPolarHBondContact O-CB 3.07Å; E172-A176 PolarHBondContact O-N 3.14Å; E172-A176 VanDerWaalsContact O-N 3.17Å; E172-Y201 WeakPolarHBondContact CA-OH 3.1Å; E172-R208 IonicContact OE2-NH1 3.89Å; E172-R208 PolarHBondContact OE2-NH1 2.86Å
173R96.1Very high97.1Very high14 Ų1446.3 Ų46.35%0.05325%0.252CS..Hα-helixtrans-83.2-39.7-179.5-98.956.5-149.8170.619.8110.9E7 R8 P10 W24 A170 L171 A176 M177 M279E7-R173 IonicContact OE1-CZ 3.44Å; E7-R173 IonicContact OE1-NE 2.69Å; E7-R173 PolarHBondContact OE1-NE 3.03Å; E7-R173 IonicContact OE1-NH2 3.03Å; E7-R173 PolarHBondContact OE1-NH2 2.61Å; E7-R173 IonicContact OE2-CZ 2.86Å; E7-R173 IonicContact OE2-NE 2.86Å; E7-R173 IonicContact OE2-NH2 3.68Å; E7-R173 PolarHBondContact OE2-NH2 3.42Å; R8-R173 WeakPolarHBondContact O-CG 3.32Å; P10-R173 HydrophobicContact CG-CB 3.78Å; P10-R173 HydrophobicContact CG-CG 4.42Å; W24-R173 HydrophobicContact CH2-CB 3.83Å; W24-R173 HydrophobicContact CZ2-CB 4.48Å; W24-R173 HydrophobicContact CZ3-CB 4.43Å; A170-R173 WeakPolarHBondContact O-CA 3.3Å; A170-R173 WeakPolarHBondContact O-CB 3.15Å; A170-R173 PolarHBondContact O-N 2.79Å; L171-R173 PolarHBondContact O-N 2.78Å; R173-A176 PolarHBondContact O-N 3.03Å; R173-M177 WeakPolarHBondContact O-CB 3.3Å; R173-M177 WeakPolarHBondContact O-CG 3.38Å; R173-M177 PolarHBondContact O-N 3.37Å; R173-M279 VanDerWaalsContact NH2-CE 3.29Å
174E97.2Very high97.1Very high0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-57-50.3171.9-68.8154.5-14200110.2D17 Y19 W24 A170 L171 A176 M177 G178 Y179 L181D17-E174 VanDerWaalsContact OD2-OE1 3.14Å; Y19-E174 HydrophobicContact CD2-CB 4.43Å; Y19-E174 HydrophobicContact CD2-CG 3.85Å; Y19-E174 HydrophobicContact CG-CG 4.4Å; W24-E174 HydrophobicContact CZ2-CG 3.95Å; A170-E174 WeakPolarHBondContact CB-OE1 3.49Å; A170-E174 WeakPolarHBondContact O-CG 3.33Å; A170-E174 PolarHBondContact O-N 2.04Å; L171-E174 PolarHBondContact O-N 3.22Å; E174-A176 PolarHBondContact O-N 3.45Å; E174-M177 CarbonylContact O-C 3.54Å; E174-M177 PolarHBondContact O-N 3.17Å; E174-M177 VanDerWaalsContact O-N 3.14Å; E174-G178 PolarHBondContact O-N 2.62Å; E174-Y179 HydrophobicContact CB-CD2 4.25Å; E174-Y179 HydrophobicContact CG-CD2 4.2Å; E174-Y179 WeakPolarHBondContact O-CB 3.48Å; E174-Y179 PolarHBondContact O-N 3.27Å; E174-L181 HydrophobicContact CB-CD2 3.83Å
175E96.9Very high97.1Very high100 Ų10046 Ų4647%0.46725%0.248SC..Hα-helixtrans-57.8-48.3175.8-176.2177.6-13400111.7L171 M177 G178 L181 Y201L171-E175 WeakPolarHBondContact O-CB 3.35Å; L171-E175 PolarHBondContact O-N 2.96Å; E175-M177 PolarHBondContact O-N 2.64Å; E175-G178 PolarHBondContact O-N 2.97Å; E175-L181 HydrophobicContact CB-CD1 4.18Å; E175-L181 HydrophobicContact CB-CD2 4.17Å; E175-L181 HydrophobicContact CB-CG 4.37Å; E175-Y201 WeakPolarHBondContact OE2-CE1 3.39Å; E175-Y201 VanDerWaalsContact OE2-CZ 3.3Å; E175-Y201 PolarHBondContact OE2-OH 3.2Å
176A94.7Very high97.1Very high68 Ų6850.2 Ų50.256%0.56226%0.264SS*.Hα-helixtrans-63-24.3179.600000113.7E172 R173 E174E172-A176 VanDerWaalsContact O-CB 3.3Å; E172-A176 WeakPolarHBondContact O-CB 3.07Å; E172-A176 PolarHBondContact O-N 3.14Å; E172-A176 VanDerWaalsContact O-N 3.17Å; R173-A176 PolarHBondContact O-N 3.03Å; E174-A176 PolarHBondContact O-N 3.45Å
177M93Very high97.2Very high81 Ų8146.8 Ų46.840%0.39925%0.253SS..THydrogen-bonded Turntrans-91.71.5174.9-70.8-57.6-61.500113.5W24 L32 R173 E174 E175 Y179W24-M177 HydrophobicContact CH2-CB 4.34Å; W24-M177 HydrophobicContact CH2-CG 3.8Å; W24-M177 HydrophobicContact CZ3-CB 4.42Å; W24-M177 HydrophobicContact CZ3-CG 3.49Å; W24-M177 VanDerWaalsContact CZ3-CG 3.49Å; L32-M177 HydrophobicContact CD1-CG 4.48Å; L32-M177 HydrophobicContact CD1-SD 3.79Å; R173-M177 WeakPolarHBondContact O-CB 3.3Å; R173-M177 WeakPolarHBondContact O-CG 3.38Å; R173-M177 PolarHBondContact O-N 3.37Å; E174-M177 CarbonylContact O-C 3.54Å; E174-M177 PolarHBondContact O-N 3.17Å; E174-M177 VanDerWaalsContact O-N 3.14Å; E175-M177 PolarHBondContact O-N 2.64Å; M177-Y179 VanDerWaalsContact C-N 3.31Å; M177-Y179 HydrophobicContact CB-CD2 4.39Å; M177-Y179 HydrophobicContact CB-CE2 4.41Å
178G95.3Very high97.2Very high68 Ų6852.1 Ų52.170%0.70128%0.28SS*.THydrogen-bonded Turntrans76.516.5-177.800000114E174 E175E174-G178 PolarHBondContact O-N 2.62Å; E175-G178 PolarHBondContact O-N 2.97Å
179Y96.5Very high97.2Very high63 Ų6355 Ų5525%0.24729%0.291CS..  trans-73143.8172-65.2-21.2000110.9Y19 V23 W24 E174 M177 L181Y19-Y179 HydrophobicContact CD1-CD2 4.09Å; Y19-Y179 HydrophobicContact CD1-CG 4.29Å; Y19-Y179 HydrophobicContact CD2-CD2 4.34Å; Y19-Y179 HydrophobicContact CE1-CD2 4.41Å; Y19-Y179 HydrophobicContact CE1-CG 4.15Å; Y19-Y179 HydrophobicContact CE2-CG 4.42Å; Y19-Y179 HydrophobicContact CG-CD2 4.05Å; Y19-Y179 HydrophobicContact CG-CG 4.5Å; V23-Y179 HydrophobicContact CG2-CE2 4Å; V23-Y179 PolarHBondContact O-OH 3.47Å; W24-Y179 HydrophobicContact CH2-CD2 4.32Å; W24-Y179 HydrophobicContact CH2-CE2 4.08Å; W24-Y179 HydrophobicContact CZ2-CD2 4.06Å; W24-Y179 AromaticContact CZ2-CE2 3.84Å; W24-Y179 HydrophobicContact CZ2-CE2 3.84Å; E174-Y179 HydrophobicContact CB-CD2 4.25Å; E174-Y179 HydrophobicContact CG-CD2 4.2Å; E174-Y179 WeakPolarHBondContact O-CB 3.48Å; E174-Y179 PolarHBondContact O-N 3.27Å; M177-Y179 VanDerWaalsContact C-N 3.31Å; M177-Y179 HydrophobicContact CB-CD2 4.39Å; M177-Y179 HydrophobicContact CB-CE2 4.41Å; Y179-L181 PolarHBondContact O-N 3.24Å
180K97.6Very high97.3Very high161 Ų16161 Ų6170%0.731%0.311SS*.  trans-75.8111.1-178.7-176.7178.7-179.7178.10109.4Y19Y19-K180 WeakPolarHBondContact CE2-O 3.31Å; Y19-K180 PolarHBondContact OH-N 2.71Å; Y19-K180 VanDerWaalsContact OH-N 3.14Å; Y19-K180 PolarHBondContact OH-O 2.83Å; Y19-K180 VanDerWaalsContact OH-O 3.11Å
181L98Very high97.3Very high14 Ų1461 Ų617%0.07331%0.311CS..  trans-63144.9177.9-57.3-177.7000111.8L171 E174 E175 Y179 V185 F186 Y201L171-L181 HydrophobicContact CB-CD2 4.39Å; L171-L181 HydrophobicContact CD2-CD2 4.21Å; L171-L181 WeakPolarHBondContact O-CD2 3.31Å; E174-L181 HydrophobicContact CB-CD2 3.83Å; E175-L181 HydrophobicContact CB-CD1 4.18Å; E175-L181 HydrophobicContact CB-CD2 4.17Å; E175-L181 HydrophobicContact CB-CG 4.37Å; Y179-L181 PolarHBondContact O-N 3.24Å; L181-V185 HydrophobicContact CB-CG2 3.76Å; L181-V185 HydrophobicContact CD1-CG2 4.2Å; L181-F186 HydrophobicContact CB-CZ 4.31Å; L181-Y201 HydrophobicContact CD1-CD2 4.45Å; L181-Y201 HydrophobicContact CD1-CE2 4.26Å
182P97.7Very high97.1Very high23 Ų2363.3 Ų63.315%0.14933%0.326CS..  trans-59.5144175.9-25.735.3000112.9P18 W184 V185P18-P182 HydrophobicContact CG-CG 4.28Å; P182-W184 VanDerWaalsContact CB-CD1 3.41Å; P182-W184 HydrophobicContact CB-CG 4.28Å; P182-W184 VanDerWaalsContact CB-NE1 3.3Å; P182-W184 PolarHBondContact O-N 3.24Å; P182-V185 WeakPolarHBondContact O-CG1 3.45Å; P182-V185 WeakPolarHBondContact O-CG2 3.45Å; P182-V185 PolarHBondContact O-N 3.46Å
183L98Very high97Very high140 Ų14065.9 Ų65.973%0.73333%0.333SS*.G310 helixtrans-56.1-31.1-174.7-68.5177.1000114.5V185 F186L183-V185 PolarHBondContact O-N 2.85Å; L183-V185 VanDerWaalsContact O-N 3.15Å; L183-F186 PolarHBondContact O-N 3.17Å; L183-F186 VanDerWaalsContact O-N 3.1Å
184W98.3Very high97Very high39 Ų3968 Ų6815%0.14835%0.348CS..G310 helixtrans-60.8-25.4-178.668.6-107.3000112.7Y14 F149 L150 A153 T154 V167 L171 P182 F186 S187 A200 L204Y14-W184 HydrophobicContact CE2-CZ2 4.14Å; Y14-W184 AromaticContact CZ-CZ2 3.97Å; F149-W184 HydrophobicContact CE1-CE3 4.27Å; F149-W184 HydrophobicContact CZ-CB 3.93Å; F149-W184 HydrophobicContact CZ-CE3 4.46Å; L150-W184 HydrophobicContact CD2-CE3 4.24Å; L150-W184 HydrophobicContact CD2-CH2 4.27Å; L150-W184 HydrophobicContact CD2-CZ3 3.65Å; A153-W184 HydrophobicContact CB-CB 4.29Å; A153-W184 HydrophobicContact CB-CD2 3.89Å; A153-W184 HydrophobicContact CB-CE3 4.24Å; A153-W184 HydrophobicContact CB-CG 3.9Å; T154-W184 HydrophobicContact CG2-CH2 4.25Å; T154-W184 HydrophobicContact CG2-CZ2 4.25Å; V167-W184 HydrophobicContact CG1-CH2 4.06Å; L171-W184 HydrophobicContact CD1-CH2 3.7Å; L171-W184 HydrophobicContact CD1-CZ2 4.2Å; L171-W184 HydrophobicContact CD2-CZ2 4.23Å; P182-W184 VanDerWaalsContact CB-CD1 3.41Å; P182-W184 HydrophobicContact CB-CG 4.28Å; P182-W184 VanDerWaalsContact CB-NE1 3.3Å; P182-W184 PolarHBondContact O-N 3.24Å; W184-F186 PolarHBondContact O-N 3.39Å; W184-S187 WeakPolarHBondContact O-CB 3.22Å; W184-S187 PolarHBondContact O-N 3.45Å; W184-S187 VanDerWaalsContact O-N 3.1Å; W184-S187 PolarHBondContact O-OG 3.49Å; W184-A200 HydrophobicContact CE3-CB 4.31Å; W184-A200 HydrophobicContact CZ3-CB 4.34Å; W184-L204 HydrophobicContact CH2-CD1 3.89Å; W184-L204 HydrophobicContact CZ3-CD1 3.81Å
185V98.4Very high97Very high0 Ų072.1 Ų72.10%038%0.377CS..G310 helixtrans-64.5-24.2179.1-55.50000112.2L171 L181 P182 L183 A200 Y201L171-V185 HydrophobicContact CD1-CG1 3.95Å; L171-V185 HydrophobicContact CD2-CG1 3.82Å; L181-V185 HydrophobicContact CB-CG2 3.76Å; L181-V185 HydrophobicContact CD1-CG2 4.2Å; P182-V185 WeakPolarHBondContact O-CG1 3.45Å; P182-V185 WeakPolarHBondContact O-CG2 3.45Å; P182-V185 PolarHBondContact O-N 3.46Å; L183-V185 PolarHBondContact O-N 2.85Å; L183-V185 VanDerWaalsContact O-N 3.15Å; V185-A200 PolarHBondContact O-N 2.64Å; V185-Y201 PolarHBondContact O-N 2.89Å
186F98.5Very high97Very high116 Ų11672.9 Ų72.951%0.50938%0.379SS..G310 helixtrans-92.4-3.2178.8-52.3-66.7000113.2L181 L183 W184L181-F186 HydrophobicContact CB-CZ 4.31Å; L183-F186 PolarHBondContact O-N 3.17Å; L183-F186 VanDerWaalsContact O-N 3.1Å; W184-F186 PolarHBondContact O-N 3.39Å
187S98.4Very high97.1Very high34 Ų3473.7 Ų73.724%0.23837%0.374CS..  trans-61.7140.1174.563.50000110.8F149 W184 W189 T199 A200F149-S187 VanDerWaalsContact CZ-OG 3.25Å; F149-S187 WeakPolarHBondContact CZ-OG 3.33Å; W184-S187 WeakPolarHBondContact O-CB 3.22Å; W184-S187 PolarHBondContact O-N 3.45Å; W184-S187 VanDerWaalsContact O-N 3.1Å; W184-S187 PolarHBondContact O-OG 3.49Å; S187-W189 PolarHBondContact OG-NE1 3.29Å; S187-T199 CarbonylContact O-C 3.48Å; S187-T199 WeakPolarHBondContact O-CA 3.43Å; S187-A200 PolarHBondContact O-N 3.48Å
188M98.5Very high97.4Very high112 Ų11271.4 Ų71.455%0.55236%0.361SS*.EExtended strand (participates in β ladder)trans-91.1131-175.6-65.7-62.9-76.700111.1N197 R198 T199M188-N197 HydrophobicContact CB-CB 4.38Å; M188-N197 HydrophobicContact CE-CB 3.98Å; M188-N197 WeakPolarHBondContact CE-O 3.36Å; M188-R198 WeakPolarHBondContact CA-O 3.38Å; M188-T199 HydrophobicContact SD-CG2 4Å
189W98.3Very high97.6Very high62 Ų6269.6 Ų69.624%0.23534%0.336CS..EExtended strand (participates in β ladder)trans-135.4140-177.4-7187000110.5N145 F146 F149 S187 D191 N197 R198 I203N145-W189 HydrophobicContact CB-CZ3 4.36Å; F146-W189 HydrophobicContact CB-CD2 4.42Å; F146-W189 HydrophobicContact CB-CE3 3.97Å; F146-W189 HydrophobicContact CB-CZ3 4.44Å; F146-W189 HydrophobicContact CD2-CB 4.14Å; F146-W189 AromaticContact CD2-CD1 3.86Å; F146-W189 AromaticContact CD2-CD2 3.54Å; F146-W189 HydrophobicContact CD2-CD2 3.54Å; F146-W189 AromaticContact CD2-CE2 3.94Å; F146-W189 AromaticContact CD2-CE3 3.95Å; F146-W189 HydrophobicContact CD2-CE3 3.95Å; F146-W189 AromaticContact CD2-CG 3.56Å; F146-W189 HydrophobicContact CD2-CG 3.56Å; F146-W189 HydrophobicContact CE2-CB 4.48Å; F146-W189 AromaticContact CE2-CD1 3.82Å; F146-W189 HydrophobicContact CE2-CD2 4.28Å; F146-W189 AromaticContact CE2-CG 3.93Å; F146-W189 HydrophobicContact CE2-CG 3.93Å; F146-W189 HydrophobicContact CG-CD2 4.43Å; F146-W189 HydrophobicContact CG-CE3 4.46Å; F149-W189 HydrophobicContact CB-CH2 3.32Å; F149-W189 HydrophobicContact CB-CZ2 3.34Å; F149-W189 HydrophobicContact CB-CZ3 4.25Å; F149-W189 AromaticContact CD1-CE2 3.56Å; F149-W189 HydrophobicContact CD1-CH2 4.21Å; F149-W189 AromaticContact CD1-CZ2 3.37Å; F149-W189 HydrophobicContact CD1-CZ2 3.37Å; F149-W189 AromaticContact CD1-NE1 3.63Å; F149-W189 HydrophobicContact CD2-CH2 4.24Å; F149-W189 AromaticContact CD2-CZ2 3.52Å; F149-W189 HydrophobicContact CD2-CZ2 3.52Å; F149-W189 AromaticContact CE1-CE2 3.86Å; F149-W189 AromaticContact CE1-CZ2 3.94Å; F149-W189 HydrophobicContact CE1-CZ2 3.94Å; F149-W189 AromaticContact CE1-NE1 3.45Å; F149-W189 HydrophobicContact CE2-CZ2 4.06Å; F149-W189 AromaticContact CG-CE2 3.83Å; F149-W189 AromaticContact CG-CH2 3.7Å; F149-W189 HydrophobicContact CG-CH2 3.7Å; F149-W189 AromaticContact CG-CZ2 3.1Å; F149-W189 HydrophobicContact CG-CZ2 3.1Å; F149-W189 HydrophobicContact CZ-CZ2 4.23Å; F149-W189 AromaticContact CZ-NE1 3.93Å; S187-W189 PolarHBondContact OG-NE1 3.29Å; W189-D191 PolarHBondContact O-N 3.29Å; W189-N197 CarbonylContact O-C 3.52Å; W189-N197 VanDerWaalsContact O-CA 3.26Å; W189-N197 WeakPolarHBondContact O-CA 3.32Å; W189-R198 PolarHBondContact N-O 3.3Å; W189-R198 PolarHBondContact O-N 3.23Å; W189-I203 HydrophobicContact CB-CD1 3.54Å
190Y97.9Very high97.7Very high135 Ų13566.6 Ų66.653%0.52932%0.324SS..EExtended strand (participates in β ladder)trans-61124.1175.2-178.6-103.7000110.6P192 N197Y190-P192 HydrophobicContact CE1-CB 3.97Å; Y190-P192 WeakPolarHBondContact O-CD 3.49Å; Y190-N197 WeakPolarHBondContact CA-OD1 3.29Å; Y190-N197 WeakPolarHBondContact CB-OD1 3.34Å; Y190-N197 PolarHBondContact N-OD1 3.01Å
191D97.9Very high97.7Very high0 Ų059.9 Ų59.90%029%0.294CS..EExtended strand (participates in β ladder)trans-104.6106.3174-165.5-34.4000110.8Y143 W189 R193 V194 S195 F196 R198 I203Y143-D191 PolarHBondContact OH-OD1 3.26Å; W189-D191 PolarHBondContact O-N 3.29Å; D191-R193 PolarHBondContact O-N 3.41Å; D191-R193 VanDerWaalsContact O-N 3.08Å; D191-R193 WeakPolarHBondContact OD1-CB 3.37Å; D191-R193 IonicContact OD1-CZ 2.81Å; D191-R193 PolarHBondContact OD1-N 2.93Å; D191-R193 IonicContact OD1-NE 3.29Å; D191-R193 PolarHBondContact OD1-NE 3.3Å; D191-R193 IonicContact OD1-NH2 2.75Å; D191-R193 IonicContact OD2-CZ 2.97Å; D191-R193 IonicContact OD2-NE 3.32Å; D191-R193 IonicContact OD2-NH2 2.58Å; D191-R193 PolarHBondContact OD2-NH2 2.89Å; D191-V194 HydrophobicContact CB-CG2 3.79Å; D191-V194 PolarHBondContact O-N 2.71Å; D191-S195 PolarHBondContact O-N 3.28Å; D191-F196 PolarHBondContact N-O 3.26Å; D191-R198 HydrophobicContact CB-CG 4.43Å; D191-R198 IonicContact OD2-CZ 3.93Å; D191-R198 IonicContact OD2-NE 2.71Å; D191-R198 PolarHBondContact OD2-NE 3.09Å; D191-R198 IonicContact OD2-NH2 3.38Å; D191-R198 PolarHBondContact OD2-NH2 3.11Å; D191-I203 HydrophobicContact CB-CD1 4.26Å; D191-I203 HydrophobicContact CB-CG1 4.3Å
192P95.9Very high97.7Very high47 Ų4761.3 Ų61.331%0.30530%0.302SS..THydrogen-bonded Turntrans-65-12.9-17825.7-33.9000114.2A142 Y143 Y190A142-P192 HydrophobicContact CB-CG 3.87Å; Y143-P192 HydrophobicContact CE1-CG 4.19Å; Y143-P192 HydrophobicContact CE2-CG 4.05Å; Y190-P192 HydrophobicContact CE1-CB 3.97Å; Y190-P192 WeakPolarHBondContact O-CD 3.49Å
193R94.5Very high97.8Very high106 Ų10660.2 Ų60.240%0.430%0.295SS..THydrogen-bonded Turntrans-78.8-26.1178-65.5177.6-67.3131.2-0.2113Y143 D191 D206Y143-R193 WeakPolarHBondContact OH-CG 3.44Å; Y143-R193 PolarHBondContact OH-NE 2.88Å; D191-R193 PolarHBondContact O-N 3.41Å; D191-R193 VanDerWaalsContact O-N 3.08Å; D191-R193 WeakPolarHBondContact OD1-CB 3.37Å; D191-R193 IonicContact OD1-CZ 2.81Å; D191-R193 PolarHBondContact OD1-N 2.93Å; D191-R193 IonicContact OD1-NE 3.29Å; D191-R193 PolarHBondContact OD1-NE 3.3Å; D191-R193 IonicContact OD1-NH2 2.75Å; D191-R193 IonicContact OD2-CZ 2.97Å; D191-R193 IonicContact OD2-NE 3.32Å; D191-R193 IonicContact OD2-NH2 2.58Å; D191-R193 PolarHBondContact OD2-NH2 2.89Å; R193-D206 VanDerWaalsContact CZ-CB 3.48Å; R193-D206 IonicContact CZ-OD2 3.74Å; R193-D206 VanDerWaalsContact CZ-OD2 3.3Å; R193-D206 IonicContact NH1-OD2 3.33Å; R193-D206 PolarHBondContact NH1-OD2 3.49Å; R193-D206 IonicContact NH2-OD2 3.7Å; R193-D206 PolarHBondContact NH2-OD2 2.94Å
194V96.1Very high97.8Very high60 Ų6053.5 Ų53.536%0.36426%0.26SS..THydrogen-bonded Turntrans-123.6-4.4-177.1-61.90000112.6D191 F196 R198D191-V194 HydrophobicContact CB-CG2 3.79Å; D191-V194 PolarHBondContact O-N 2.71Å; V194-F196 VanDerWaalsContact C-N 3.31Å; V194-F196 HydrophobicContact CB-CD1 3.76Å; V194-F196 HydrophobicContact CB-CE1 3.46Å; V194-F196 VanDerWaalsContact CB-CE1 3.46Å; V194-F196 HydrophobicContact CB-CZ 4.3Å; V194-F196 HydrophobicContact CG1-CE1 4.38Å; V194-F196 HydrophobicContact CG2-CD1 3.54Å; V194-F196 HydrophobicContact CG2-CE1 3.37Å; V194-F196 HydrophobicContact CG2-CE2 4.45Å; V194-F196 HydrophobicContact CG2-CG 4.15Å; V194-F196 HydrophobicContact CG2-CZ 3.85Å; V194-F196 VanDerWaalsContact O-CD1 3.23Å; V194-F196 WeakPolarHBondContact O-CD1 3.45Å; V194-F196 PolarHBondContact O-N 2.96Å; V194-R198 HydrophobicContact CG2-CG 4.38Å
195S95.7Very high97.8Very high86 Ų8657 Ų5760%0.60127%0.273SS*.THydrogen-bonded Turntrans61.730.9176.3-54.10000114.8D191D191-S195 PolarHBondContact O-N 3.28Å
196F97.3Very high97.8Very high115 Ų11558.5 Ų58.550%0.50428%0.281SS..EExtended strand (participates in β ladder)trans-147.7166.1171.668.6-93000111.8D191 V194 R198D191-F196 PolarHBondContact N-O 3.26Å; V194-F196 VanDerWaalsContact C-N 3.31Å; V194-F196 HydrophobicContact CB-CD1 3.76Å; V194-F196 HydrophobicContact CB-CE1 3.46Å; V194-F196 VanDerWaalsContact CB-CE1 3.46Å; V194-F196 HydrophobicContact CB-CZ 4.3Å; V194-F196 HydrophobicContact CG1-CE1 4.38Å; V194-F196 HydrophobicContact CG2-CD1 3.54Å; V194-F196 HydrophobicContact CG2-CE1 3.37Å; V194-F196 HydrophobicContact CG2-CE2 4.45Å; V194-F196 HydrophobicContact CG2-CG 4.15Å; V194-F196 HydrophobicContact CG2-CZ 3.85Å; V194-F196 VanDerWaalsContact O-CD1 3.23Å; V194-F196 WeakPolarHBondContact O-CD1 3.45Å; V194-F196 PolarHBondContact O-N 2.96Å; F196-R198 HydrophobicContact CD2-CG 3.72Å; F196-R198 HydrophobicContact CE2-CG 3.29Å; F196-R198 HydrophobicContact CZ-CG 3.94Å
197N98.4Very high97.7Very high86 Ų8653 Ų5346%0.4626%0.257SS..EExtended strand (participates in β ladder)trans-76132.8-179.9-69.5-9.6000111.4M188 W189 Y190M188-N197 HydrophobicContact CB-CB 4.38Å; M188-N197 HydrophobicContact CE-CB 3.98Å; M188-N197 WeakPolarHBondContact CE-O 3.36Å; W189-N197 CarbonylContact O-C 3.52Å; W189-N197 VanDerWaalsContact O-CA 3.26Å; W189-N197 WeakPolarHBondContact O-CA 3.32Å; Y190-N197 WeakPolarHBondContact CA-OD1 3.29Å; Y190-N197 WeakPolarHBondContact CB-OD1 3.34Å; Y190-N197 PolarHBondContact N-OD1 3.01Å
198R98.4Very high97.7Very high33 Ų3352.7 Ų52.713%0.12525%0.251CS..EExtended strand (participates in β ladder)trans-130.5164.4176.3-62.8-165.3-58.4155.829.1111M188 W189 D191 V194 F196 D202 I203 D206M188-R198 WeakPolarHBondContact CA-O 3.38Å; W189-R198 PolarHBondContact N-O 3.3Å; W189-R198 PolarHBondContact O-N 3.23Å; D191-R198 HydrophobicContact CB-CG 4.43Å; D191-R198 IonicContact OD2-CZ 3.93Å; D191-R198 IonicContact OD2-NE 2.71Å; D191-R198 PolarHBondContact OD2-NE 3.09Å; D191-R198 IonicContact OD2-NH2 3.38Å; D191-R198 PolarHBondContact OD2-NH2 3.11Å; V194-R198 HydrophobicContact CG2-CG 4.38Å; F196-R198 HydrophobicContact CD2-CG 3.72Å; F196-R198 HydrophobicContact CE2-CG 3.29Å; F196-R198 HydrophobicContact CZ-CG 3.94Å; R198-D202 HydrophobicContact CB-CB 4.39Å; R198-I203 HydrophobicContact CB-CG1 4.18Å; R198-D206 IonicContact CZ-OD2 3.85Å; R198-D206 IonicContact NH1-OD2 3.69Å; R198-D206 PolarHBondContact NH1-OD2 3.41Å; R198-D206 IonicContact NH2-OD2 2.72Å; R198-D206 PolarHBondContact NH2-OD2 3.27Å
199T98.6Very high97.7Very high29 Ų2950 Ų5018%0.17824%0.237CC..EExtended strand (participates in β ladder)trans-62.7148.5176.370.30000110.6S187 M188 Y201 D202 I203S187-T199 CarbonylContact O-C 3.48Å; S187-T199 WeakPolarHBondContact O-CA 3.43Å; M188-T199 HydrophobicContact SD-CG2 4Å; T199-Y201 PolarHBondContact O-N 3.12Å; T199-Y201 VanDerWaalsContact O-N 3.17Å; T199-D202 PolarHBondContact O-N 3.39Å; T199-D202 VanDerWaalsContact OG1-CG 3.32Å; T199-D202 PolarHBondContact OG1-N 2.95Å; T199-D202 PolarHBondContact OG1-OD2 2.82Å; T199-I203 WeakPolarHBondContact O-CG1 3.47Å; T199-I203 PolarHBondContact O-N 2.85Å; T199-I203 VanDerWaalsContact O-N 3.16Å
200A98.7Very high97.6Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-53.6-34.3171.600000111.6F146 F149 W184 V185 S187 L204F146-A200 HydrophobicContact CE2-CB 3.67Å; F146-A200 HydrophobicContact CZ-CB 4.03Å; F149-A200 HydrophobicContact CE1-CB 4.33Å; W184-A200 HydrophobicContact CE3-CB 4.31Å; W184-A200 HydrophobicContact CZ3-CB 4.34Å; V185-A200 PolarHBondContact O-N 2.64Å; S187-A200 PolarHBondContact O-N 3.48Å; A200-L204 WeakPolarHBondContact O-CB 3.48Å; A200-L204 VanDerWaalsContact O-CG 3.3Å; A200-L204 WeakPolarHBondContact O-CG 3.37Å; A200-L204 PolarHBondContact O-N 2.96Å
201Y98.6Very high97.6Very high20 Ų2044.9 Ų44.98%0.07822%0.221CC..Hα-helixtrans-61.2-50.9176.1-167.8-123.8000113.1L171 E172 E175 L181 V185 T199 I203 L204 R205L171-Y201 HydrophobicContact CB-CD2 4.21Å; L171-Y201 HydrophobicContact CB-CE2 3.66Å; L171-Y201 HydrophobicContact CD1-CD2 4.05Å; L171-Y201 HydrophobicContact CD1-CE2 4.32Å; E172-Y201 WeakPolarHBondContact CA-OH 3.1Å; E175-Y201 WeakPolarHBondContact OE2-CE1 3.39Å; E175-Y201 VanDerWaalsContact OE2-CZ 3.3Å; E175-Y201 PolarHBondContact OE2-OH 3.2Å; L181-Y201 HydrophobicContact CD1-CD2 4.45Å; L181-Y201 HydrophobicContact CD1-CE2 4.26Å; V185-Y201 PolarHBondContact O-N 2.89Å; T199-Y201 PolarHBondContact O-N 3.12Å; T199-Y201 VanDerWaalsContact O-N 3.17Å; Y201-I203 VanDerWaalsContact C-N 3.35Å; Y201-I203 PolarHBondContact O-N 3.35Å; Y201-L204 PolarHBondContact O-N 2.75Å; Y201-R205 PolarHBondContact O-N 3.34Å
202D98.4Very high97.6Very high44 Ų4445.2 Ų45.224%0.23522%0.223CC..Hα-helixtrans-63.8-39.8179.3-72.9-57.4000112.3R198 T199 R205 D206R198-D202 HydrophobicContact CB-CB 4.39Å; T199-D202 PolarHBondContact O-N 3.39Å; T199-D202 VanDerWaalsContact OG1-CG 3.32Å; T199-D202 PolarHBondContact OG1-N 2.95Å; T199-D202 PolarHBondContact OG1-OD2 2.82Å; D202-R205 PolarHBondContact O-N 3.17Å; D202-R205 IonicContact OD1-CZ 3.65Å; D202-R205 VanDerWaalsContact OD1-CZ 3.32Å; D202-R205 IonicContact OD1-NH1 2.68Å; D202-R205 PolarHBondContact OD1-NH1 2.85Å; D202-R205 IonicContact OD1-NH2 2.75Å; D202-R205 PolarHBondContact OD1-NH2 2.94Å; D202-D206 PolarHBondContact O-N 3.14Å
203I98.7Very high97.6Very high0 Ų043.9 Ų43.90%021%0.213CC..Hα-helixtrans-64.1-45.8176.2-60.1178.5000110.1Y143 F146 W189 D191 R198 T199 Y201 R205 D206 L207Y143-I203 HydrophobicContact CD1-CG2 3.93Å; Y143-I203 HydrophobicContact CE1-CG2 3.52Å; F146-I203 HydrophobicContact CD1-CG2 3.93Å; F146-I203 HydrophobicContact CE1-CB 4.03Å; F146-I203 HydrophobicContact CE1-CG2 3.44Å; F146-I203 VanDerWaalsContact CE1-CG2 3.44Å; F146-I203 HydrophobicContact CZ-CB 4.04Å; F146-I203 HydrophobicContact CZ-CG2 3.98Å; W189-I203 HydrophobicContact CB-CD1 3.54Å; D191-I203 HydrophobicContact CB-CD1 4.26Å; D191-I203 HydrophobicContact CB-CG1 4.3Å; R198-I203 HydrophobicContact CB-CG1 4.18Å; T199-I203 WeakPolarHBondContact O-CG1 3.47Å; T199-I203 PolarHBondContact O-N 2.85Å; T199-I203 VanDerWaalsContact O-N 3.16Å; Y201-I203 VanDerWaalsContact C-N 3.35Å; Y201-I203 PolarHBondContact O-N 3.35Å; I203-R205 PolarHBondContact O-N 3.26Å; I203-D206 PolarHBondContact O-N 2.88Å; I203-L207 HydrophobicContact CG2-CD1 3.86Å; I203-L207 HydrophobicContact CG2-CG 4.19Å; I203-L207 WeakPolarHBondContact O-CB 3.28Å; I203-L207 VanDerWaalsContact O-CG 3.3Å; I203-L207 WeakPolarHBondContact O-CG 3.27Å; I203-L207 PolarHBondContact O-N 2.99Å
204L98.6Very high97.8Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-60.1-43176.6-82.9171.9000112.1F146 L150 F159 V164 V167 Q168 L171 W184 A200 Y201 D206 L207 R208F146-L204 HydrophobicContact CE1-CG 4.46Å; F146-L204 HydrophobicContact CZ-CG 4.15Å; L150-L204 HydrophobicContact CD1-CD2 3.75Å; L150-L204 HydrophobicContact CD1-CG 4.36Å; L150-L204 HydrophobicContact CD2-CD1 4.21Å; F159-L204 HydrophobicContact CZ-CD2 4.32Å; V164-L204 HydrophobicContact CB-CD2 4.37Å; V164-L204 HydrophobicContact CG1-CD2 3.87Å; V164-L204 WeakPolarHBondContact CG1-O 3.26Å; V164-L204 HydrophobicContact CG2-CD2 4.08Å; V167-L204 HydrophobicContact CG1-CD1 4.28Å; Q168-L204 HydrophobicContact CB-CB 4.09Å; Q168-L204 HydrophobicContact CG-CB 4Å; L171-L204 HydrophobicContact CD1-CD1 4.01Å; W184-L204 HydrophobicContact CH2-CD1 3.89Å; W184-L204 HydrophobicContact CZ3-CD1 3.81Å; A200-L204 WeakPolarHBondContact O-CB 3.48Å; A200-L204 VanDerWaalsContact O-CG 3.3Å; A200-L204 WeakPolarHBondContact O-CG 3.37Å; A200-L204 PolarHBondContact O-N 2.96Å; Y201-L204 PolarHBondContact O-N 2.75Å; L204-D206 VanDerWaalsContact C-N 3.35Å; L204-D206 PolarHBondContact O-N 3.12Å; L204-L207 PolarHBondContact O-N 3.48Å; L204-R208 WeakPolarHBondContact O-CB 3.38Å; L204-R208 PolarHBondContact O-N 3.48Å
205R98.1Very high97.8Very high113 Ų11339.1 Ų39.143%0.42619%0.191SC..Hα-helixtrans-55.2-51.1177.4-175.6-178.165.3-144.1-13.4110.9Q168 Y201 D202 I203 R208 H209Q168-R205 HydrophobicContact CG-CB 4.46Å; Y201-R205 PolarHBondContact O-N 3.34Å; D202-R205 PolarHBondContact O-N 3.17Å; D202-R205 IonicContact OD1-CZ 3.65Å; D202-R205 VanDerWaalsContact OD1-CZ 3.32Å; D202-R205 IonicContact OD1-NH1 2.68Å; D202-R205 PolarHBondContact OD1-NH1 2.85Å; D202-R205 IonicContact OD1-NH2 2.75Å; D202-R205 PolarHBondContact OD1-NH2 2.94Å; I203-R205 PolarHBondContact O-N 3.26Å; R205-R208 WeakPolarHBondContact O-CB 3.24Å; R205-R208 PolarHBondContact O-N 3.17Å; R205-H209 PolarHBondContact O-N 3.21Å
206D97.7Very high97.8Very high31 Ų3135.5 Ų35.517%0.16616%0.164CC..Hα-helixtrans-72.6-38.2-177.5-63-9.1000112.6R193 R198 D202 I203 L204 R208 H209 V210R193-D206 VanDerWaalsContact CZ-CB 3.48Å; R193-D206 IonicContact CZ-OD2 3.74Å; R193-D206 VanDerWaalsContact CZ-OD2 3.3Å; R193-D206 IonicContact NH1-OD2 3.33Å; R193-D206 PolarHBondContact NH1-OD2 3.49Å; R193-D206 IonicContact NH2-OD2 3.7Å; R193-D206 PolarHBondContact NH2-OD2 2.94Å; R198-D206 IonicContact CZ-OD2 3.85Å; R198-D206 IonicContact NH1-OD2 3.69Å; R198-D206 PolarHBondContact NH1-OD2 3.41Å; R198-D206 IonicContact NH2-OD2 2.72Å; R198-D206 PolarHBondContact NH2-OD2 3.27Å; D202-D206 PolarHBondContact O-N 3.14Å; I203-D206 PolarHBondContact O-N 2.88Å; L204-D206 VanDerWaalsContact C-N 3.35Å; L204-D206 PolarHBondContact O-N 3.12Å; D206-R208 VanDerWaalsContact C-N 3.26Å; D206-R208 PolarHBondContact O-N 2.93Å; D206-H209 WeakPolarHBondContact O-CA 3.32Å; D206-H209 VanDerWaalsContact O-CB 3.28Å; D206-H209 WeakPolarHBondContact O-CB 3.41Å; D206-H209 PolarHBondContact O-N 3.21Å; D206-H209 VanDerWaalsContact O-N 3.08Å; D206-V210 WeakPolarHBondContact O-CG2 3.34Å; D206-V210 PolarHBondContact O-N 3.34Å
207L98.3Very high97.8Very high1 Ų132.7 Ų32.71%0.00516%0.155CC..Hα-helixtrans-63.4-34.4174.7-73.9-178.8000111.3I139 Y143 F146 F147 L161 V164 I203 L204 R211I139-L207 HydrophobicContact CG2-CD2 3.83Å; Y143-L207 HydrophobicContact CD1-CD1 4.41Å; Y143-L207 HydrophobicContact CD2-CD1 4.49Å; Y143-L207 HydrophobicContact CD2-CD2 4.18Å; Y143-L207 HydrophobicContact CE2-CD2 3.87Å; Y143-L207 HydrophobicContact CG-CD1 4.34Å; F146-L207 HydrophobicContact CD1-CD1 4.49Å; F146-L207 HydrophobicContact CE1-CD1 4.25Å; F147-L207 HydrophobicContact CE1-CD1 3.78Å; F147-L207 HydrophobicContact CZ-CD1 4.08Å; L161-L207 HydrophobicContact CD1-CB 4.17Å; L161-L207 HydrophobicContact CD1-CD2 4.24Å; V164-L207 HydrophobicContact CG1-CB 3.78Å; V164-L207 HydrophobicContact CG2-CB 4.32Å; V164-L207 HydrophobicContact CG2-CD1 4.48Å; I203-L207 HydrophobicContact CG2-CD1 3.86Å; I203-L207 HydrophobicContact CG2-CG 4.19Å; I203-L207 WeakPolarHBondContact O-CB 3.28Å; I203-L207 VanDerWaalsContact O-CG 3.3Å; I203-L207 WeakPolarHBondContact O-CG 3.27Å; I203-L207 PolarHBondContact O-N 2.99Å; L204-L207 PolarHBondContact O-N 3.48Å; L207-R211 VanDerWaalsContact O-CB 3.25Å; L207-R211 WeakPolarHBondContact O-CB 3.24Å; L207-R211 PolarHBondContact O-N 3.14Å
208R98Very high97.6Very high26 Ų2629.6 Ų29.610%0.09814%0.139CC..Hα-helixtrans-62.6-45.9170.1175-176.7171.3-105-15.7110.5V164 P165 Q168 E172 L204 R205 D206 R211 T212 E259V164-R208 HydrophobicContact CG1-CB 4.01Å; P165-R208 HydrophobicContact CB-CG 4.14Å; P165-R208 HydrophobicContact CG-CG 4.43Å; Q168-R208 HydrophobicContact CB-CB 4.22Å; Q168-R208 HydrophobicContact CG-CB 4.29Å; E172-R208 IonicContact OE2-NH1 3.89Å; E172-R208 PolarHBondContact OE2-NH1 2.86Å; L204-R208 WeakPolarHBondContact O-CB 3.38Å; L204-R208 PolarHBondContact O-N 3.48Å; R205-R208 WeakPolarHBondContact O-CB 3.24Å; R205-R208 PolarHBondContact O-N 3.17Å; D206-R208 VanDerWaalsContact C-N 3.26Å; D206-R208 PolarHBondContact O-N 2.93Å; R208-R211 PolarHBondContact O-N 3.33Å; R208-T212 VanDerWaalsContact O-CB 3.24Å; R208-T212 WeakPolarHBondContact O-CB 3.5Å; R208-T212 PolarHBondContact O-N 3.41Å; R208-T212 PolarHBondContact O-OG1 3.05Å; R208-E259 IonicContact CZ-OE1 2.96Å; R208-E259 VanDerWaalsContact NH2-CD 3.28Å; R208-E259 IonicContact NH2-OE1 3.18Å; R208-E259 PolarHBondContact NH2-OE1 2.65Å; R208-E259 IonicContact NH2-OE2 3.2Å; R208-E259 PolarHBondContact NH2-OE2 3.39Å
209H97.6Very high97.3Very high56 Ų5632.2 Ų32.226%0.25915%0.15SC..Hα-helixtrans-54.1-55.7178.2-170.2108.3000110.4R205 D206 R211 T212 L213 N274 L276R205-H209 PolarHBondContact O-N 3.21Å; D206-H209 WeakPolarHBondContact O-CA 3.32Å; D206-H209 VanDerWaalsContact O-CB 3.28Å; D206-H209 WeakPolarHBondContact O-CB 3.41Å; D206-H209 PolarHBondContact O-N 3.21Å; D206-H209 VanDerWaalsContact O-N 3.08Å; H209-R211 PolarHBondContact O-N 3.12Å; H209-T212 PolarHBondContact O-N 2.92Å; H209-L213 VanDerWaalsContact CD2-CD1 3.5Å; H209-L213 WeakPolarHBondContact CD2-CD1 3.45Å; H209-L213 WeakPolarHBondContact NE2-CD1 3.5Å; H209-L213 WeakPolarHBondContact O-CG 3.44Å; H209-L213 PolarHBondContact O-N 3.27Å; H209-N274 PolarHBondContact CE1-O 2.89Å; H209-N274 PolarHBondContact NE2-O 3.45Å; H209-L276 HydrophobicContact CB-CD1 4.49Å
210V97.3Very high96.9Very high43 Ų4335 Ų3526%0.26116%0.163SC..Hα-helixtrans-57.1-52.3177.7175.10000111.1I139 D206 T212 L213 L214I139-V210 HydrophobicContact CD1-CG1 3.82Å; D206-V210 WeakPolarHBondContact O-CG2 3.34Å; D206-V210 PolarHBondContact O-N 3.34Å; V210-T212 PolarHBondContact O-N 3.37Å; V210-L213 PolarHBondContact O-N 3.14Å; V210-L214 HydrophobicContact CG1-CD1 3.98Å; V210-L214 HydrophobicContact CG1-CG 4.29Å; V210-L214 WeakPolarHBondContact O-CG 3.43Å; V210-L214 PolarHBondContact O-N 3.11Å
211R97.5Very high96.8Very high47 Ų4735 Ų3518%0.17716%0.163CC..Hα-helixtrans-62-33.1-178.2179.553.2-179.3141.1-10.6112.8L161 P165 L207 R208 H209L161-R211 HydrophobicContact CD1-CB 3.99Å; L161-R211 HydrophobicContact CG-CB 4.04Å; L161-R211 HydrophobicContact CG-CG 4.17Å; P165-R211 HydrophobicContact CG-CB 4.16Å; P165-R211 HydrophobicContact CG-CG 3.73Å; L207-R211 VanDerWaalsContact O-CB 3.25Å; L207-R211 WeakPolarHBondContact O-CB 3.24Å; L207-R211 PolarHBondContact O-N 3.14Å; R208-R211 PolarHBondContact O-N 3.33Å; H209-R211 PolarHBondContact O-N 3.12Å
212T96.9Very high96.7Very high7 Ų734.1 Ų34.14%0.04316%0.16CC..Hα-helixtrans-73.2-44.6179.5-57.70000110.6R208 H209 V210 K215 F216 I263 L276R208-T212 VanDerWaalsContact O-CB 3.24Å; R208-T212 WeakPolarHBondContact O-CB 3.5Å; R208-T212 PolarHBondContact O-N 3.41Å; R208-T212 PolarHBondContact O-OG1 3.05Å; H209-T212 PolarHBondContact O-N 2.92Å; V210-T212 PolarHBondContact O-N 3.37Å; T212-K215 WeakPolarHBondContact O-CB 3.37Å; T212-K215 PolarHBondContact O-N 2.56Å; T212-F216 VanDerWaalsContact O-CD2 3.31Å; T212-F216 WeakPolarHBondContact O-CD2 3.4Å; T212-I263 HydrophobicContact CG2-CD1 3.93Å; T212-L276 HydrophobicContact CG2-CD1 4.42Å; T212-L276 HydrophobicContact CG2-CD2 3.62Å
213L97.4Very high96.5Very high18 Ų1834.9 Ų34.99%0.09416%0.159CC..Hα-helixtrans-63.2-41.3175.2-66-177000112.5H209 V210 K215 F216 N217 I263 Y267 N274 L276H209-L213 VanDerWaalsContact CD2-CD1 3.5Å; H209-L213 WeakPolarHBondContact CD2-CD1 3.45Å; H209-L213 WeakPolarHBondContact NE2-CD1 3.5Å; H209-L213 WeakPolarHBondContact O-CG 3.44Å; H209-L213 PolarHBondContact O-N 3.27Å; V210-L213 PolarHBondContact O-N 3.14Å; L213-K215 PolarHBondContact O-N 3.33Å; L213-F216 CarbonylContact O-C 3.53Å; L213-F216 PolarHBondContact O-N 3.46Å; L213-N217 VanDerWaalsContact O-CB 3.28Å; L213-N217 WeakPolarHBondContact O-CB 3.41Å; L213-N217 PolarHBondContact O-N 2.98Å; L213-I263 HydrophobicContact CD2-CG2 4.38Å; L213-Y267 HydrophobicContact CD2-CE2 4.02Å; L213-N274 HydrophobicContact CD1-CB 4.26Å; L213-N274 WeakPolarHBondContact CD1-O 3.26Å; L213-L276 HydrophobicContact CD2-CD2 3.78Å; L213-L276 HydrophobicContact CG-CD2 4.17Å
214L97.1Very high96.4Very high4 Ų435.9 Ų35.92%0.02116%0.164CC..Hα-helixtrans-54.3-22.9178.7-75.9174.8000113.5D132 I135 V136 V210 F216 N217 K221D132-L214 HydrophobicContact CB-CD2 4.45Å; I135-L214 HydrophobicContact CD1-CD2 3.95Å; I135-L214 HydrophobicContact CG2-CD1 4.07Å; I135-L214 HydrophobicContact CG2-CD2 4.25Å; V136-L214 HydrophobicContact CG2-CD1 4.37Å; V210-L214 HydrophobicContact CG1-CD1 3.98Å; V210-L214 HydrophobicContact CG1-CG 4.29Å; V210-L214 WeakPolarHBondContact O-CG 3.43Å; V210-L214 PolarHBondContact O-N 3.11Å; L214-F216 PolarHBondContact O-N 3.23Å; L214-N217 WeakPolarHBondContact CA-OD1 3.39Å; L214-N217 PolarHBondContact O-OD1 3.23Å; L214-K221 VanDerWaalsContact O-CE 3.31Å; L214-K221 WeakPolarHBondContact O-CE 3.43Å; L214-K221 PolarHBondContact O-NZ 3.14Å
215K96.1Very high96.2Very high62 Ų6235.9 Ų35.927%0.2716%0.164SC..THydrogen-bonded Turntrans-70.6-17.7176.1-64.3171.2-174172.30113.4T212 L213T212-K215 WeakPolarHBondContact O-CB 3.37Å; T212-K215 PolarHBondContact O-N 2.56Å; L213-K215 PolarHBondContact O-N 3.33Å
216F97.4Very high96.2Very high10 Ų1030.5 Ų30.54%0.04414%0.144CC..THydrogen-bonded Turntrans-140.3-14.1-166.1-50.8-68.4000114.4T117 T212 L213 L214 S218 S222 D225 G260 I263 Y267T117-F216 HydrophobicContact CG2-CE1 4.41Å; T212-F216 VanDerWaalsContact O-CD2 3.31Å; T212-F216 WeakPolarHBondContact O-CD2 3.4Å; L213-F216 CarbonylContact O-C 3.53Å; L213-F216 PolarHBondContact O-N 3.46Å; L214-F216 PolarHBondContact O-N 3.23Å; F216-S218 PolarHBondContact O-N 2.89Å; F216-S218 VanDerWaalsContact O-O 3.1Å; F216-S222 PolarHBondContact O-OG 2.92Å; F216-D225 WeakPolarHBondContact CD1-OD2 3.24Å; F216-D225 WeakPolarHBondContact CE1-OD2 3.13Å; F216-G260 VanDerWaalsContact CZ-CA 3.49Å; F216-I263 HydrophobicContact CB-CG2 3.56Å; F216-I263 HydrophobicContact CD2-CB 3.95Å; F216-I263 HydrophobicContact CD2-CD1 4.35Å; F216-I263 HydrophobicContact CD2-CG2 3.53Å; F216-I263 HydrophobicContact CE2-CB 4.48Å; F216-I263 HydrophobicContact CE2-CD1 4.46Å; F216-I263 HydrophobicContact CE2-CG2 4.47Å; F216-I263 HydrophobicContact CG-CB 4.32Å; F216-I263 HydrophobicContact CG-CG2 3.78Å; F216-Y267 HydrophobicContact CB-CD2 4.06Å; F216-Y267 WeakPolarHBondContact O-CB 3.15Å
217N95.7Very high96.1Very high57 Ų5729 Ų2931%0.30514%0.136SC..SBendtrans-68.324-168.572-34000116L213 L214 K221 Y267L213-N217 VanDerWaalsContact O-CB 3.28Å; L213-N217 WeakPolarHBondContact O-CB 3.41Å; L213-N217 PolarHBondContact O-N 2.98Å; L214-N217 WeakPolarHBondContact CA-OD1 3.39Å; L214-N217 PolarHBondContact O-OD1 3.23Å; N217-K221 VanDerWaalsContact OD1-CE 3.3Å; N217-K221 WeakPolarHBondContact OD1-CE 3.42Å; N217-K221 PolarHBondContact OD1-NZ 2.92Å; N217-Y267 HydrophobicContact CB-CE1 4.02Å; N217-Y267 HydrophobicContact CB-CE2 4.25Å
218S94.7Very high96Very high20 Ų2029.8 Ų29.814%0.1414%0.14CC..SBendtrans-140152.9167.374.40000110.3E131 F216 L220 K221 S222E131-S218 PolarHBondContact OE1-OG 3.33Å; E131-S218 WeakPolarHBondContact OE2-CB 3.35Å; E131-S218 PolarHBondContact OE2-OG 3.38Å; F216-S218 PolarHBondContact O-N 2.89Å; F216-S218 VanDerWaalsContact O-O 3.1Å; S218-L220 PolarHBondContact O-N 3.28Å; S218-K221 PolarHBondContact O-N 2.88Å; S218-K221 VanDerWaalsContact OG-CE 3.31Å; S218-K221 WeakPolarHBondContact OG-CE 3.06Å; S218-K221 WeakPolarHBondContact OG-CG 3.31Å; S218-K221 PolarHBondContact OG-N 3.04Å; S218-S222 WeakPolarHBondContact O-CB 3.29Å; S218-S222 PolarHBondContact O-N 3.32Å
219Y91.2Very high96Very high89 Ų8928.6 Ų28.635%0.34914%0.135SC..Hα-helixtrans-52-44.7172.9170.3-92.6000111.9R223 N333 V334Y219-R223 VanDerWaalsContact O-CB 3.24Å; Y219-R223 WeakPolarHBondContact O-CB 3.45Å; Y219-R223 PolarHBondContact O-N 3.23Å; Y219-N333 PolarHBondContact OH-O 3.48Å; Y219-V334 HydrophobicContact CD2-CG2 4.31Å; Y219-V334 HydrophobicContact CE2-CB 4.46Å; Y219-V334 HydrophobicContact CE2-CG2 3.51Å
220L91.7Very high96Very high88 Ų8826 Ų2646%0.46112%0.123SC..Hα-helixtrans-64.8-47.1-177.3-67.4178.1000111.9T127 S218 F224T127-L220 HydrophobicContact CG2-CB 3.89Å; T127-L220 HydrophobicContact CG2-CD1 4.31Å; S218-L220 PolarHBondContact O-N 3.28Å; L220-F224 WeakPolarHBondContact O-CD2 3.38Å; L220-F224 WeakPolarHBondContact O-CE2 3.39Å
221K95.4Very high95.9Very high0 Ų024.6 Ų24.60%012%0.117CC..Hα-helixtrans-63.9-46.3178.2-71.8-176.4-65.6-159.60111.8T127 A128 E131 D132 L214 N217 S218 R223 F224T127-K221 HydrophobicContact CG2-CG 3.86Å; A128-K221 HydrophobicContact CB-CD 3.89Å; E131-K221 WeakPolarHBondContact OE2-CE 3.4Å; E131-K221 IonicContact OE2-NZ 3.58Å; E131-K221 PolarHBondContact OE2-NZ 2.97Å; D132-K221 IonicContact OD1-NZ 2.81Å; D132-K221 PolarHBondContact OD1-NZ 2.81Å; D132-K221 IonicContact OD2-NZ 3.14Å; L214-K221 VanDerWaalsContact O-CE 3.31Å; L214-K221 WeakPolarHBondContact O-CE 3.43Å; L214-K221 PolarHBondContact O-NZ 3.14Å; N217-K221 VanDerWaalsContact OD1-CE 3.3Å; N217-K221 WeakPolarHBondContact OD1-CE 3.42Å; N217-K221 PolarHBondContact OD1-NZ 2.92Å; S218-K221 PolarHBondContact O-N 2.88Å; S218-K221 VanDerWaalsContact OG-CE 3.31Å; S218-K221 WeakPolarHBondContact OG-CE 3.06Å; S218-K221 WeakPolarHBondContact OG-CG 3.31Å; S218-K221 PolarHBondContact OG-N 3.04Å; K221-R223 PolarHBondContact O-N 2.61Å; K221-F224 PolarHBondContact O-N 2.94Å
222S96.8Very high95.8Very high0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-70.8-30.5-175.7-79.80000113.8F216 S218 F224 D225 S226 S264 Y267F216-S222 PolarHBondContact O-OG 2.92Å; S218-S222 WeakPolarHBondContact O-CB 3.29Å; S218-S222 PolarHBondContact O-N 3.32Å; S222-F224 VanDerWaalsContact C-N 3.28Å; S222-F224 PolarHBondContact O-N 2.68Å; S222-D225 PolarHBondContact O-N 3Å; S222-S226 PolarHBondContact O-N 3.1Å; S222-S264 VanDerWaalsContact CB-O 3.32Å; S222-S264 WeakPolarHBondContact CB-O 3.16Å; S222-S264 WeakPolarHBondContact OG-CA 3.48Å; S222-Y267 VanDerWaalsContact OG-CB 3.29Å; S222-Y267 WeakPolarHBondContact OG-CB 3.31Å
223R95Very high95.7Very high60 Ų6024.7 Ų24.723%0.22612%0.124CC..Hα-helixtrans-56-41.2174.1173.5166.1-167.1166.414.1112.5Y219 K221 D225 G227 N333 V334 A335 F336Y219-R223 VanDerWaalsContact O-CB 3.24Å; Y219-R223 WeakPolarHBondContact O-CB 3.45Å; Y219-R223 PolarHBondContact O-N 3.23Å; K221-R223 PolarHBondContact O-N 2.61Å; R223-D225 PolarHBondContact O-N 2.69Å; R223-G227 VanDerWaalsContact O-CA 3.24Å; R223-G227 WeakPolarHBondContact O-CA 3.37Å; R223-G227 PolarHBondContact O-N 3.14Å; R223-N333 PolarHBondContact NH1-O 3.25Å; R223-N333 PolarHBondContact NH2-O 3.22Å; R223-V334 HydrophobicContact CB-CG1 4.37Å; R223-V334 WeakPolarHBondContact CD-O 3.37Å; R223-V334 HydrophobicContact CG-CG1 4.38Å; R223-V334 VanDerWaalsContact CG-O 3.24Å; R223-V334 WeakPolarHBondContact CG-O 3.18Å; R223-V334 PolarHBondContact NE-O 2.97Å; R223-A335 PolarHBondContact NH2-O 2.9Å; R223-F336 HydrophobicContact CG-CE2 3.96Å; R223-F336 HydrophobicContact CG-CZ 3.86Å; R223-F336 VanDerWaalsContact O-CE2 3.28Å; R223-F336 WeakPolarHBondContact O-CE2 3.32Å
224F95.5Very high95.6Very high21 Ų2124.2 Ų24.29%0.09212%0.123CC..Hα-helixtrans-65-23.9-179.2-67.9-62.9000114.4C121 A123 K124 L220 K221 S222 F336 R342 A345C121-F224 WeakPolarHBondContact SG-CD1 3.28Å; C121-F224 VanDerWaalsContact SG-CG 3.55Å; A123-F224 HydrophobicContact CB-CE1 4.1Å; A123-F224 HydrophobicContact CB-CE2 4.1Å; A123-F224 HydrophobicContact CB-CZ 3.53Å; K124-F224 HydrophobicContact CB-CB 4.25Å; K124-F224 HydrophobicContact CB-CD2 3.62Å; K124-F224 HydrophobicContact CB-CE2 4.22Å; K124-F224 HydrophobicContact CB-CG 4.09Å; K124-F224 HydrophobicContact CD-CB 4.22Å; K124-F224 HydrophobicContact CG-CB 4.42Å; K124-F224 HydrophobicContact CG-CD2 4.06Å; L220-F224 WeakPolarHBondContact O-CD2 3.38Å; L220-F224 WeakPolarHBondContact O-CE2 3.39Å; K221-F224 PolarHBondContact O-N 2.94Å; S222-F224 VanDerWaalsContact C-N 3.28Å; S222-F224 PolarHBondContact O-N 2.68Å; F224-F336 HydrophobicContact CD1-CE2 4.32Å; F224-F336 AromaticContact CD1-CZ 3.96Å; F224-F336 HydrophobicContact CD1-CZ 3.96Å; F224-F336 HydrophobicContact CE1-CZ 4.23Å; F224-R342 PolarHBondContact O-NE 3.41Å; F224-R342 PolarHBondContact O-NH2 2.92Å; F224-A345 HydrophobicContact CE1-CB 4.03Å
225D95.9Very high95.4Very high1 Ų125.8 Ų25.81%0.00513%0.134CC..Hα-helixtrans-97.4-45.1-178.5-68.5-26.9000112.8T117 K124 F216 S222 R223T117-D225 WeakPolarHBondContact CA-OD1 3.37Å; T117-D225 HydrophobicContact CG2-CB 3.81Å; K124-D225 WeakPolarHBondContact CE-OD2 3.37Å; K124-D225 IonicContact NZ-OD1 3.51Å; K124-D225 PolarHBondContact NZ-OD1 2.99Å; K124-D225 IonicContact NZ-OD2 2.6Å; K124-D225 PolarHBondContact NZ-OD2 2.46Å; F216-D225 WeakPolarHBondContact CD1-OD2 3.24Å; F216-D225 WeakPolarHBondContact CE1-OD2 3.13Å; S222-D225 PolarHBondContact O-N 3Å; R223-D225 PolarHBondContact O-N 2.69Å
226S96.8Very high95.3Very high0 Ų025.6 Ų25.60%014%0.139CC..Hα-helixtrans-108.5-3.5-173.5-71.60000114.2S222 L228 L229 I230 S264 F265S222-S226 PolarHBondContact O-N 3.1Å; S226-L228 VanDerWaalsContact C-N 3.32Å; S226-L228 PolarHBondContact O-N 3.15Å; S226-L229 WeakPolarHBondContact O-CB 3.38Å; S226-L229 PolarHBondContact O-N 3.32Å; S226-L229 VanDerWaalsContact O-N 3.12Å; S226-I230 WeakPolarHBondContact O-CB 3.18Å; S226-I230 WeakPolarHBondContact O-CG1 3.4Å; S226-I230 PolarHBondContact O-N 2.58Å; S226-S264 WeakPolarHBondContact OG-CB 3.38Å; S226-S264 PolarHBondContact OG-OG 3.13Å; S226-F265 PolarHBondContact OG-N 3.38Å; S226-F265 VanDerWaalsContact OG-N 3.11Å
227G96.6Very high95.2Very high0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-59.9-39.3-179.800000113.2R223 G231 A335 F336R223-G227 VanDerWaalsContact O-CA 3.24Å; R223-G227 WeakPolarHBondContact O-CA 3.37Å; R223-G227 PolarHBondContact O-N 3.14Å; G227-G231 PolarHBondContact O-N 3.4Å; G227-A335 VanDerWaalsContact O-CA 3.27Å; G227-A335 WeakPolarHBondContact O-CA 3.23Å; G227-F336 PolarHBondContact O-N 3.39Å
228L96.4Very high95.2Very high17 Ų1727.1 Ų27.19%0.08914%0.141CC..Hα-helixtrans-68.6-39.8173.9-78.1172.9000112.3F113 L114 S226 G231 S232 F336 N338 V339 R342F113-L228 HydrophobicContact CB-CD1 3.46Å; F113-L228 VanDerWaalsContact CB-CD1 3.46Å; F113-L228 WeakPolarHBondContact O-CD1 3.31Å; L114-L228 HydrophobicContact CD1-CB 4.45Å; S226-L228 VanDerWaalsContact C-N 3.32Å; S226-L228 PolarHBondContact O-N 3.15Å; L228-G231 PolarHBondContact O-N 3.5Å; L228-S232 VanDerWaalsContact O-CB 3.28Å; L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 2.72Å; L228-F336 HydrophobicContact CD2-CB 3.65Å; L228-F336 HydrophobicContact CG-CB 3.96Å; L228-F336 HydrophobicContact CG-CD2 4.38Å; L228-N338 VanDerWaalsContact CD2-C 3.47Å; L228-V339 HydrophobicContact CD1-CG2 4.22Å; L228-R342 HydrophobicContact CD1-CB 4.04Å; L228-R342 HydrophobicContact CD1-CG 4.35Å; L228-R342 HydrophobicContact CG-CB 4.32Å
229L97.5Very high95.2Very high0 Ų027.7 Ų27.70%014%0.142CC..Hα-helixtrans-62.6-49.6177.6-177.858.2000111.9L2 L114 L115 S226 G231 S232 M233 Y255 T261 F265L2-L229 HydrophobicContact CD1-CD2 4.1Å; L2-L229 HydrophobicContact CD2-CD2 3.84Å; L114-L229 HydrophobicContact CD1-CB 4.29Å; L114-L229 HydrophobicContact CD1-CD1 4.13Å; L114-L229 HydrophobicContact CG-CD1 4.14Å; L115-L229 HydrophobicContact CD2-CD1 3.88Å; L115-L229 HydrophobicContact CD2-CD2 4.14Å; S226-L229 WeakPolarHBondContact O-CB 3.38Å; S226-L229 PolarHBondContact O-N 3.32Å; S226-L229 VanDerWaalsContact O-N 3.12Å; L229-G231 VanDerWaalsContact C-N 3.34Å; L229-G231 PolarHBondContact O-N 2.68Å; L229-S232 PolarHBondContact O-N 3.26Å; L229-M233 HydrophobicContact CD1-CE 3.88Å; L229-M233 HydrophobicContact CD2-CE 4.41Å; L229-M233 HydrophobicContact CG-CE 4.04Å; L229-M233 WeakPolarHBondContact O-CG 3.1Å; L229-M233 PolarHBondContact O-N 3.24Å; L229-Y255 HydrophobicContact CD1-CD1 4.3Å; L229-Y255 HydrophobicContact CD1-CD2 3.89Å; L229-Y255 HydrophobicContact CD1-CE1 4.19Å; L229-Y255 HydrophobicContact CD1-CE2 3.76Å; L229-Y255 HydrophobicContact CD1-CG 4.16Å; L229-T261 HydrophobicContact CD2-CG2 4.17Å; L229-F265 HydrophobicContact CD2-CD2 4.13Å; L229-F265 HydrophobicContact CG-CD2 4.49Å
230I97Very high95.3Very high1 Ų129.5 Ų29.51%0.00515%0.152CC..Hα-helixtrans-62.6-43.8178.2-69.4163.5000110.1S226 S232 M233 A234 F265 A268 L269 A331 V334S226-I230 WeakPolarHBondContact O-CB 3.18Å; S226-I230 WeakPolarHBondContact O-CG1 3.4Å; S226-I230 PolarHBondContact O-N 2.58Å; I230-S232 PolarHBondContact O-N 3.34Å; I230-M233 PolarHBondContact O-N 3.13Å; I230-A234 VanDerWaalsContact O-CB 3.3Å; I230-A234 WeakPolarHBondContact O-CB 3.2Å; I230-A234 PolarHBondContact O-N 3.05Å; I230-F265 HydrophobicContact CD1-CD2 4.18Å; I230-F265 HydrophobicContact CD1-CE2 4.4Å; I230-F265 HydrophobicContact CG1-CD2 3.67Å; I230-F265 HydrophobicContact CG1-CE2 3.58Å; I230-F265 HydrophobicContact CG1-CZ 4.5Å; I230-A268 HydrophobicContact CD1-CB 3.59Å; I230-L269 HydrophobicContact CD1-CD2 4.11Å; I230-L269 HydrophobicContact CD1-CG 3.91Å; I230-L269 HydrophobicContact CG1-CG 4.49Å; I230-L269 HydrophobicContact CG2-CD2 4.17Å; I230-A331 HydrophobicContact CG2-CB 3.82Å; I230-V334 HydrophobicContact CD1-CG1 3.79Å
231G95.5Very high95.4Very high14 Ų1427.3 Ų27.314%0.14414%0.142CC..Hα-helixtrans-60.6-42.3175.200000113.1G227 L228 L229 S235 A335G227-G231 PolarHBondContact O-N 3.4Å; L228-G231 PolarHBondContact O-N 3.5Å; L229-G231 VanDerWaalsContact C-N 3.34Å; L229-G231 PolarHBondContact O-N 2.68Å; G231-S235 WeakPolarHBondContact O-CB 3.35Å; G231-S235 PolarHBondContact O-N 3.42Å; G231-A335 VanDerWaalsContact CA-CB 3.48Å
232S94.4Very high95.4Very high41 Ų4133.2 Ų33.229%0.28717%0.168SC..Hα-helixtrans-62.8-50.6176.1179.70000111.3L228 L229 I230 A234 S235 T236L228-S232 VanDerWaalsContact O-CB 3.28Å; L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 2.72Å; L229-S232 PolarHBondContact O-N 3.26Å; I230-S232 PolarHBondContact O-N 3.34Å; S232-A234 PolarHBondContact O-N 2.05Å; S232-S235 PolarHBondContact O-N 2.85Å; S232-T236 PolarHBondContact O-N 3.31Å; S232-T236 PolarHBondContact O-OG1 3.14Å; S232-T236 VanDerWaalsContact O-OG1 3.1Å
233M95.5Very high95.1Very high15 Ų1536.1 Ų36.17%0.07420%0.198CC..Hα-helixtrans-57.5-47.5176.8-71-177.3177.900111.8L2 L229 I230 S235 T236 M237 Y255 F265 V285L2-M233 HydrophobicContact CB-CE 4.27Å; L229-M233 HydrophobicContact CD1-CE 3.88Å; L229-M233 HydrophobicContact CD2-CE 4.41Å; L229-M233 HydrophobicContact CG-CE 4.04Å; L229-M233 WeakPolarHBondContact O-CG 3.1Å; L229-M233 PolarHBondContact O-N 3.24Å; I230-M233 PolarHBondContact O-N 3.13Å; M233-S235 PolarHBondContact O-N 2.71Å; M233-T236 PolarHBondContact O-N 2.75Å; M233-M237 WeakPolarHBondContact O-CG 3.23Å; M233-M237 PolarHBondContact O-N 2.94Å; M233-Y255 HydrophobicContact CE-CD2 3.55Å; M233-Y255 HydrophobicContact CE-CE2 3.54Å; M233-Y255 HydrophobicContact CG-CE2 4.2Å; M233-F265 HydrophobicContact CE-CE2 4.25Å; M233-F265 HydrophobicContact SD-CE2 3.7Å; M233-F265 HydrophobicContact SD-CZ 4.15Å; M233-V285 HydrophobicContact SD-CG2 4.16Å
234A95.6Very high94.7Very high9 Ų939.2 Ų39.27%0.07421%0.21CC..Hα-helixtrans-62.5-40.7178.500000112.3I230 S232 R238 F327 I328 A331I230-A234 VanDerWaalsContact O-CB 3.3Å; I230-A234 WeakPolarHBondContact O-CB 3.2Å; I230-A234 PolarHBondContact O-N 3.05Å; S232-A234 PolarHBondContact O-N 2.05Å; A234-R238 VanDerWaalsContact O-CB 3.3Å; A234-R238 WeakPolarHBondContact O-CB 2.93Å; A234-R238 PolarHBondContact O-N 3.22Å; A234-F327 HydrophobicContact CB-CE1 4.2Å; A234-I328 HydrophobicContact CB-CD1 3.83Å; A234-I328 WeakPolarHBondContact O-CD1 3.33Å; A234-A331 HydrophobicContact CB-CB 3.72Å
235S93.7Very high93.7Very high37 Ų3746.6 Ų46.626%0.25925%0.25SC..Hα-helixtrans-66.3-44.8176.5-1640000111.7G231 S232 M233 M237 R238 D239G231-S235 WeakPolarHBondContact O-CB 3.35Å; G231-S235 PolarHBondContact O-N 3.42Å; S232-S235 PolarHBondContact O-N 2.85Å; M233-S235 PolarHBondContact O-N 2.71Å; S235-M237 VanDerWaalsContact C-N 3.34Å; S235-M237 PolarHBondContact O-N 3.25Å; S235-R238 PolarHBondContact O-N 3.04Å; S235-R238 PolarHBondContact OG-NH2 3.46Å; S235-R238 VanDerWaalsContact OG-NH2 3.1Å; S235-D239 VanDerWaalsContact O-CG 3.27Å; S235-D239 PolarHBondContact O-N 3.43Å
236T93.6Very high92.6Very high58 Ų5850 Ų5036%0.35627%0.274SS..Hα-helixtrans-58.2-45.8177.2-61.30000111.4S232 M233 D239 K240 V253S232-T236 PolarHBondContact O-N 3.31Å; S232-T236 PolarHBondContact O-OG1 3.14Å; S232-T236 VanDerWaalsContact O-OG1 3.1Å; M233-T236 PolarHBondContact O-N 2.75Å; T236-D239 PolarHBondContact O-N 3.02Å; T236-K240 PolarHBondContact O-N 3.19Å; T236-K240 VanDerWaalsContact O-N 3.09Å; T236-V253 HydrophobicContact CG2-CG2 4.44Å
237M95.1Very high91.8Very high19 Ų1960.7 Ų60.79%0.09432%0.32CS..Hα-helixtrans-63-43.9176.4-69-178.5175.700111.9M233 S235 D239 K240 V241 V285 L287 V297 F324 F327M233-M237 WeakPolarHBondContact O-CG 3.23Å; M233-M237 PolarHBondContact O-N 2.94Å; S235-M237 VanDerWaalsContact C-N 3.34Å; S235-M237 PolarHBondContact O-N 3.25Å; M237-D239 PolarHBondContact O-N 3.28Å; M237-K240 WeakPolarHBondContact O-CB 3.49Å; M237-K240 PolarHBondContact O-N 3.17Å; M237-V241 WeakPolarHBondContact O-CG2 3.04Å; M237-V241 PolarHBondContact O-N 2.6Å; M237-V285 HydrophobicContact CE-CB 4.23Å; M237-V285 HydrophobicContact CE-CG1 3.54Å; M237-L287 HydrophobicContact CB-CD2 4.17Å; M237-L287 HydrophobicContact CE-CB 4.39Å; M237-L287 HydrophobicContact CG-CB 4.31Å; M237-L287 HydrophobicContact CG-CD2 4.36Å; M237-L287 HydrophobicContact SD-CB 4.34Å; M237-V297 HydrophobicContact CE-CG1 4.43Å; M237-V297 HydrophobicContact SD-CG1 4.39Å; M237-V297 HydrophobicContact SD-CG2 3.87Å; M237-F324 HydrophobicContact CB-CE2 3.83Å; M237-F327 HydrophobicContact SD-CE1 3.94Å
238R95.1Very high91.1Very high79 Ų7962.3 Ų62.330%0.29834%0.337SS..Hα-helixtrans-61.7-41.8177.4-177.9-175.361.9176.2-7.7112.7A234 S235 K240 V241 K242 F324 I328A234-R238 VanDerWaalsContact O-CB 3.3Å; A234-R238 WeakPolarHBondContact O-CB 2.93Å; A234-R238 PolarHBondContact O-N 3.22Å; S235-R238 PolarHBondContact O-N 3.04Å; S235-R238 PolarHBondContact OG-NH2 3.46Å; S235-R238 VanDerWaalsContact OG-NH2 3.1Å; R238-K240 VanDerWaalsContact C-N 3.29Å; R238-K240 PolarHBondContact O-N 2.89Å; R238-V241 PolarHBondContact O-N 3.06Å; R238-K242 HydrophobicContact CG-CD 4.19Å; R238-K242 WeakPolarHBondContact O-CB 3.46Å; R238-K242 WeakPolarHBondContact O-CG 3.4Å; R238-K242 PolarHBondContact O-N 3.03Å; R238-F324 HydrophobicContact CB-CZ 3.96Å; R238-I328 HydrophobicContact CB-CD1 4.4Å
239D94.1Very high90.9Very high32 Ų3262.9 Ų62.917%0.17134%0.342CS..Hα-helixtrans-65.4-37.5178.2-67.1-29.4000110.8S235 T236 M237 K242 G243 R244S235-D239 VanDerWaalsContact O-CG 3.27Å; S235-D239 PolarHBondContact O-N 3.43Å; T236-D239 PolarHBondContact O-N 3.02Å; M237-D239 PolarHBondContact O-N 3.28Å; D239-K242 PolarHBondContact O-N 3.34Å; D239-G243 PolarHBondContact O-N 2.74Å; D239-R244 HydrophobicContact CB-CB 4.26Å; D239-R244 PolarHBondContact O-N 3.29Å; D239-R244 WeakPolarHBondContact OD1-CD 3.04Å; D239-R244 IonicContact OD1-CZ 3.02Å; D239-R244 IonicContact OD1-NE 3.58Å; D239-R244 IonicContact OD1-NH1 2.61Å; D239-R244 PolarHBondContact OD1-NH1 3.46Å
240K93.7Very high90.6Very high127 Ų12766 Ų6655%0.55236%0.361SS*.Hα-helixtrans-62.8-48.9172.3-173.969.6178.7-164.10112.5T236 M237 R238 K242 G243 T250 L287T236-K240 PolarHBondContact O-N 3.19Å; T236-K240 VanDerWaalsContact O-N 3.09Å; M237-K240 WeakPolarHBondContact O-CB 3.49Å; M237-K240 PolarHBondContact O-N 3.17Å; R238-K240 VanDerWaalsContact C-N 3.29Å; R238-K240 PolarHBondContact O-N 2.89Å; K240-K242 VanDerWaalsContact C-N 3.27Å; K240-K242 PolarHBondContact O-N 3.5Å; K240-G243 PolarHBondContact O-N 3.22Å; K240-G243 VanDerWaalsContact O-N 3.14Å; K240-T250 PolarHBondContact NZ-O 3.37Å; K240-L287 HydrophobicContact CB-CD2 4.35Å; K240-L287 HydrophobicContact CG-CD2 4.28Å
241V94.8Very high90.5Very high42 Ų4269.4 Ų69.426%0.25538%0.376SS..Hα-helixtrans-60.6-38.3178.8171.30000111.4M237 R238 G243 L287 H295 F324M237-V241 WeakPolarHBondContact O-CG2 3.04Å; M237-V241 PolarHBondContact O-N 2.6Å; R238-V241 PolarHBondContact O-N 3.06Å; V241-G243 VanDerWaalsContact C-N 3.25Å; V241-G243 PolarHBondContact O-N 2.84Å; V241-L287 HydrophobicContact CG2-CD1 4.18Å; V241-L287 HydrophobicContact CG2-CD2 3.93Å; V241-H295 HydrophobicContact CG2-CB 4.27Å; V241-F324 HydrophobicContact CB-CE1 4.19Å; V241-F324 HydrophobicContact CB-CZ 4.33Å; V241-F324 HydrophobicContact CG1-CD1 4.39Å; V241-F324 HydrophobicContact CG1-CE1 4.16Å; V241-F324 HydrophobicContact CG2-CD1 4.25Å; V241-F324 HydrophobicContact CG2-CD2 4.3Å; V241-F324 HydrophobicContact CG2-CE1 4.02Å; V241-F324 HydrophobicContact CG2-CE2 4.08Å; V241-F324 HydrophobicContact CG2-CG 4.39Å; V241-F324 HydrophobicContact CG2-CZ 3.94Å
242K94.1Very high90.6Very high124 Ų12469.4 Ų69.454%0.53937%0.373SS..THydrogen-bonded Turntrans-80.30.9179.6-69.3-172.6176.7-161.80114.3R238 D239 K240 R244R238-K242 HydrophobicContact CG-CD 4.19Å; R238-K242 WeakPolarHBondContact O-CB 3.46Å; R238-K242 WeakPolarHBondContact O-CG 3.4Å; R238-K242 PolarHBondContact O-N 3.03Å; D239-K242 PolarHBondContact O-N 3.34Å; K240-K242 VanDerWaalsContact C-N 3.27Å; K240-K242 PolarHBondContact O-N 3.5Å; K242-R244 HydrophobicContact CB-CG 4.09Å; K242-R244 PolarHBondContact O-N 3.06Å
243G90.3Very high90.8Very high62 Ų6268.7 Ų68.764%0.63937%0.366SS*.THydrogen-bonded Turntrans61.126.2-177.400000113.5D239 K240 V241 N245D239-G243 PolarHBondContact O-N 2.74Å; K240-G243 PolarHBondContact O-N 3.22Å; K240-G243 VanDerWaalsContact O-N 3.14Å; V241-G243 VanDerWaalsContact C-N 3.25Å; V241-G243 PolarHBondContact O-N 2.84Å; G243-N245 PolarHBondContact O-N 3.24Å
244R88.1Confident90.9Very high125 Ų12568 Ų6847%0.47236%0.363SS..  trans-70.7129.6178-71.3172.7174.6-177.9-10.2108.8D239 K242 S246D239-R244 HydrophobicContact CB-CB 4.26Å; D239-R244 PolarHBondContact O-N 3.29Å; D239-R244 WeakPolarHBondContact OD1-CD 3.04Å; D239-R244 IonicContact OD1-CZ 3.02Å; D239-R244 IonicContact OD1-NE 3.58Å; D239-R244 IonicContact OD1-NH1 2.61Å; D239-R244 PolarHBondContact OD1-NH1 3.46Å; K242-R244 HydrophobicContact CB-CG 4.09Å; K242-R244 PolarHBondContact O-N 3.06Å; R244-S246 VanDerWaalsContact C-N 3.31Å; R244-S246 PolarHBondContact O-N 3Å
245N73.7Confident91.1Very high175 Ų17568 Ų6894%0.93636%0.361SS*.  trans-62.794169.5-78.6-11.3000109G243G243-N245 PolarHBondContact O-N 3.24Å
246S73.2Confident91.3Very high72 Ų7266.2 Ų66.250%0.50335%0.349SS..  trans-96.9141.5171.271.40000109R244 G248R244-S246 VanDerWaalsContact C-N 3.31Å; R244-S246 PolarHBondContact O-N 3Å; S246-G248 PolarHBondContact O-N 3.08Å; S246-G248 VanDerWaalsContact O-N 3.11Å
247K79.7Confident91.6Very high225 Ų22563.5 Ų63.598%0.97833%0.332SS*.SBendtrans-72.510.8169.5-64-173.5177.2-176.10112.4
248G82.9Confident91.7Very high35 Ų3563.3 Ų63.336%0.36133%0.331SS..SBendtrans-85.9176.5-175.600000112.8S246S246-G248 PolarHBondContact O-N 3.08Å; S246-G248 VanDerWaalsContact O-N 3.11Å
249P90.6Very high91.8Very high29 Ų2961 Ų6119%0.18832%0.323CS..  trans-63.3140.6175.830.7-38.3000110.9S61 E62 M252 V253S61-P249 WeakPolarHBondContact O-CA 3.49Å; E62-P249 WeakPolarHBondContact O-CB 3.43Å; P249-M252 WeakPolarHBondContact CB-O 3.28Å; P249-V253 HydrophobicContact CG-CG2 3.52Å
250T92.3Very high92Very high66 Ų6659.9 Ų59.941%0.40532%0.319SS..SBendtrans-79.8-20.2-175.358.50000113.4S61 E62 K240S61-T250 WeakPolarHBondContact O-CB 3.33Å; S61-T250 WeakPolarHBondContact O-CG2 3.3Å; S61-T250 PolarHBondContact O-N 3.34Å; S61-T250 PolarHBondContact O-OG1 2.96Å; E62-T250 WeakPolarHBondContact CA-OG1 3.17Å; K240-T250 PolarHBondContact NZ-O 3.37Å
251K95.6Very high92.2Very high71 Ų7153.9 Ų53.931%0.30929%0.293SS..SBendtrans-129.8-49.1-171-65.9-173.9-176.9175.30115.1F53 L54 E62F53-K251 HydrophobicContact CD1-CB 4.4Å; F53-K251 HydrophobicContact CE1-CB 3.57Å; F53-K251 HydrophobicContact CE1-CD 4.38Å; F53-K251 HydrophobicContact CE1-CG 4.1Å; F53-K251 WeakPolarHBondContact CE1-O 3.27Å; F53-K251 HydrophobicContact CE2-CG 4.31Å; F53-K251 HydrophobicContact CZ-CB 3.69Å; F53-K251 HydrophobicContact CZ-CD 4.35Å; F53-K251 HydrophobicContact CZ-CG 3.83Å; F53-K251 VanDerWaalsContact O-CD 3.23Å; F53-K251 WeakPolarHBondContact O-CD 3.45Å; F53-K251 VanDerWaalsContact O-CE 3.25Å; F53-K251 WeakPolarHBondContact O-CE 3.43Å; F53-K251 PolarHBondContact O-NZ 2.95Å; L54-K251 HydrophobicContact CD2-CB 3.86Å; L54-K251 HydrophobicContact CD2-CD 4.08Å; E62-K251 HydrophobicContact CB-CB 4.27Å; E62-K251 HydrophobicContact CB-CD 4.12Å; E62-K251 HydrophobicContact CB-CG 4.35Å; E62-K251 VanDerWaalsContact CD-NZ 3.29Å; E62-K251 HydrophobicContact CG-CD 3.81Å; E62-K251 HydrophobicContact CG-CG 4.29Å; E62-K251 CarbonylContact O-C 3.59Å; E62-K251 WeakPolarHBondContact O-CA 3.38Å; E62-K251 WeakPolarHBondContact O-CB 3.33Å; E62-K251 PolarHBondContact O-N 2.94Å; E62-K251 WeakPolarHBondContact OE1-CE 3.5Å; E62-K251 IonicContact OE1-NZ 3.03Å; E62-K251 PolarHBondContact OE1-NZ 2.84Å; E62-K251 IonicContact OE2-NZ 3.94Å
252M97.3Very high92.3Very high15 Ų1551.9 Ų51.97%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-140.2138.7-171.3-173.5179.9-75.800113.7M1 Y50 L54 E62 I63 Y64 P249 M254M1-M252 HydrophobicContact SD-SD 3.97Å; Y50-M252 HydrophobicContact CD1-CE 4.46Å; Y50-M252 HydrophobicContact CD2-CE 3.37Å; Y50-M252 HydrophobicContact CE2-CE 3.53Å; Y50-M252 HydrophobicContact CG-CE 3.88Å; L54-M252 HydrophobicContact CD1-CE 3.74Å; L54-M252 HydrophobicContact CD1-SD 4.24Å; L54-M252 HydrophobicContact CD2-CB 4.26Å; L54-M252 HydrophobicContact CG-CE 4.39Å; E62-M252 PolarHBondContact O-N 2.79Å; I63-M252 CarbonylContact C-O 3.57Å; I63-M252 VanDerWaalsContact CA-O 3.29Å; I63-M252 WeakPolarHBondContact CA-O 3.35Å; I63-M252 HydrophobicContact CG2-CB 3.97Å; Y64-M252 PolarHBondContact N-O 3.26Å; P249-M252 WeakPolarHBondContact CB-O 3.28Å; M252-M254 HydrophobicContact CG-CG 3.88Å; M252-M254 HydrophobicContact SD-CG 3.72Å; M252-M254 HydrophobicContact SD-SD 3.99Å
253V97.8Very high92.5Very high25 Ų2546 Ų4615%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-115.2129.7165.6-174.60000108.9M1 Y64 T236 P249 Y255M1-V253 PolarHBondContact N-O 3.31Å; Y64-V253 HydrophobicContact CD1-CG1 4.17Å; Y64-V253 WeakPolarHBondContact O-CA 3.41Å; T236-V253 HydrophobicContact CG2-CG2 4.44Å; P249-V253 HydrophobicContact CG-CG2 3.52Å; V253-Y255 HydrophobicContact CB-CE2 4.36Å; V253-Y255 HydrophobicContact CG1-CD2 4.3Å; V253-Y255 HydrophobicContact CG1-CE1 3.83Å; V253-Y255 HydrophobicContact CG1-CE2 3.6Å; V253-Y255 WeakPolarHBondContact CG1-OH 3.34Å
254M98.6Very high92.9Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-116.4129.6-178.3-56.3176.972.500110.4M1 Y3 L46 Y64 V65 R66 N80 L81 L84 M252M1-M254 HydrophobicContact CE-CE 4.31Å; M1-M254 HydrophobicContact CG-CB 4.1Å; M1-M254 HydrophobicContact CG-CG 3.89Å; M1-M254 HydrophobicContact SD-CB 4.4Å; M1-M254 HydrophobicContact SD-CE 3.82Å; M1-M254 HydrophobicContact SD-CG 3.81Å; M1-M254 HydrophobicContact SD-SD 4.49Å; Y3-M254 HydrophobicContact CE1-CB 4.4Å; Y3-M254 HydrophobicContact CE1-CE 4.3Å; L46-M254 HydrophobicContact CD1-CE 4.16Å; Y64-M254 PolarHBondContact O-N 2.73Å; V65-M254 HydrophobicContact CG1-CB 4.16Å; V65-M254 HydrophobicContact CG2-CB 4.29Å; V65-M254 HydrophobicContact CG2-CG 4.5Å; V65-M254 HydrophobicContact CG2-SD 3.93Å; R66-M254 PolarHBondContact N-O 3.37Å; N80-M254 WeakPolarHBondContact OD1-CE 3.44Å; L81-M254 HydrophobicContact CD2-CE 4.41Å; L81-M254 HydrophobicContact CD2-SD 4.11Å; L84-M254 HydrophobicContact CD2-CE 3.79Å; L84-M254 HydrophobicContact CD2-SD 3.79Å; M252-M254 HydrophobicContact CG-CG 3.88Å; M252-M254 HydrophobicContact SD-CG 3.72Å; M252-M254 HydrophobicContact SD-SD 3.99Å
255Y98.7Very high93.4Very high10 Ų1037.2 Ų37.24%0.03920%0.203CC..EExtended strand (participates in β ladder)trans-118.3112.6177-59.1-71.5000111.2M1 L2 Y3 R66 L114 L115 L229 M233 V253M1-Y255 VanDerWaalsContact O-CD2 3.3Å; M1-Y255 WeakPolarHBondContact O-CD2 3.39Å; M1-Y255 PolarHBondContact O-N 3.21Å; L2-Y255 WeakPolarHBondContact CA-O 3.37Å; Y3-Y255 WeakPolarHBondContact CD1-O 3.33Å; Y3-Y255 PolarHBondContact N-O 3.44Å; R66-Y255 HydrophobicContact CB-CD1 3.66Å; R66-Y255 HydrophobicContact CB-CE1 3.94Å; R66-Y255 HydrophobicContact CG-CD1 3.87Å; R66-Y255 HydrophobicContact CG-CE1 4.09Å; R66-Y255 CarbonylContact O-C 3.59Å; R66-Y255 VanDerWaalsContact O-CA 3.26Å; R66-Y255 WeakPolarHBondContact O-CA 3.46Å; L114-Y255 HydrophobicContact CD2-CD1 4.34Å; L114-Y255 HydrophobicContact CD2-CE1 3.73Å; L115-Y255 HydrophobicContact CD1-CD1 4.11Å; L115-Y255 HydrophobicContact CD2-CD1 3.76Å; L115-Y255 HydrophobicContact CD2-CG 3.94Å; L115-Y255 HydrophobicContact CG-CD1 4.36Å; L229-Y255 HydrophobicContact CD1-CD1 4.3Å; L229-Y255 HydrophobicContact CD1-CD2 3.89Å; L229-Y255 HydrophobicContact CD1-CE1 4.19Å; L229-Y255 HydrophobicContact CD1-CE2 3.76Å; L229-Y255 HydrophobicContact CD1-CG 4.16Å; M233-Y255 HydrophobicContact CE-CD2 3.55Å; M233-Y255 HydrophobicContact CE-CE2 3.54Å; M233-Y255 HydrophobicContact CG-CE2 4.2Å; V253-Y255 HydrophobicContact CB-CE2 4.36Å; V253-Y255 HydrophobicContact CG1-CD2 4.3Å; V253-Y255 HydrophobicContact CG1-CE1 3.83Å; V253-Y255 HydrophobicContact CG1-CE2 3.6Å; V253-Y255 WeakPolarHBondContact CG1-OH 3.34Å
256S98.8Very high94.5Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-90.9116.6172.1-175.10000110.1Y3 R66 S67 T68 T73Y3-S256 WeakPolarHBondContact CE2-OG 3.43Å; R66-S256 PolarHBondContact O-N 3.04Å; S67-S256 WeakPolarHBondContact CA-O 2.99Å; T68-S256 PolarHBondContact N-O 3.33Å; T68-S256 VanDerWaalsContact N-O 3.17Å; T73-S256 PolarHBondContact O-OG 2.9Å
257A98.4Very high95.7Very high0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-145.8-150.4-167.300000113.2L2 Y3 H5 T73 T261L2-A257 HydrophobicContact CD1-CB 3.79Å; Y3-A257 PolarHBondContact O-N 3.3Å; H5-A257 PolarHBondContact CD2-O 3.11Å; H5-A257 PolarHBondContact N-O 3.11Å; H5-A257 VanDerWaalsContact N-O 3.09Å; T73-A257 WeakPolarHBondContact CG2-O 3.43Å; A257-T261 HydrophobicContact CB-CG2 3.85Å
258H97.9Very high96.5Very high16 Ų1616 Ų167%0.0749%0.094CC..  trans-125.4164.5-170.1-54.9-64.6000112.3H5 T68 S70 R72 T73 G260 T261 L262H5-H258 AromaticContact CD2-ND1 3.54Å; H5-H258 AromaticContact NE2-ND1 3.82Å; T68-H258 PolarHBondContact OG1-CE1 3.4Å; T68-H258 PolarHBondContact OG1-NE2 3.32Å; S70-H258 PolarHBondContact OG-CE1 3.47Å; R72-H258 PolarHBondContact NH2-CE1 3.3Å; R72-H258 PolarHBondContact NH2-ND1 3.06Å; T73-H258 VanDerWaalsContact CG2-CE1 3.47Å; T73-H258 WeakPolarHBondContact CG2-CE1 3.42Å; H258-G260 VanDerWaalsContact C-N 3.27Å; H258-G260 PolarHBondContact O-N 2.96Å; H258-T261 PolarHBondContact N-OG1 3.28Å; H258-T261 WeakPolarHBondContact O-CB 3.36Å; H258-T261 PolarHBondContact O-N 2.7Å; H258-L262 WeakPolarHBondContact O-CD1 3.49Å; H258-L262 PolarHBondContact O-N 3.16Å
259E97.4Very high97.1Very high29 Ų2914.6 Ų14.614%0.1368%0.078CC..Hα-helixtrans-45.7-51.2172-177.1178.9-110.200111.9R4 R208 T261 L262 I263R4-E259 IonicContact CZ-OE1 2.77Å; R4-E259 VanDerWaalsContact NH1-CD 3.29Å; R4-E259 IonicContact NH1-OE1 4Å; R4-E259 PolarHBondContact NH1-OE1 2.62Å; R4-E259 IonicContact NH2-OE1 3.12Å; R208-E259 IonicContact CZ-OE1 2.96Å; R208-E259 VanDerWaalsContact NH2-CD 3.28Å; R208-E259 IonicContact NH2-OE1 3.18Å; R208-E259 PolarHBondContact NH2-OE1 2.65Å; R208-E259 IonicContact NH2-OE2 3.2Å; R208-E259 PolarHBondContact NH2-OE2 3.39Å; E259-T261 VanDerWaalsContact C-N 3.28Å; E259-T261 PolarHBondContact O-N 3.13Å; E259-L262 PolarHBondContact O-N 2.69Å; E259-I263 HydrophobicContact CG-CD1 3.73Å; E259-I263 HydrophobicContact CG-CG1 4.48Å; E259-I263 VanDerWaalsContact O-CG1 3.32Å; E259-I263 WeakPolarHBondContact O-CG1 3.46Å; E259-I263 PolarHBondContact O-N 3.25Å
260G97.4Very high97.4Very high9 Ų918.7 Ų18.79%0.09310%0.098CC..Hα-helixtrans-60.7-34.1179.700000113.7F216 H258 I263 S264F216-G260 VanDerWaalsContact CZ-CA 3.49Å; H258-G260 VanDerWaalsContact C-N 3.27Å; H258-G260 PolarHBondContact O-N 2.96Å; G260-I263 PolarHBondContact O-N 3.33Å; G260-S264 WeakPolarHBondContact O-CB 3.46Å; G260-S264 PolarHBondContact O-N 3.46Å; G260-S264 PolarHBondContact O-OG 2.95Å
261T98.2Very high97.5Very high1 Ų116.3 Ų16.31%0.0068%0.083CC..Hα-helixtrans-67.3-39.1179.7-43.40000111.4L2 L115 L229 A257 H258 E259 S264 F265L2-T261 HydrophobicContact CD1-CG2 3.98Å; L2-T261 HydrophobicContact CD2-CG2 4.31Å; L115-T261 HydrophobicContact CD2-CG2 4.48Å; L115-T261 WeakPolarHBondContact O-CG2 3.24Å; L115-T261 PolarHBondContact O-OG1 3.08Å; L229-T261 HydrophobicContact CD2-CG2 4.17Å; A257-T261 HydrophobicContact CB-CG2 3.85Å; H258-T261 PolarHBondContact N-OG1 3.28Å; H258-T261 WeakPolarHBondContact O-CB 3.36Å; H258-T261 PolarHBondContact O-N 2.7Å; E259-T261 VanDerWaalsContact C-N 3.28Å; E259-T261 PolarHBondContact O-N 3.13Å; T261-S264 PolarHBondContact O-OG 3.32Å; T261-S264 VanDerWaalsContact O-OG 3.12Å; T261-F265 VanDerWaalsContact O-CB 3.29Å; T261-F265 WeakPolarHBondContact O-CB 3.42Å; T261-F265 PolarHBondContact O-N 2.95Å; T261-F265 VanDerWaalsContact O-N 3.09Å
262L98.4Very high97.5Very high0 Ų014.1 Ų14.10%08%0.077CC..Hα-helixtrans-72-44.7176.3-83.770.3000110.7L2 R4 H258 E259 S264 F265 L266 P277 S281 I283L2-L262 HydrophobicContact CD1-CD1 4.33Å; L2-L262 HydrophobicContact CD2-CD1 4.06Å; L2-L262 HydrophobicContact CD2-CG 4.19Å; L2-L262 HydrophobicContact CG-CD1 3.8Å; L2-L262 HydrophobicContact CG-CG 4.25Å; R4-L262 HydrophobicContact CB-CD1 4.27Å; R4-L262 HydrophobicContact CB-CD2 4.23Å; H258-L262 WeakPolarHBondContact O-CD1 3.49Å; H258-L262 PolarHBondContact O-N 3.16Å; E259-L262 PolarHBondContact O-N 2.69Å; L262-S264 PolarHBondContact O-N 3.37Å; L262-F265 PolarHBondContact O-N 2.89Å; L262-L266 VanDerWaalsContact O-CG 3.31Å; L262-L266 WeakPolarHBondContact O-CG 3.31Å; L262-L266 PolarHBondContact O-N 3.06Å; L262-P277 HydrophobicContact CB-CB 4.16Å; L262-P277 HydrophobicContact CB-CG 3.8Å; L262-P277 HydrophobicContact CD2-CB 3.94Å; L262-P277 HydrophobicContact CD2-CG 4.46Å; L262-S281 WeakPolarHBondContact CD2-OG 3.28Å; L262-I283 HydrophobicContact CB-CD1 4.16Å; L262-I283 HydrophobicContact CD2-CD1 4.44Å; L262-I283 HydrophobicContact CD2-CG1 4.35Å; L262-I283 HydrophobicContact CG-CD1 3.98Å; L262-I283 HydrophobicContact CG-CG1 4.35Å
263I98Very high97.4Very high1 Ų117 Ų171%0.0059%0.093CC..Hα-helixtrans-59.1-48.9177.9-64.8169.9000110.3T212 L213 F216 E259 G260 F265 L266 Y267 L276 P277T212-I263 HydrophobicContact CG2-CD1 3.93Å; L213-I263 HydrophobicContact CD2-CG2 4.38Å; F216-I263 HydrophobicContact CB-CG2 3.56Å; F216-I263 HydrophobicContact CD2-CB 3.95Å; F216-I263 HydrophobicContact CD2-CD1 4.35Å; F216-I263 HydrophobicContact CD2-CG2 3.53Å; F216-I263 HydrophobicContact CE2-CB 4.48Å; F216-I263 HydrophobicContact CE2-CD1 4.46Å; F216-I263 HydrophobicContact CE2-CG2 4.47Å; F216-I263 HydrophobicContact CG-CB 4.32Å; F216-I263 HydrophobicContact CG-CG2 3.78Å; E259-I263 HydrophobicContact CG-CD1 3.73Å; E259-I263 HydrophobicContact CG-CG1 4.48Å; E259-I263 VanDerWaalsContact O-CG1 3.32Å; E259-I263 WeakPolarHBondContact O-CG1 3.46Å; E259-I263 PolarHBondContact O-N 3.25Å; G260-I263 PolarHBondContact O-N 3.33Å; I263-F265 VanDerWaalsContact C-N 3.3Å; I263-F265 PolarHBondContact O-N 3.4Å; I263-L266 PolarHBondContact O-N 3.44Å; I263-Y267 HydrophobicContact CG2-CD2 3.52Å; I263-Y267 HydrophobicContact CG2-CE2 3.6Å; I263-Y267 WeakPolarHBondContact O-CD2 3.45Å; I263-Y267 PolarHBondContact O-N 3.16Å; I263-L276 HydrophobicContact CD1-CD2 3.61Å; I263-P277 HydrophobicContact CG1-CG 3.75Å
264S97.8Very high97.3Very high0 Ų020.1 Ų20.10%011%0.108CC..Hα-helixtrans-63.8-37.5179.5610000111.8S222 S226 G260 T261 L262 A268S222-S264 VanDerWaalsContact CB-O 3.32Å; S222-S264 WeakPolarHBondContact CB-O 3.16Å; S222-S264 WeakPolarHBondContact OG-CA 3.48Å; S226-S264 WeakPolarHBondContact OG-CB 3.38Å; S226-S264 PolarHBondContact OG-OG 3.13Å; G260-S264 WeakPolarHBondContact O-CB 3.46Å; G260-S264 PolarHBondContact O-N 3.46Å; G260-S264 PolarHBondContact O-OG 2.95Å; T261-S264 PolarHBondContact O-OG 3.32Å; T261-S264 VanDerWaalsContact O-OG 3.12Å; L262-S264 PolarHBondContact O-N 3.37Å; S264-A268 WeakPolarHBondContact O-CB 3.38Å; S264-A268 PolarHBondContact O-N 3.41Å
265F98Very high97.1Very high2 Ų224.7 Ų24.71%0.00913%0.132CC..Hα-helixtrans-61.5-47.2175.2-178-85000111.7L2 S226 L229 I230 M233 T261 L262 I263 A268 L269 I283 V285L2-F265 HydrophobicContact CD2-CB 3.99Å; L2-F265 HydrophobicContact CD2-CD2 4.25Å; L2-F265 HydrophobicContact CD2-CG 4.09Å; S226-F265 PolarHBondContact OG-N 3.38Å; S226-F265 VanDerWaalsContact OG-N 3.11Å; L229-F265 HydrophobicContact CD2-CD2 4.13Å; L229-F265 HydrophobicContact CG-CD2 4.49Å; I230-F265 HydrophobicContact CD1-CD2 4.18Å; I230-F265 HydrophobicContact CD1-CE2 4.4Å; I230-F265 HydrophobicContact CG1-CD2 3.67Å; I230-F265 HydrophobicContact CG1-CE2 3.58Å; I230-F265 HydrophobicContact CG1-CZ 4.5Å; M233-F265 HydrophobicContact CE-CE2 4.25Å; M233-F265 HydrophobicContact SD-CE2 3.7Å; M233-F265 HydrophobicContact SD-CZ 4.15Å; T261-F265 VanDerWaalsContact O-CB 3.29Å; T261-F265 WeakPolarHBondContact O-CB 3.42Å; T261-F265 PolarHBondContact O-N 2.95Å; T261-F265 VanDerWaalsContact O-N 3.09Å; L262-F265 PolarHBondContact O-N 2.89Å; I263-F265 VanDerWaalsContact C-N 3.3Å; I263-F265 PolarHBondContact O-N 3.4Å; F265-A268 PolarHBondContact O-N 2.82Å; F265-L269 HydrophobicContact CD1-CD1 4.27Å; F265-L269 HydrophobicContact CE1-CD1 3.56Å; F265-L269 HydrophobicContact CE2-CD1 4.24Å; F265-L269 HydrophobicContact CZ-CD1 3.54Å; F265-L269 PolarHBondContact O-N 2.74Å; F265-I283 HydrophobicContact CD1-CD1 3.7Å; F265-I283 HydrophobicContact CD1-CG2 4.25Å; F265-I283 HydrophobicContact CE1-CD1 4.36Å; F265-I283 HydrophobicContact CE1-CG2 3.83Å; F265-I283 HydrophobicContact CG-CD1 4.4Å; F265-V285 HydrophobicContact CE1-CG2 4.34Å; F265-V285 HydrophobicContact CZ-CG2 3.84Å
266L97.6Very high97Very high4 Ų425.6 Ų25.62%0.02114%0.138CC..Hα-helixtrans-65.9-44.9-178.8-67.8170000112.5L262 I263 L269 N270 I271 S272 I283 L312L262-L266 VanDerWaalsContact O-CG 3.31Å; L262-L266 WeakPolarHBondContact O-CG 3.31Å; L262-L266 PolarHBondContact O-N 3.06Å; I263-L266 PolarHBondContact O-N 3.44Å; L266-L269 PolarHBondContact O-N 3.18Å; L266-N270 PolarHBondContact O-N 2.91Å; L266-N270 VanDerWaalsContact O-N 3.14Å; L266-I271 HydrophobicContact CD2-CD1 4.14Å; L266-I271 HydrophobicContact CD2-CG1 3.92Å; L266-I271 WeakPolarHBondContact O-CG1 3.38Å; L266-I271 PolarHBondContact O-N 3.17Å; L266-S272 PolarHBondContact O-N 2.86Å; L266-I283 HydrophobicContact CD1-CD1 4.21Å; L266-I283 HydrophobicContact CD2-CD1 3.71Å; L266-I283 HydrophobicContact CD2-CG1 4.43Å; L266-I283 HydrophobicContact CG-CD1 3.72Å; L266-L312 HydrophobicContact CD2-CD1 3.52Å
267Y97.5Very high96.9Very high20 Ų2025.6 Ų25.68%0.07814%0.138CC..Hα-helixtrans-69.2-36.5176.8-84.8-68.8000112.7L213 F216 N217 S222 I263 L269 N270 S272 N274L213-Y267 HydrophobicContact CD2-CE2 4.02Å; F216-Y267 HydrophobicContact CB-CD2 4.06Å; F216-Y267 WeakPolarHBondContact O-CB 3.15Å; N217-Y267 HydrophobicContact CB-CE1 4.02Å; N217-Y267 HydrophobicContact CB-CE2 4.25Å; S222-Y267 VanDerWaalsContact OG-CB 3.29Å; S222-Y267 WeakPolarHBondContact OG-CB 3.31Å; I263-Y267 HydrophobicContact CG2-CD2 3.52Å; I263-Y267 HydrophobicContact CG2-CE2 3.6Å; I263-Y267 WeakPolarHBondContact O-CD2 3.45Å; I263-Y267 PolarHBondContact O-N 3.16Å; Y267-L269 PolarHBondContact O-N 3.18Å; Y267-N270 PolarHBondContact O-N 3.26Å; Y267-S272 WeakPolarHBondContact CE2-OG 3.49Å; Y267-N274 WeakPolarHBondContact CE1-OD1 3.42Å; Y267-N274 PolarHBondContact OH-OD1 3.39Å
268A96.7Very high96.8Very high2 Ų228.1 Ų28.12%0.01715%0.154CC..Hα-helixtrans-61.9-33.8177.700000112.2I230 S264 F265 V334I230-A268 HydrophobicContact CD1-CB 3.59Å; S264-A268 WeakPolarHBondContact O-CB 3.38Å; S264-A268 PolarHBondContact O-N 3.41Å; F265-A268 PolarHBondContact O-N 2.82Å; A268-V334 HydrophobicContact CB-CG1 3.74Å; A268-V334 WeakPolarHBondContact O-CG2 3.26Å
269L96.2Very high96.7Very high6 Ų628.4 Ų28.43%0.03116%0.155CC..THydrogen-bonded Turntrans-92.24.5174.7-67.1179.8000114.1I230 F265 L266 Y267 I271 I299 L314 I330I230-L269 HydrophobicContact CD1-CD2 4.11Å; I230-L269 HydrophobicContact CD1-CG 3.91Å; I230-L269 HydrophobicContact CG1-CG 4.49Å; I230-L269 HydrophobicContact CG2-CD2 4.17Å; F265-L269 HydrophobicContact CD1-CD1 4.27Å; F265-L269 HydrophobicContact CE1-CD1 3.56Å; F265-L269 HydrophobicContact CE2-CD1 4.24Å; F265-L269 HydrophobicContact CZ-CD1 3.54Å; F265-L269 PolarHBondContact O-N 2.74Å; L266-L269 PolarHBondContact O-N 3.18Å; Y267-L269 PolarHBondContact O-N 3.18Å; L269-I271 VanDerWaalsContact C-N 3.3Å; L269-I271 HydrophobicContact CB-CD1 3.92Å; L269-I271 HydrophobicContact CB-CG1 3.9Å; L269-I271 HydrophobicContact CD1-CD1 4.17Å; L269-I271 PolarHBondContact O-N 2.7Å; L269-I299 HydrophobicContact CD1-CD1 3.92Å; L269-L314 HydrophobicContact CB-CD2 4.03Å; L269-I330 HydrophobicContact CD2-CG2 4.09Å
270N95.8Very high96.7Very high115 Ų11527.3 Ų27.362%0.61515%0.152SC*.THydrogen-bonded Turntrans54.840.2-177.8-160.336.5000114.3L266 Y267 P315L266-N270 PolarHBondContact O-N 2.91Å; L266-N270 VanDerWaalsContact O-N 3.14Å; Y267-N270 PolarHBondContact O-N 3.26Å; N270-P315 HydrophobicContact CB-CG 4.42Å; N270-P315 WeakPolarHBondContact O-CG 3.07Å
271I96.1Very high96.7Very high17 Ų1727 Ų279%0.08715%0.148CC..  trans-125.420179.957.4179.4000112.1L266 L269 I299 L312 T313 L314L266-I271 HydrophobicContact CD2-CD1 4.14Å; L266-I271 HydrophobicContact CD2-CG1 3.92Å; L266-I271 WeakPolarHBondContact O-CG1 3.38Å; L266-I271 PolarHBondContact O-N 3.17Å; L269-I271 VanDerWaalsContact C-N 3.3Å; L269-I271 HydrophobicContact CB-CD1 3.92Å; L269-I271 HydrophobicContact CB-CG1 3.9Å; L269-I271 HydrophobicContact CD1-CD1 4.17Å; L269-I271 PolarHBondContact O-N 2.7Å; I271-I299 HydrophobicContact CD1-CD1 3.96Å; I271-I299 HydrophobicContact CD1-CG2 4.11Å; I271-L312 HydrophobicContact CD1-CB 4.24Å; I271-L312 HydrophobicContact CD1-CD1 3.91Å; I271-L312 HydrophobicContact CG1-CD1 4.34Å; I271-T313 WeakPolarHBondContact CG2-O 3.33Å; I271-L314 HydrophobicContact CD1-CD2 4.45Å; I271-L314 HydrophobicContact CG2-CD2 3.91Å; I271-L314 HydrophobicContact CG2-CG 4.47Å
272S95.6Very high96.7Very high25 Ų2527 Ų2718%0.17515%0.148CC..  trans-76.1136.6175.3-177.50000110.8L266 Y267 N274L266-S272 PolarHBondContact O-N 2.86Å; Y267-S272 WeakPolarHBondContact CE2-OG 3.49Å; S272-N274 VanDerWaalsContact C-N 3.29Å; S272-N274 PolarHBondContact OG-N 3.46Å; S272-N274 VanDerWaalsContact OG-N 3.17Å
273N94.3Very high96.7Very high76 Ų7627 Ų2741%0.40615%0.148SC..  trans-91.312.9170.763.9-3.2000112.8L275N273-L275 PolarHBondContact O-N 3.23Å; N273-L275 WeakPolarHBondContact OD1-CB 3.43Å; N273-L275 PolarHBondContact OD1-N 2.86Å; N273-L275 VanDerWaalsContact OD1-N 3.14Å
274N95.5Very high96.7Very high90 Ų9026.9 Ų26.948%0.48115%0.147SC..SBendtrans5824.7-176.1-54.1-60.3000114.1H209 L213 Y267 S272H209-N274 PolarHBondContact CE1-O 2.89Å; H209-N274 PolarHBondContact NE2-O 3.45Å; L213-N274 HydrophobicContact CD1-CB 4.26Å; L213-N274 WeakPolarHBondContact CD1-O 3.26Å; Y267-N274 WeakPolarHBondContact CE1-OD1 3.42Å; Y267-N274 PolarHBondContact OH-OD1 3.39Å; S272-N274 VanDerWaalsContact C-N 3.29Å; S272-N274 PolarHBondContact OG-N 3.46Å; S272-N274 VanDerWaalsContact OG-N 3.17Å
275L95.7Very high96.8Very high95 Ų9527.7 Ų27.750%0.49715%0.152SC..  trans-107.5151.4172.4-58.9179.4000111N273N273-L275 PolarHBondContact O-N 3.23Å; N273-L275 WeakPolarHBondContact OD1-CB 3.43Å; N273-L275 PolarHBondContact OD1-N 2.86Å; N273-L275 VanDerWaalsContact OD1-N 3.14Å
276L95.9Very high96.8Very high30 Ų3028.7 Ų28.716%0.15716%0.157CC..PPolyproline II helixtrans-76.8129.5173.9-61.2-173.2000110H209 T212 L213 I263H209-L276 HydrophobicContact CB-CD1 4.49Å; T212-L276 HydrophobicContact CG2-CD1 4.42Å; T212-L276 HydrophobicContact CG2-CD2 3.62Å; L213-L276 HydrophobicContact CD2-CD2 3.78Å; L213-L276 HydrophobicContact CG-CD2 4.17Å; I263-L276 HydrophobicContact CD1-CD2 3.61Å
277P96.6Very high96.8Very high0 Ų031.2 Ų31.20%017%0.17CC..PPolyproline II helixtrans-66.3122.7179.1-22.532.5000111.6R4 L262 I263 S281 Y301R4-P277 WeakPolarHBondContact CD-O 3.32Å; R4-P277 PolarHBondContact NH1-O 3.1Å; L262-P277 HydrophobicContact CB-CB 4.16Å; L262-P277 HydrophobicContact CB-CG 3.8Å; L262-P277 HydrophobicContact CD2-CB 3.94Å; L262-P277 HydrophobicContact CD2-CG 4.46Å; I263-P277 HydrophobicContact CG1-CG 3.75Å; P277-S281 VanDerWaalsContact CB-OG 3.31Å; P277-S281 WeakPolarHBondContact CB-OG 3.32Å; P277-Y301 WeakPolarHBondContact CA-OH 3.27Å; P277-Y301 VanDerWaalsContact CB-OH 3.3Å; P277-Y301 WeakPolarHBondContact CB-OH 3.36Å
278P95.9Very high96.8Very high53 Ų5334 Ų3434%0.34418%0.183SC..PPolyproline II helixtrans-66.9167-17926.8-31.7000112.1R4 S281 Y301 N303R4-P278 WeakPolarHBondContact CD-O 3.49Å; P278-S281 WeakPolarHBondContact O-CB 3.34Å; P278-S281 PolarHBondContact O-N 2.87Å; P278-S281 VanDerWaalsContact O-N 3.15Å; P278-S281 PolarHBondContact O-OG 3.15Å; P278-Y301 WeakPolarHBondContact CD-OH 3.42Å; P278-N303 HydrophobicContact CG-CB 3.9Å; P278-N303 WeakPolarHBondContact CG-O 3.07Å
279M95.9Very high96.8Very high21 Ų2141.1 Ų41.110%0.10321%0.213CC..THydrogen-bonded Turntrans-54.3144.4175.1-64.6-64.5-171.200110.6R4 R8 R173 S281R4-M279 PolarHBondContact NE-SD 3.1Å; R4-M279 PolarHBondContact NH2-SD 2.66Å; R8-M279 HydrophobicContact CG-CE 4.06Å; R173-M279 VanDerWaalsContact NH2-CE 3.29Å; M279-S281 PolarHBondContact O-N 3.47Å
280A97.5Very high96.8Very high7 Ų742.7 Ų42.76%0.05823%0.225CC..THydrogen-bonded Turntrans55.814.4-176.300000116.3R4 H5 Q38R4-A280 WeakPolarHBondContact O-CA 3.43Å; R4-A280 PolarHBondContact O-N 2.96Å; H5-A280 PolarHBondContact O-N 3.21Å; H5-A280 VanDerWaalsContact O-N 3.08Å; Q38-A280 HydrophobicContact CB-CB 3.73Å
281S97.8Very high96.8Very high1 Ų143 Ų431%0.00724%0.243CC..  trans-66.1151.4168.258.20000111.5Y3 R4 L262 P277 P278 M279 R302Y3-S281 CarbonylContact C-O 3.6Å; Y3-S281 VanDerWaalsContact CA-O 3.22Å; Y3-S281 WeakPolarHBondContact CA-O 3.3Å; Y3-S281 VanDerWaalsContact CB-O 3.31Å; Y3-S281 WeakPolarHBondContact CB-O 3.27Å; R4-S281 PolarHBondContact N-O 2.96Å; L262-S281 WeakPolarHBondContact CD2-OG 3.28Å; P277-S281 VanDerWaalsContact CB-OG 3.31Å; P277-S281 WeakPolarHBondContact CB-OG 3.32Å; P278-S281 WeakPolarHBondContact O-CB 3.34Å; P278-S281 PolarHBondContact O-N 2.87Å; P278-S281 VanDerWaalsContact O-N 3.15Å; P278-S281 PolarHBondContact O-OG 3.15Å; M279-S281 PolarHBondContact O-N 3.47Å; S281-R302 CarbonylContact C-O 3.6Å; S281-R302 WeakPolarHBondContact CA-O 3.24Å; S281-R302 WeakPolarHBondContact CB-O 3.44Å
282C98.5Very high96.8Very high1 Ų146.4 Ų46.41%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-140.3135.4-172.7-176.60000112M1 L2 L42 Y301 R302M1-C282 WeakPolarHBondContact CE-SG 3.38Å; L2-C282 CarbonylContact O-C 3.47Å; L2-C282 WeakPolarHBondContact O-CA 3.3Å; L2-C282 PolarHBondContact O-SG 2.87Å; L42-C282 HydrophobicContact CD1-CB 3.97Å; L42-C282 HydrophobicContact CD2-CB 4.07Å; C282-Y301 WeakPolarHBondContact O-CD2 3.37Å; C282-R302 HydrophobicContact CB-CB 4.46Å; C282-R302 PolarHBondContact N-O 2.94Å; C282-R302 PolarHBondContact O-N 2.89Å
283I98.5Very high96.7Very high0 Ų046.7 Ų46.70%028%0.276CS..EExtended strand (participates in β ladder)trans-101.7118.5167.8-56.3172.5000108.2M1 L2 L262 F265 L266 V285 I299 S300 Y301M1-I283 CarbonylContact C-O 3.56Å; M1-I283 WeakPolarHBondContact CA-O 3.46Å; L2-I283 HydrophobicContact CD2-CD1 4.47Å; L2-I283 PolarHBondContact N-O 3.11Å; L2-I283 PolarHBondContact O-N 3.4Å; L262-I283 HydrophobicContact CB-CD1 4.16Å; L262-I283 HydrophobicContact CD2-CD1 4.44Å; L262-I283 HydrophobicContact CD2-CG1 4.35Å; L262-I283 HydrophobicContact CG-CD1 3.98Å; L262-I283 HydrophobicContact CG-CG1 4.35Å; F265-I283 HydrophobicContact CD1-CD1 3.7Å; F265-I283 HydrophobicContact CD1-CG2 4.25Å; F265-I283 HydrophobicContact CE1-CD1 4.36Å; F265-I283 HydrophobicContact CE1-CG2 3.83Å; F265-I283 HydrophobicContact CG-CD1 4.4Å; L266-I283 HydrophobicContact CD1-CD1 4.21Å; L266-I283 HydrophobicContact CD2-CD1 3.71Å; L266-I283 HydrophobicContact CD2-CG1 4.43Å; L266-I283 HydrophobicContact CG-CD1 3.72Å; I283-V285 HydrophobicContact CG2-CG2 4.06Å; I283-I299 HydrophobicContact CG2-CG2 3.81Å; I283-S300 CarbonylContact C-O 3.49Å; I283-S300 WeakPolarHBondContact CA-O 3.33Å; I283-Y301 HydrophobicContact CG1-CD2 3.88Å; I283-Y301 HydrophobicContact CG1-CE2 4.38Å
284L98.4Very high96.9Very high0 Ų049.7 Ų49.70%029%0.285CS..EExtended strand (participates in β ladder)trans-92.7130.5172.5-54.3177000107.8M1 F45 L46 E286 I299 S300 P309M1-L284 HydrophobicContact CB-CD2 4.05Å; F45-L284 HydrophobicContact CE1-CD1 4.37Å; L46-L284 HydrophobicContact CD2-CD2 4.03Å; L284-E286 HydrophobicContact CB-CG 4.41Å; L284-I299 CarbonylContact O-C 3.45Å; L284-I299 VanDerWaalsContact O-CA 3.28Å; L284-I299 WeakPolarHBondContact O-CA 3.35Å; L284-S300 PolarHBondContact N-O 3.49Å; L284-S300 PolarHBondContact O-N 2.89Å; L284-P309 HydrophobicContact CD1-CB 4.31Å; L284-P309 HydrophobicContact CD1-CG 3.95Å
285V98.3Very high97Very high17 Ų1747.7 Ų47.710%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-129.3108.1175.6-1690000105.3M233 M237 F265 I283 V297 A298 I299 F327M233-V285 HydrophobicContact SD-CG2 4.16Å; M237-V285 HydrophobicContact CE-CB 4.23Å; M237-V285 HydrophobicContact CE-CG1 3.54Å; F265-V285 HydrophobicContact CE1-CG2 4.34Å; F265-V285 HydrophobicContact CZ-CG2 3.84Å; I283-V285 HydrophobicContact CG2-CG2 4.06Å; V285-V297 HydrophobicContact CG1-CG1 3.92Å; V285-A298 WeakPolarHBondContact CA-O 3.47Å; V285-I299 HydrophobicContact CG1-CG1 4.24Å; V285-F327 HydrophobicContact CG1-CZ 4.46Å
286E98.1Very high97.1Very high23 Ų2345.4 Ų45.411%0.10726%0.259CS..EExtended strand (participates in β ladder)trans-120.5130.5-163.7-67.1173.8131.800110R49 Y50 L284 F288 V297 A298R49-E286 IonicContact CZ-OE1 3.69Å; R49-E286 IonicContact CZ-OE2 2.72Å; R49-E286 IonicContact NE-OE1 3.46Å; R49-E286 PolarHBondContact NE-OE1 2.9Å; R49-E286 IonicContact NE-OE2 3.79Å; R49-E286 IonicContact NH2-OE1 3.83Å; R49-E286 PolarHBondContact NH2-OE1 3.49Å; R49-E286 VanDerWaalsContact NH2-OE1 3.12Å; R49-E286 IonicContact NH2-OE2 2.77Å; R49-E286 PolarHBondContact NH2-OE2 3.31Å; Y50-E286 WeakPolarHBondContact CE1-OE1 3.33Å; Y50-E286 VanDerWaalsContact CZ-OE1 3.23Å; Y50-E286 PolarHBondContact OH-OE1 2.92Å; L284-E286 HydrophobicContact CB-CG 4.41Å; E286-F288 HydrophobicContact CB-CD2 4.2Å; E286-F288 HydrophobicContact CB-CE2 3.45Å; E286-F288 VanDerWaalsContact CB-CE2 3.45Å; E286-F288 HydrophobicContact CB-CZ 4Å; E286-V297 VanDerWaalsContact O-CA 3.29Å; E286-V297 WeakPolarHBondContact O-CA 3.25Å; E286-A298 PolarHBondContact N-O 3.4Å; E286-A298 PolarHBondContact O-N 2.89Å
287L97.9Very high97.3Very high56 Ų5644 Ų4429%0.29325%0.252SS..EExtended strand (participates in β ladder)trans-97.8117.4175.817768.6000109.3M237 K240 V241 H295 F296 V297 F324M237-L287 HydrophobicContact CB-CD2 4.17Å; M237-L287 HydrophobicContact CE-CB 4.39Å; M237-L287 HydrophobicContact CG-CB 4.31Å; M237-L287 HydrophobicContact CG-CD2 4.36Å; M237-L287 HydrophobicContact SD-CB 4.34Å; K240-L287 HydrophobicContact CB-CD2 4.35Å; K240-L287 HydrophobicContact CG-CD2 4.28Å; V241-L287 HydrophobicContact CG2-CD1 4.18Å; V241-L287 HydrophobicContact CG2-CD2 3.93Å; L287-H295 HydrophobicContact CD1-CB 4.25Å; L287-F296 CarbonylContact C-O 3.6Å; L287-F296 WeakPolarHBondContact CA-O 3.43Å; L287-V297 HydrophobicContact CD1-CG2 4.2Å; L287-F324 HydrophobicContact CD1-CD2 3.78Å; L287-F324 HydrophobicContact CD1-CE2 4.28Å
288F97.5Very high97.3Very high80 Ų8044.3 Ų44.335%0.35125%0.254SS..EExtended strand (participates in β ladder)trans-104.7152.5177.7-67.5-90.7000111.2E286 H295 F296 A298 M321E286-F288 HydrophobicContact CB-CD2 4.2Å; E286-F288 HydrophobicContact CB-CE2 3.45Å; E286-F288 VanDerWaalsContact CB-CE2 3.45Å; E286-F288 HydrophobicContact CB-CZ 4Å; F288-H295 VanDerWaalsContact O-CA 3.24Å; F288-H295 WeakPolarHBondContact O-CA 3.38Å; F288-F296 HydrophobicContact CB-CB 4.43Å; F288-F296 PolarHBondContact N-O 2.88Å; F288-F296 PolarHBondContact O-N 3.31Å; F288-A298 HydrophobicContact CD2-CB 4.19Å; F288-A298 HydrophobicContact CE2-CB 3.69Å; F288-M321 HydrophobicContact CD1-CE 4.45Å; F288-M321 HydrophobicContact CD2-CE 3.95Å; F288-M321 HydrophobicContact CD2-SD 3.93Å; F288-M321 HydrophobicContact CE1-CE 4.41Å; F288-M321 HydrophobicContact CE2-CE 3.91Å; F288-M321 HydrophobicContact CE2-SD 4.31Å; F288-M321 HydrophobicContact CG-CE 4.23Å; F288-M321 HydrophobicContact CG-SD 4.38Å; F288-M321 HydrophobicContact CZ-CE 4.15Å
289K96.7Very high97.5Very high151 Ų15142 Ų4266%0.65724%0.239SC*.EExtended strand (participates in β ladder)trans-124.1124.5169-175.9-179.4178.5-177.30108.5K294K289-K294 CarbonylContact C-O 3.49Å; K289-K294 WeakPolarHBondContact CA-O 3.3Å
290S95.9Very high97.6Very high38 Ų3841.6 Ų41.627%0.26624%0.238SC..  trans-74.6166.1175.2710000111.6S292 G293 K294S290-S292 PolarHBondContact O-N 3.36Å; S290-S292 PolarHBondContact OG-N 3.36Å; S290-S292 PolarHBondContact OG-OG 3.44Å; S290-G293 PolarHBondContact O-N 3.45Å; S290-G293 PolarHBondContact OG-N 3.08Å; S290-K294 PolarHBondContact N-O 2.94Å; S290-K294 PolarHBondContact OG-N 2.71Å; S290-K294 PolarHBondContact OG-O 3.33Å
291A95.8Very high97.6Very high121 Ų12141.7 Ų41.7100%124%0.237SC*.THydrogen-bonded Turntrans-56.4-33.9171.500000112.4G293A291-G293 PolarHBondContact O-N 3.41Å
292S95.6Very high97.5Very high89 Ų8942.3 Ų42.362%0.62224%0.239SC*.THydrogen-bonded Turntrans-77.24.2175.5770000114.1S290 K294S290-S292 PolarHBondContact O-N 3.36Å; S290-S292 PolarHBondContact OG-N 3.36Å; S290-S292 PolarHBondContact OG-OG 3.44Å; S292-K294 VanDerWaalsContact C-N 3.32Å; S292-K294 PolarHBondContact O-N 2.69Å
293G95.4Very high97.2Very high32 Ų3244.6 Ų44.633%0.3325%0.252SS..SBendtrans78.15.2-179.300000116.1S290 A291 H295S290-G293 PolarHBondContact O-N 3.45Å; S290-G293 PolarHBondContact OG-N 3.08Å; A291-G293 PolarHBondContact O-N 3.41Å; G293-H295 PolarHBondContact O-CE1 3.04Å; G293-H295 PolarHBondContact O-ND1 3.23Å
294K97.3Very high96.7Very high139 Ų13948.1 Ų48.160%0.60427%0.268SS*.  trans-76.5146.3175.3-68.1-178.9-179.9179.80110.1K289 S290 S292 F296K289-K294 CarbonylContact C-O 3.49Å; K289-K294 WeakPolarHBondContact CA-O 3.3Å; S290-K294 PolarHBondContact N-O 2.94Å; S290-K294 PolarHBondContact OG-N 2.71Å; S290-K294 PolarHBondContact OG-O 3.33Å; S292-K294 VanDerWaalsContact C-N 3.32Å; S292-K294 PolarHBondContact O-N 2.69Å; K294-F296 HydrophobicContact CB-CE2 3.72Å; K294-F296 HydrophobicContact CB-CZ 4.11Å
295H98.3Very high95.9Very high47 Ų4751.1 Ų51.122%0.21829%0.286CS..EExtended strand (participates in β ladder)trans-108.1143.7-178.9-64.386.4000111.8V241 L287 F288 G293 F324V241-H295 HydrophobicContact CG2-CB 4.27Å; L287-H295 HydrophobicContact CD1-CB 4.25Å; F288-H295 VanDerWaalsContact O-CA 3.24Å; F288-H295 WeakPolarHBondContact O-CA 3.38Å; G293-H295 PolarHBondContact O-CE1 3.04Å; G293-H295 PolarHBondContact O-ND1 3.23Å; H295-F324 HydrophobicContact CB-CB 3.65Å; H295-F324 HydrophobicContact CB-CG 4.09Å; H295-F324 VanDerWaalsContact O-CB 3.25Å; H295-F324 WeakPolarHBondContact O-CB 3.49Å; H295-F324 PolarHBondContact O-N 2.62Å
296F98.3Very high95.3Very high47 Ų4760.3 Ų60.321%0.20632%0.321CS..EExtended strand (participates in β ladder)trans-137.2152.4-179.2-60.2-92.4000110.5L287 F288 K294 M321 C322 P323L287-F296 CarbonylContact C-O 3.6Å; L287-F296 WeakPolarHBondContact CA-O 3.43Å; F288-F296 HydrophobicContact CB-CB 4.43Å; F288-F296 PolarHBondContact N-O 2.88Å; F288-F296 PolarHBondContact O-N 3.31Å; K294-F296 HydrophobicContact CB-CE2 3.72Å; K294-F296 HydrophobicContact CB-CZ 4.11Å; F296-M321 HydrophobicContact CB-CB 4.48Å; F296-M321 HydrophobicContact CB-SD 4.26Å; F296-M321 HydrophobicContact CD1-CB 4.36Å; F296-C322 CarbonylContact C-O 3.54Å; F296-C322 VanDerWaalsContact CA-O 3.24Å; F296-C322 WeakPolarHBondContact CA-O 3.08Å; F296-P323 HydrophobicContact CE1-CG 4.45Å
297V98.5Very high94.7Very high1 Ų161.3 Ų61.31%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-115.9125.9172.11800000108.7M237 V285 E286 L287 I299 C322 F324 F327M237-V297 HydrophobicContact CE-CG1 4.43Å; M237-V297 HydrophobicContact SD-CG1 4.39Å; M237-V297 HydrophobicContact SD-CG2 3.87Å; V285-V297 HydrophobicContact CG1-CG1 3.92Å; E286-V297 VanDerWaalsContact O-CA 3.29Å; E286-V297 WeakPolarHBondContact O-CA 3.25Å; L287-V297 HydrophobicContact CD1-CG2 4.2Å; V297-I299 HydrophobicContact CG1-CG1 4.46Å; V297-C322 PolarHBondContact N-O 2.6Å; V297-C322 PolarHBondContact O-N 3.2Å; V297-F324 HydrophobicContact CG2-CD2 4.04Å; V297-F327 HydrophobicContact CB-CB 4.11Å; V297-F327 HydrophobicContact CB-CD1 4.28Å; V297-F327 HydrophobicContact CB-CD2 4.2Å; V297-F327 HydrophobicContact CB-CG 3.93Å; V297-F327 HydrophobicContact CG1-CD1 4.32Å; V297-F327 HydrophobicContact CG1-CD2 3.92Å; V297-F327 HydrophobicContact CG1-CE1 4.42Å; V297-F327 HydrophobicContact CG1-CE2 4.04Å; V297-F327 HydrophobicContact CG1-CG 4.06Å; V297-F327 HydrophobicContact CG1-CZ 4.28Å; V297-F327 HydrophobicContact CG2-CB 4.03Å; V297-F327 HydrophobicContact CG2-CD1 3.71Å; V297-F327 HydrophobicContact CG2-CE1 4.31Å; V297-F327 HydrophobicContact CG2-CG 3.82Å
298A98.3Very high94.4Very high7 Ų763.6 Ų63.66%0.05835%0.348CS..EExtended strand (participates in β ladder)trans-108.9140.3168.500000109.7V285 E286 F288 M321V285-A298 WeakPolarHBondContact CA-O 3.47Å; E286-A298 PolarHBondContact N-O 3.4Å; E286-A298 PolarHBondContact O-N 2.89Å; F288-A298 HydrophobicContact CD2-CB 4.19Å; F288-A298 HydrophobicContact CE2-CB 3.69Å; A298-M321 HydrophobicContact CB-CE 4.25Å; A298-M321 HydrophobicContact CB-SD 3.88Å
299I98.3Very high94.3Very high3 Ų360.6 Ų60.62%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-115133.9172-53.4-178.5000107.5L269 I271 I283 L284 V285 V297 L312 L314 F327L269-I299 HydrophobicContact CD1-CD1 3.92Å; I271-I299 HydrophobicContact CD1-CD1 3.96Å; I271-I299 HydrophobicContact CD1-CG2 4.11Å; I283-I299 HydrophobicContact CG2-CG2 3.81Å; L284-I299 CarbonylContact O-C 3.45Å; L284-I299 VanDerWaalsContact O-CA 3.28Å; L284-I299 WeakPolarHBondContact O-CA 3.35Å; V285-I299 HydrophobicContact CG1-CG1 4.24Å; V297-I299 HydrophobicContact CG1-CG1 4.46Å; I299-L312 HydrophobicContact CB-CB 4.2Å; I299-L312 HydrophobicContact CG2-CB 4.09Å; I299-L312 HydrophobicContact CG2-CD1 4Å; I299-L312 HydrophobicContact CG2-CG 4.47Å; I299-L312 PolarHBondContact O-N 3.47Å; I299-L314 HydrophobicContact CD1-CD1 4.13Å; I299-L314 HydrophobicContact CD1-CD2 4.2Å; I299-L314 HydrophobicContact CD1-CG 4.21Å; I299-F327 HydrophobicContact CD1-CE2 4.35Å
300S97.8Very high94.2Very high13 Ų1358.4 Ų58.49%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-138150174.7-51.90000111I283 L284 Y310I283-S300 CarbonylContact C-O 3.49Å; I283-S300 WeakPolarHBondContact CA-O 3.33Å; L284-S300 PolarHBondContact N-O 3.49Å; L284-S300 PolarHBondContact O-N 2.89Å; S300-Y310 CarbonylContact C-O 3.58Å; S300-Y310 WeakPolarHBondContact CA-O 3.33Å
301Y97.8Very high94.3Very high9 Ų960.6 Ų60.64%0.03534%0.339CS..EExtended strand (participates in β ladder)trans-122.1118.9-175.8-179.8-132.7000110.8P277 P278 C282 I283 N303 P309 Y310P277-Y301 WeakPolarHBondContact CA-OH 3.27Å; P277-Y301 VanDerWaalsContact CB-OH 3.3Å; P277-Y301 WeakPolarHBondContact CB-OH 3.36Å; P278-Y301 WeakPolarHBondContact CD-OH 3.42Å; C282-Y301 WeakPolarHBondContact O-CD2 3.37Å; I283-Y301 HydrophobicContact CG1-CD2 3.88Å; I283-Y301 HydrophobicContact CG1-CE2 4.38Å; Y301-N303 HydrophobicContact CD1-CB 4.17Å; Y301-N303 HydrophobicContact CE1-CB 3.53Å; Y301-N303 HydrophobicContact CE2-CB 4.28Å; Y301-P309 CarbonylContact O-C 3.56Å; Y301-P309 WeakPolarHBondContact O-CA 3.12Å; Y301-Y310 PolarHBondContact N-O 3.44Å; Y301-Y310 WeakPolarHBondContact O-CD2 3.3Å; Y301-Y310 PolarHBondContact O-N 3.42Å
302R96.9Very high94.3Very high14 Ų1456.3 Ų56.35%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-102.4108.9173.1-173.1179.3179.1-88.38.1108.7S281 C282 E304 P309S281-R302 CarbonylContact C-O 3.6Å; S281-R302 WeakPolarHBondContact CA-O 3.24Å; S281-R302 WeakPolarHBondContact CB-O 3.44Å; C282-R302 HydrophobicContact CB-CB 4.46Å; C282-R302 PolarHBondContact N-O 2.94Å; C282-R302 PolarHBondContact O-N 2.89Å; R302-E304 WeakPolarHBondContact CG-O 3.41Å; R302-E304 PolarHBondContact NE-O 3.1Å; R302-P309 HydrophobicContact CB-CB 4.14Å; R302-P309 HydrophobicContact CB-CG 4.09Å; R302-P309 HydrophobicContact CG-CG 4.48Å
303N92Very high94.4Very high50 Ų5055.1 Ų55.127%0.26729%0.288SS..  trans-115.4-1.5178.860.2-25.7000113.6P278 Y301 Y310P278-N303 HydrophobicContact CG-CB 3.9Å; P278-N303 WeakPolarHBondContact CG-O 3.07Å; Y301-N303 HydrophobicContact CD1-CB 4.17Å; Y301-N303 HydrophobicContact CE1-CB 3.53Å; Y301-N303 HydrophobicContact CE2-CB 4.28Å; N303-Y310 WeakPolarHBondContact OD1-CD2 3.36Å; N303-Y310 WeakPolarHBondContact OD1-CE2 3.45Å
304E88.5Confident94.5Very high73 Ų7353.8 Ų53.834%0.34127%0.273SS..SBendtrans-143.5170.8174.362.8179.8176.400111R302 S307 Y310R302-E304 WeakPolarHBondContact CG-O 3.41Å; R302-E304 PolarHBondContact NE-O 3.1Å; E304-S307 WeakPolarHBondContact OE1-CB 3.39Å; E304-S307 PolarHBondContact OE1-OG 2.87Å; E304-Y310 PolarHBondContact OE1-OH 3.44Å
305T81.2Confident94.4Very high63 Ų6350.3 Ų50.339%0.38727%0.265SS..SBendtrans-92.7-27.4-173.647.80000114
306Y84.6Confident94.2Very high211 Ų21153 Ų5383%0.82728%0.284SS*.SBendtrans-92.3-24.7-169.9-54.9-69.8000114.3
307S87.2Confident94.1Very high43 Ų4351.4 Ų51.430%0.30128%0.279SS..SBendtrans-101.5151.5-179-58.40000112.4E304E304-S307 WeakPolarHBondContact OE1-CB 3.39Å; E304-S307 PolarHBondContact OE1-OG 2.87Å
308P90.1Very high93.9Very high104 Ų10459.8 Ų59.868%0.67532%0.318SS*.PPolyproline II helixtrans-55.7152.5164.9-23.234000111.9Y310P308-Y310 PolarHBondContact O-N 3.45Å
309P95.8Very high93.7Very high17 Ų1764.1 Ų64.111%0.1134%0.337CS..PPolyproline II helixtrans-57.7136.7174.9-21.831.4000112.4F45 L284 Y301 R302F45-P309 HydrophobicContact CE1-CG 4.21Å; F45-P309 HydrophobicContact CE2-CG 4.23Å; F45-P309 HydrophobicContact CZ-CG 3.46Å; F45-P309 VanDerWaalsContact CZ-CG 3.46Å; L284-P309 HydrophobicContact CD1-CB 4.31Å; L284-P309 HydrophobicContact CD1-CG 3.95Å; Y301-P309 CarbonylContact O-C 3.56Å; Y301-P309 WeakPolarHBondContact O-CA 3.12Å; R302-P309 HydrophobicContact CB-CB 4.14Å; R302-P309 HydrophobicContact CB-CG 4.09Å; R302-P309 HydrophobicContact CG-CG 4.48Å
310Y95.4Very high93.5Very high105 Ų10565.9 Ų65.941%0.41235%0.352SS..EExtended strand (participates in β ladder)trans-74.2128.4177.1-61.3-84.2000110.7S300 Y301 N303 E304 P308S300-Y310 CarbonylContact C-O 3.58Å; S300-Y310 WeakPolarHBondContact CA-O 3.33Å; Y301-Y310 PolarHBondContact N-O 3.44Å; Y301-Y310 WeakPolarHBondContact O-CD2 3.3Å; Y301-Y310 PolarHBondContact O-N 3.42Å; N303-Y310 WeakPolarHBondContact OD1-CD2 3.36Å; N303-Y310 WeakPolarHBondContact OD1-CE2 3.45Å; E304-Y310 PolarHBondContact OE1-OH 3.44Å; P308-Y310 PolarHBondContact O-N 3.45Å
311P96.4Very high93.5Very high85 Ų8569.1 Ų69.155%0.55237%0.367SS*.EExtended strand (participates in β ladder)trans-66.2136.5173.427.8-33000110.5A320P311-A320 HydrophobicContact CB-CB 4.05Å
312L97.2Very high93.5Very high31 Ų3168.8 Ų68.816%0.16237%0.366CS..EExtended strand (participates in β ladder)trans-107.6118.5173.5-63.4-175.6000109.3L266 I271 I299L266-L312 HydrophobicContact CD2-CD1 3.52Å; I271-L312 HydrophobicContact CD1-CB 4.24Å; I271-L312 HydrophobicContact CD1-CD1 3.91Å; I271-L312 HydrophobicContact CG1-CD1 4.34Å; I299-L312 HydrophobicContact CB-CB 4.2Å; I299-L312 HydrophobicContact CG2-CB 4.09Å; I299-L312 HydrophobicContact CG2-CD1 4Å; I299-L312 HydrophobicContact CG2-CG 4.47Å; I299-L312 PolarHBondContact O-N 3.47Å
313T97.4Very high93.6Very high63 Ų6370.4 Ų70.439%0.38738%0.378SS..  trans-89.3120.5178.1-62.40000110.1I271 E318I271-T313 WeakPolarHBondContact CG2-O 3.33Å; T313-E318 VanDerWaalsContact CG2-C 3.44Å
314L97Very high93.9Very high5 Ų568.4 Ų68.43%0.02637%0.367CS..  trans-67.5127.5169.3-72.6164.1000108.9L269 I271 I299 T316 C317 E318 C322 F327 I330L269-L314 HydrophobicContact CB-CD2 4.03Å; I271-L314 HydrophobicContact CD1-CD2 4.45Å; I271-L314 HydrophobicContact CG2-CD2 3.91Å; I271-L314 HydrophobicContact CG2-CG 4.47Å; I299-L314 HydrophobicContact CD1-CD1 4.13Å; I299-L314 HydrophobicContact CD1-CD2 4.2Å; I299-L314 HydrophobicContact CD1-CG 4.21Å; L314-T316 VanDerWaalsContact C-N 3.26Å; L314-T316 PolarHBondContact O-N 3.16Å; L314-T316 VanDerWaalsContact O-N 3.12Å; L314-C317 HydrophobicContact CB-CB 4.34Å; L314-C317 VanDerWaalsContact CB-SG 3.59Å; L314-C317 PolarHBondContact O-N 3.39Å; L314-E318 PolarHBondContact O-N 3.38Å; L314-C322 HydrophobicContact CD1-CB 4.07Å; L314-F327 HydrophobicContact CD1-CD2 3.8Å; L314-F327 HydrophobicContact CD1-CE2 4.49Å; L314-I330 HydrophobicContact CB-CD1 4.19Å; L314-I330 HydrophobicContact CD1-CD1 4.09Å
315P95.3Very high94.3Very high66 Ų6670.8 Ų70.843%0.42938%0.378SS..G310 helixtrans-52.4-41.4-173.3-30.635.5000114.1N270 C317 E318N270-P315 HydrophobicContact CB-CG 4.42Å; N270-P315 WeakPolarHBondContact O-CG 3.07Å; P315-C317 VanDerWaalsContact C-N 3.27Å; P315-C317 PolarHBondContact O-N 2.99Å; P315-E318 PolarHBondContact O-N 3.49Å
316T95.1Very high95.1Very high102 Ų10270 Ų7063%0.62637%0.374SS*.G310 helixtrans-68.6-21.7179.5-49.60000114L314 T326L314-T316 VanDerWaalsContact C-N 3.26Å; L314-T316 PolarHBondContact O-N 3.16Å; L314-T316 VanDerWaalsContact O-N 3.12Å; T316-T326 HydrophobicContact CG2-CG2 4.08Å
317C96.4Very high95.7Very high15 Ų1560.1 Ų60.110%0.10134%0.335CS..G310 helixtrans-94.4-19.3-178.1-39.90000112.1L314 P315 Q319 C322L314-C317 HydrophobicContact CB-CB 4.34Å; L314-C317 VanDerWaalsContact CB-SG 3.59Å; L314-C317 PolarHBondContact O-N 3.39Å; P315-C317 VanDerWaalsContact C-N 3.27Å; P315-C317 PolarHBondContact O-N 2.99Å; C317-Q319 WeakPolarHBondContact O-CG 3.25Å; C317-Q319 PolarHBondContact O-N 3.39Å; C317-C322 HydrophobicContact CB-CB 3.57Å; C317-C322 WeakPolarHBondContact CB-SG 3.49Å; C317-C322 WeakPolarHBondContact SG-CB 3.34Å; C317-C322 CovalentContact SG-SG 2.04Å; C317-C322 PolarHBondContact SG-SG 3.33Å
318E92.9Very high96.2Very high176 Ų17658.3 Ų58.382%0.82232%0.322SS*.  trans57.6-5.4-179.9-59.1-178.8172.400116.1T313 L314 P315T313-E318 VanDerWaalsContact CG2-C 3.44Å; L314-E318 PolarHBondContact O-N 3.38Å; P315-E318 PolarHBondContact O-N 3.49Å
319Q94.5Very high96.6Very high99 Ų9956.4 Ų56.446%0.46331%0.311SS..SBendtrans-135157.7179.371.4-170.12400111.4C317 M321C317-Q319 WeakPolarHBondContact O-CG 3.25Å; C317-Q319 PolarHBondContact O-N 3.39Å; Q319-M321 VanDerWaalsContact C-N 3.31Å; Q319-M321 WeakPolarHBondContact CG-O 3.38Å; Q319-M321 PolarHBondContact NE2-O 3.03Å; Q319-M321 PolarHBondContact O-N 2.83Å
320A94.8Very high96.6Very high40 Ų4056.5 Ų56.533%0.33131%0.31SS..SBendtrans-64.2-32.7-178.200000113.6P311 C322P311-A320 HydrophobicContact CB-CB 4.05Å; A320-C322 PolarHBondContact O-N 2.84Å
321M96.9Very high96.6Very high80 Ų8051.6 Ų51.639%0.39429%0.291SS..EExtended strand (participates in β ladder)trans-93.189.4176.2-74.4-70.7-177.900110.4F288 F296 A298 Q319F288-M321 HydrophobicContact CD1-CE 4.45Å; F288-M321 HydrophobicContact CD2-CE 3.95Å; F288-M321 HydrophobicContact CD2-SD 3.93Å; F288-M321 HydrophobicContact CE1-CE 4.41Å; F288-M321 HydrophobicContact CE2-CE 3.91Å; F288-M321 HydrophobicContact CE2-SD 4.31Å; F288-M321 HydrophobicContact CG-CE 4.23Å; F288-M321 HydrophobicContact CG-SD 4.38Å; F288-M321 HydrophobicContact CZ-CE 4.15Å; F296-M321 HydrophobicContact CB-CB 4.48Å; F296-M321 HydrophobicContact CB-SD 4.26Å; F296-M321 HydrophobicContact CD1-CB 4.36Å; A298-M321 HydrophobicContact CB-CE 4.25Å; A298-M321 HydrophobicContact CB-SD 3.88Å; Q319-M321 VanDerWaalsContact C-N 3.31Å; Q319-M321 WeakPolarHBondContact CG-O 3.38Å; Q319-M321 PolarHBondContact NE2-O 3.03Å; Q319-M321 PolarHBondContact O-N 2.83Å
322C98.3Very high96.5Very high2 Ų254.7 Ų54.71%0.01429%0.292CS..EExtended strand (participates in β ladder)trans-76.2131.6-178.9-173.40000111.5F296 V297 L314 C317 A320 F324F296-C322 CarbonylContact C-O 3.54Å; F296-C322 VanDerWaalsContact CA-O 3.24Å; F296-C322 WeakPolarHBondContact CA-O 3.08Å; V297-C322 PolarHBondContact N-O 2.6Å; V297-C322 PolarHBondContact O-N 3.2Å; L314-C322 HydrophobicContact CD1-CB 4.07Å; C317-C322 HydrophobicContact CB-CB 3.57Å; C317-C322 WeakPolarHBondContact CB-SG 3.49Å; C317-C322 WeakPolarHBondContact SG-CB 3.34Å; C317-C322 CovalentContact SG-SG 2.04Å; C317-C322 PolarHBondContact SG-SG 3.33Å; A320-C322 PolarHBondContact O-N 2.84Å; C322-F324 PolarHBondContact O-N 2.72Å
323P98Very high96.4Very high48 Ų4857.9 Ų57.931%0.31231%0.309SS..EExtended strand (participates in β ladder)trans-54135.2171.7-25.134.3000111.6F296 E325 T326 F327F296-P323 HydrophobicContact CE1-CG 4.45Å; P323-E325 PolarHBondContact O-N 2.85Å; P323-T326 WeakPolarHBondContact O-CA 3.41Å; P323-T326 WeakPolarHBondContact O-CB 3.44Å; P323-T326 PolarHBondContact O-N 2.92Å; P323-F327 PolarHBondContact O-N 2.61Å
324F98.2Very high96.2Very high9 Ų955 Ų554%0.03929%0.291CS..Hα-helixtrans-55.2-45.7-172.1172.5-104.2000113.5M237 R238 V241 L287 H295 V297 C322 T326 F327 I328M237-F324 HydrophobicContact CB-CE2 3.83Å; R238-F324 HydrophobicContact CB-CZ 3.96Å; V241-F324 HydrophobicContact CB-CE1 4.19Å; V241-F324 HydrophobicContact CB-CZ 4.33Å; V241-F324 HydrophobicContact CG1-CD1 4.39Å; V241-F324 HydrophobicContact CG1-CE1 4.16Å; V241-F324 HydrophobicContact CG2-CD1 4.25Å; V241-F324 HydrophobicContact CG2-CD2 4.3Å; V241-F324 HydrophobicContact CG2-CE1 4.02Å; V241-F324 HydrophobicContact CG2-CE2 4.08Å; V241-F324 HydrophobicContact CG2-CG 4.39Å; V241-F324 HydrophobicContact CG2-CZ 3.94Å; L287-F324 HydrophobicContact CD1-CD2 3.78Å; L287-F324 HydrophobicContact CD1-CE2 4.28Å; H295-F324 HydrophobicContact CB-CB 3.65Å; H295-F324 HydrophobicContact CB-CG 4.09Å; H295-F324 VanDerWaalsContact O-CB 3.25Å; H295-F324 WeakPolarHBondContact O-CB 3.49Å; H295-F324 PolarHBondContact O-N 2.62Å; V297-F324 HydrophobicContact CG2-CD2 4.04Å; C322-F324 PolarHBondContact O-N 2.72Å; F324-T326 VanDerWaalsContact C-N 3.31Å; F324-T326 PolarHBondContact O-N 2.92Å; F324-F327 WeakPolarHBondContact O-CB 3.35Å; F324-F327 PolarHBondContact O-N 3.38Å; F324-I328 HydrophobicContact CD1-CG1 4.3Å; F324-I328 HydrophobicContact CD2-CG1 4.22Å; F324-I328 HydrophobicContact CE1-CD1 4.44Å; F324-I328 HydrophobicContact CE1-CG1 3.77Å; F324-I328 HydrophobicContact CE2-CD1 3.71Å; F324-I328 HydrophobicContact CE2-CG1 3.66Å; F324-I328 HydrophobicContact CZ-CD1 3.6Å; F324-I328 HydrophobicContact CZ-CG1 3.39Å; F324-I328 WeakPolarHBondContact O-CG1 3.41Å; F324-I328 PolarHBondContact O-N 2.87Å
325E97.6Very high96Very high122 Ų12255.4 Ų55.457%0.5730%0.295SS*.Hα-helixtrans-65.3-34.3179.2-66.3-57.614600112.5P323 I328 S329P323-E325 PolarHBondContact O-N 2.85Å; E325-I328 PolarHBondContact O-N 2.87Å; E325-S329 PolarHBondContact O-N 3.49Å
326T97.8Very high95.9Very high48 Ų4852.6 Ų52.629%0.29428%0.276SS..Hα-helixtrans-64.6-46173-52.90000110.7T316 P323 F324 I328 S329 I330T316-T326 HydrophobicContact CG2-CG2 4.08Å; P323-T326 WeakPolarHBondContact O-CA 3.41Å; P323-T326 WeakPolarHBondContact O-CB 3.44Å; P323-T326 PolarHBondContact O-N 2.92Å; F324-T326 VanDerWaalsContact C-N 3.31Å; F324-T326 PolarHBondContact O-N 2.92Å; T326-I328 VanDerWaalsContact C-N 3.33Å; T326-I328 PolarHBondContact O-N 3.45Å; T326-S329 WeakPolarHBondContact O-CB 3.5Å; T326-S329 PolarHBondContact O-N 2.84Å; T326-S329 VanDerWaalsContact O-N 3.16Å; T326-I330 HydrophobicContact CG2-CD1 4.24Å; T326-I330 WeakPolarHBondContact O-CG1 3.27Å; T326-I330 PolarHBondContact O-N 3.49Å
327F98Very high95.7Very high3 Ų356.5 Ų56.51%0.01329%0.285CS..Hα-helixtrans-58.3-44.3174172.5-99.4000112A234 M237 V285 V297 I299 L314 P323 F324 S329 I330 A331A234-F327 HydrophobicContact CB-CE1 4.2Å; M237-F327 HydrophobicContact SD-CE1 3.94Å; V285-F327 HydrophobicContact CG1-CZ 4.46Å; V297-F327 HydrophobicContact CB-CB 4.11Å; V297-F327 HydrophobicContact CB-CD1 4.28Å; V297-F327 HydrophobicContact CB-CD2 4.2Å; V297-F327 HydrophobicContact CB-CG 3.93Å; V297-F327 HydrophobicContact CG1-CD1 4.32Å; V297-F327 HydrophobicContact CG1-CD2 3.92Å; V297-F327 HydrophobicContact CG1-CE1 4.42Å; V297-F327 HydrophobicContact CG1-CE2 4.04Å; V297-F327 HydrophobicContact CG1-CG 4.06Å; V297-F327 HydrophobicContact CG1-CZ 4.28Å; V297-F327 HydrophobicContact CG2-CB 4.03Å; V297-F327 HydrophobicContact CG2-CD1 3.71Å; V297-F327 HydrophobicContact CG2-CE1 4.31Å; V297-F327 HydrophobicContact CG2-CG 3.82Å; I299-F327 HydrophobicContact CD1-CE2 4.35Å; L314-F327 HydrophobicContact CD1-CD2 3.8Å; L314-F327 HydrophobicContact CD1-CE2 4.49Å; P323-F327 PolarHBondContact O-N 2.61Å; F324-F327 WeakPolarHBondContact O-CB 3.35Å; F324-F327 PolarHBondContact O-N 3.38Å; F327-S329 VanDerWaalsContact C-N 3.3Å; F327-S329 PolarHBondContact O-N 3.25Å; F327-I330 PolarHBondContact O-N 3.48Å; F327-A331 WeakPolarHBondContact O-CB 3.5Å; F327-A331 PolarHBondContact O-N 3.22Å
328I97.7Very high95.5Very high5 Ų559.8 Ų59.83%0.02630%0.301CS..Hα-helixtrans-62.2-38.4177.2-68-60.5000111.4A234 R238 F324 E325 T326 A331 R332A234-I328 HydrophobicContact CB-CD1 3.83Å; A234-I328 WeakPolarHBondContact O-CD1 3.33Å; R238-I328 HydrophobicContact CB-CD1 4.4Å; F324-I328 HydrophobicContact CD1-CG1 4.3Å; F324-I328 HydrophobicContact CD2-CG1 4.22Å; F324-I328 HydrophobicContact CE1-CD1 4.44Å; F324-I328 HydrophobicContact CE1-CG1 3.77Å; F324-I328 HydrophobicContact CE2-CD1 3.71Å; F324-I328 HydrophobicContact CE2-CG1 3.66Å; F324-I328 HydrophobicContact CZ-CD1 3.6Å; F324-I328 HydrophobicContact CZ-CG1 3.39Å; F324-I328 WeakPolarHBondContact O-CG1 3.41Å; F324-I328 PolarHBondContact O-N 2.87Å; E325-I328 PolarHBondContact O-N 2.87Å; T326-I328 VanDerWaalsContact C-N 3.33Å; T326-I328 PolarHBondContact O-N 3.45Å; I328-A331 PolarHBondContact O-N 3.21Å; I328-R332 HydrophobicContact CG2-CG 4.45Å; I328-R332 WeakPolarHBondContact O-CB 3.46Å; I328-R332 VanDerWaalsContact O-CG 3.22Å; I328-R332 WeakPolarHBondContact O-CG 3.29Å; I328-R332 PolarHBondContact O-N 3.43Å
329S97.5Very high95.5Very high63 Ų6354 Ų5444%0.44128%0.278SS..Hα-helixtrans-62.2-48.5174.6-171.20000112E325 T326 F327 A331 R332 N333E325-S329 PolarHBondContact O-N 3.49Å; T326-S329 WeakPolarHBondContact O-CB 3.5Å; T326-S329 PolarHBondContact O-N 2.84Å; T326-S329 VanDerWaalsContact O-N 3.16Å; F327-S329 VanDerWaalsContact C-N 3.3Å; F327-S329 PolarHBondContact O-N 3.25Å; S329-A331 PolarHBondContact O-N 2.84Å; S329-R332 PolarHBondContact O-N 2.86Å; S329-N333 PolarHBondContact O-N 3.32Å
330I96.3Very high95.5Very high20 Ų2052.1 Ų52.110%0.10328%0.275CS..Hα-helixtrans-58.9-48.6176-62.9163000110.5L269 L314 T326 F327 R332 N333L269-I330 HydrophobicContact CD2-CG2 4.09Å; L314-I330 HydrophobicContact CB-CD1 4.19Å; L314-I330 HydrophobicContact CD1-CD1 4.09Å; T326-I330 HydrophobicContact CG2-CD1 4.24Å; T326-I330 WeakPolarHBondContact O-CG1 3.27Å; T326-I330 PolarHBondContact O-N 3.49Å; F327-I330 PolarHBondContact O-N 3.48Å; I330-R332 VanDerWaalsContact C-N 3.33Å; I330-R332 PolarHBondContact O-N 2.95Å; I330-N333 WeakPolarHBondContact O-CB 3.4Å; I330-N333 PolarHBondContact O-N 3.06Å
331A96Very high95.4Very high1 Ų153.1 Ų53.11%0.00827%0.273CS..Hα-helixtrans-61.2-39.8179.900000111.9I230 A234 F327 I328 S329 N333 V334 A335I230-A331 HydrophobicContact CG2-CB 3.82Å; A234-A331 HydrophobicContact CB-CB 3.72Å; F327-A331 WeakPolarHBondContact O-CB 3.5Å; F327-A331 PolarHBondContact O-N 3.22Å; I328-A331 PolarHBondContact O-N 3.21Å; S329-A331 PolarHBondContact O-N 2.84Å; A331-N333 VanDerWaalsContact C-N 3.26Å; A331-N333 PolarHBondContact O-N 3.08Å; A331-V334 PolarHBondContact O-N 2.88Å; A331-V334 VanDerWaalsContact O-N 3.17Å; A331-A335 WeakPolarHBondContact O-CA 3.49Å; A331-A335 WeakPolarHBondContact O-CB 3.48Å; A331-A335 PolarHBondContact O-N 2.99Å
332R94.7Very high95.3Very high151 Ų15149.5 Ų49.557%0.5726%0.255SS*.Hα-helixtrans-60.7-34.6177-79.2173-167.3171.510.6112.8I328 S329 I330 V334I328-R332 HydrophobicContact CG2-CG 4.45Å; I328-R332 WeakPolarHBondContact O-CB 3.46Å; I328-R332 VanDerWaalsContact O-CG 3.22Å; I328-R332 WeakPolarHBondContact O-CG 3.29Å; I328-R332 PolarHBondContact O-N 3.43Å; S329-R332 PolarHBondContact O-N 2.86Å; I330-R332 VanDerWaalsContact C-N 3.33Å; I330-R332 PolarHBondContact O-N 2.95Å; R332-V334 PolarHBondContact O-N 2.94Å
333N93.8Very high95Very high98 Ų9853.6 Ų53.652%0.52427%0.274SS..Hα-helixtrans-63-37.6178.6-69.6-25.2000110.9Y219 R223 S329 I330 A331Y219-N333 PolarHBondContact OH-O 3.48Å; R223-N333 PolarHBondContact NH1-O 3.25Å; R223-N333 PolarHBondContact NH2-O 3.22Å; S329-N333 PolarHBondContact O-N 3.32Å; I330-N333 WeakPolarHBondContact O-CB 3.4Å; I330-N333 PolarHBondContact O-N 3.06Å; A331-N333 VanDerWaalsContact C-N 3.26Å; A331-N333 PolarHBondContact O-N 3.08Å
334V92.7Very high94.8Very high2 Ų258 Ų581%0.01229%0.289CS..Hα-helixtrans-90.2-33.9-178.3-177.30000112.7Y219 R223 I230 A268 A331 R332Y219-V334 HydrophobicContact CD2-CG2 4.31Å; Y219-V334 HydrophobicContact CE2-CB 4.46Å; Y219-V334 HydrophobicContact CE2-CG2 3.51Å; R223-V334 HydrophobicContact CB-CG1 4.37Å; R223-V334 WeakPolarHBondContact CD-O 3.37Å; R223-V334 HydrophobicContact CG-CG1 4.38Å; R223-V334 VanDerWaalsContact CG-O 3.24Å; R223-V334 WeakPolarHBondContact CG-O 3.18Å; R223-V334 PolarHBondContact NE-O 2.97Å; I230-V334 HydrophobicContact CD1-CG1 3.79Å; A268-V334 HydrophobicContact CB-CG1 3.74Å; A268-V334 WeakPolarHBondContact O-CG2 3.26Å; A331-V334 PolarHBondContact O-N 2.88Å; A331-V334 VanDerWaalsContact O-N 3.17Å; R332-V334 PolarHBondContact O-N 2.94Å
335A93.7Very high94.6Very high13 Ų1359 Ų5911%0.10730%0.298CS..  trans-66.6153.2-163.200000113.1R223 G227 G231 A331R223-A335 PolarHBondContact NH2-O 2.9Å; G227-A335 VanDerWaalsContact O-CA 3.27Å; G227-A335 WeakPolarHBondContact O-CA 3.23Å; G231-A335 VanDerWaalsContact CA-CB 3.48Å; A331-A335 WeakPolarHBondContact O-CA 3.49Å; A331-A335 WeakPolarHBondContact O-CB 3.48Å; A331-A335 PolarHBondContact O-N 2.99Å
336F93.9Very high94.4Very high8 Ų853.3 Ų53.34%0.03527%0.272CS..  trans-106.3137.6153.6-61-64.1000107.3R223 F224 G227 L228 N338 E341 R342 A345R223-F336 HydrophobicContact CG-CE2 3.96Å; R223-F336 HydrophobicContact CG-CZ 3.86Å; R223-F336 VanDerWaalsContact O-CE2 3.28Å; R223-F336 WeakPolarHBondContact O-CE2 3.32Å; F224-F336 HydrophobicContact CD1-CE2 4.32Å; F224-F336 AromaticContact CD1-CZ 3.96Å; F224-F336 HydrophobicContact CD1-CZ 3.96Å; F224-F336 HydrophobicContact CE1-CZ 4.23Å; G227-F336 PolarHBondContact O-N 3.39Å; L228-F336 HydrophobicContact CD2-CB 3.65Å; L228-F336 HydrophobicContact CG-CB 3.96Å; L228-F336 HydrophobicContact CG-CD2 4.38Å; F336-N338 VanDerWaalsContact C-N 3.34Å; F336-E341 HydrophobicContact CB-CB 4.49Å; F336-E341 HydrophobicContact CD1-CB 4.49Å; F336-E341 HydrophobicContact CD1-CG 4.05Å; F336-R342 HydrophobicContact CB-CB 4.13Å; F336-R342 HydrophobicContact CD1-CB 4.34Å; F336-R342 HydrophobicContact CD2-CB 3.68Å; F336-R342 HydrophobicContact CD2-CG 3.82Å; F336-R342 HydrophobicContact CE2-CB 4.13Å; F336-R342 HydrophobicContact CE2-CG 3.87Å; F336-R342 HydrophobicContact CG-CB 3.79Å; F336-R342 HydrophobicContact CG-CG 4.42Å; F336-A345 HydrophobicContact CD1-CB 4.43Å; F336-A345 HydrophobicContact CE1-CB 3.44Å; F336-A345 VanDerWaalsContact CE1-CB 3.44Å; F336-A345 HydrophobicContact CZ-CB 3.82Å
337K89.9Confident94Very high183 Ų18356.6 Ų56.680%0.79629%0.287SS*.SBendtrans-73.5-30.8-179.6-61.3168.3-174.4171.50111.7E341K337-E341 WeakPolarHBondContact CA-OE2 3.46Å; K337-E341 WeakPolarHBondContact CB-OE2 3.14Å; K337-E341 WeakPolarHBondContact CG-OE2 3.26Å; K337-E341 PolarHBondContact N-OE2 3.38Å
338N91.7Very high93Very high84 Ų8460.2 Ų60.245%0.44931%0.31SS..SBendtrans-159.1171.2-179.457.851.7000111.4L228 F336 S340 E341 R342L228-N338 VanDerWaalsContact CD2-C 3.47Å; F336-N338 VanDerWaalsContact C-N 3.34Å; N338-S340 VanDerWaalsContact C-N 3.26Å; N338-S340 PolarHBondContact O-N 2.86Å; N338-S340 WeakPolarHBondContact OD1-CB 3.31Å; N338-S340 PolarHBondContact OD1-N 3.12Å; N338-S340 VanDerWaalsContact OD1-N 3.17Å; N338-E341 PolarHBondContact O-N 3.19Å; N338-E341 PolarHBondContact OD1-N 2.96Å; N338-R342 PolarHBondContact O-N 3.29Å
339V93.2Very high91Very high56 Ų5664.1 Ų64.134%0.33933%0.334SS..Hα-helixtrans-57.6-38.1-178.9176.80000112F113 L228 E341 R342 Q343F113-V339 HydrophobicContact CB-CG2 4.22Å; F113-V339 HydrophobicContact CD1-CG1 4.41Å; F113-V339 HydrophobicContact CD2-CB 4.35Å; F113-V339 HydrophobicContact CD2-CG1 3.51Å; F113-V339 HydrophobicContact CD2-CG2 3.83Å; F113-V339 HydrophobicContact CE2-CG1 3.63Å; F113-V339 HydrophobicContact CG-CG1 3.95Å; F113-V339 HydrophobicContact CG-CG2 4.25Å; F113-V339 HydrophobicContact CZ-CG1 4.14Å; L228-V339 HydrophobicContact CD1-CG2 4.22Å; V339-E341 PolarHBondContact O-N 3.26Å; V339-R342 PolarHBondContact O-N 3.32Å; V339-Q343 HydrophobicContact CG1-CG 4.14Å; V339-Q343 WeakPolarHBondContact O-CB 3.45Å; V339-Q343 WeakPolarHBondContact O-CG 3.18Å; V339-Q343 PolarHBondContact O-N 3.08Å
340S94.1Very high88.8Confident58 Ų5873.5 Ų73.541%0.40637%0.366SS..Hα-helixtrans-62.4-43.2179.1-174.60000112.1N338 Q343 K344N338-S340 VanDerWaalsContact C-N 3.26Å; N338-S340 PolarHBondContact O-N 2.86Å; N338-S340 WeakPolarHBondContact OD1-CB 3.31Å; N338-S340 PolarHBondContact OD1-N 3.12Å; N338-S340 VanDerWaalsContact OD1-N 3.17Å; S340-Q343 PolarHBondContact O-N 3.33Å; S340-K344 WeakPolarHBondContact O-CB 3.46Å; S340-K344 WeakPolarHBondContact O-CG 3.4Å; S340-K344 PolarHBondContact O-N 3.32Å
341E94.1Very high88.4Confident61 Ų6176.2 Ų76.229%0.28538%0.38SS..Hα-helixtrans-63.2-42.8176.2-168.5-178.2179.100111.6F336 K337 N338 V339 K344 A345F336-E341 HydrophobicContact CB-CB 4.49Å; F336-E341 HydrophobicContact CD1-CB 4.49Å; F336-E341 HydrophobicContact CD1-CG 4.05Å; K337-E341 WeakPolarHBondContact CA-OE2 3.46Å; K337-E341 WeakPolarHBondContact CB-OE2 3.14Å; K337-E341 WeakPolarHBondContact CG-OE2 3.26Å; K337-E341 PolarHBondContact N-OE2 3.38Å; N338-E341 PolarHBondContact O-N 3.19Å; N338-E341 PolarHBondContact OD1-N 2.96Å; V339-E341 PolarHBondContact O-N 3.26Å; E341-K344 PolarHBondContact O-N 3.26Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.02Å
342R93.5Very high88Confident5 Ų580.1 Ų80.12%0.01940%0.399CS..Hα-helixtrans-59.4-49.3173.7179.6-169173.1-80.6-2.9111.2F113 F224 L228 F336 N338 V339 K344 A345 C346F113-R342 VanDerWaalsContact CD1-NH1 3.35Å; F224-R342 PolarHBondContact O-NE 3.41Å; F224-R342 PolarHBondContact O-NH2 2.92Å; L228-R342 HydrophobicContact CD1-CB 4.04Å; L228-R342 HydrophobicContact CD1-CG 4.35Å; L228-R342 HydrophobicContact CG-CB 4.32Å; F336-R342 HydrophobicContact CB-CB 4.13Å; F336-R342 HydrophobicContact CD1-CB 4.34Å; F336-R342 HydrophobicContact CD2-CB 3.68Å; F336-R342 HydrophobicContact CD2-CG 3.82Å; F336-R342 HydrophobicContact CE2-CB 4.13Å; F336-R342 HydrophobicContact CE2-CG 3.87Å; F336-R342 HydrophobicContact CG-CB 3.79Å; F336-R342 HydrophobicContact CG-CG 4.42Å; N338-R342 PolarHBondContact O-N 3.29Å; V339-R342 PolarHBondContact O-N 3.32Å; R342-K344 PolarHBondContact O-N 3.37Å; R342-A345 PolarHBondContact O-N 3.18Å; R342-C346 WeakPolarHBondContact O-CB 3.5Å; R342-C346 PolarHBondContact O-N 3.38Å
343Q92.7Very high87.6Confident88 Ų8876.2 Ų76.241%0.41139%0.39SS..Hα-helixtrans-61.7-43.7-177.9-76.1173-3300111.5V339 S340 C346 N347V339-Q343 HydrophobicContact CG1-CG 4.14Å; V339-Q343 WeakPolarHBondContact O-CB 3.45Å; V339-Q343 WeakPolarHBondContact O-CG 3.18Å; V339-Q343 PolarHBondContact O-N 3.08Å; S340-Q343 PolarHBondContact O-N 3.33Å; Q343-C346 PolarHBondContact O-N 3.41Å; Q343-N347 PolarHBondContact O-N 2.94Å; Q343-N347 VanDerWaalsContact O-N 3.14Å; Q343-N347 PolarHBondContact O-ND2 2.93Å
344K94.2Very high87.3Confident141 Ų14174.9 Ų74.961%0.61338%0.382SS*.Hα-helixtrans-56.9-51172.4-73.1176.7-176.9-1770110.7S340 E341 R342 C346 N347 V348S340-K344 WeakPolarHBondContact O-CB 3.46Å; S340-K344 WeakPolarHBondContact O-CG 3.4Å; S340-K344 PolarHBondContact O-N 3.32Å; E341-K344 PolarHBondContact O-N 3.26Å; R342-K344 PolarHBondContact O-N 3.37Å; K344-C346 VanDerWaalsContact C-N 3.26Å; K344-C346 PolarHBondContact O-N 3.35Å; K344-N347 PolarHBondContact O-N 3.06Å; K344-V348 WeakPolarHBondContact O-CG2 3.45Å; K344-V348 PolarHBondContact O-N 3.01Å
345A93.3Very high86.9Confident29 Ų2979.4 Ų79.424%0.2441%0.405CS..Hα-helixtrans-60.7-33.8178.500000113.2A123 F224 F336 E341 R342 N347A123-A345 WeakPolarHBondContact CB-O 3.48Å; F224-A345 HydrophobicContact CE1-CB 4.03Å; F336-A345 HydrophobicContact CD1-CB 4.43Å; F336-A345 HydrophobicContact CE1-CB 3.44Å; F336-A345 VanDerWaalsContact CE1-CB 3.44Å; F336-A345 HydrophobicContact CZ-CB 3.82Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.02Å; R342-A345 PolarHBondContact O-N 3.18Å; A345-N347 VanDerWaalsContact C-N 3.28Å; A345-N347 PolarHBondContact O-N 2.76Å
346C92.9Very high86.5Confident3 Ų383.9 Ų83.92%0.0243%0.425CS..Hα-helixtrans-69.8-23.1175.3-82.30000114C121 R122 A123 R342 Q343 K344C121-C346 HydrophobicContact CB-CB 3.89Å; C121-C346 WeakPolarHBondContact CB-SG 3.26Å; C121-C346 WeakPolarHBondContact SG-CA 3.16Å; C121-C346 WeakPolarHBondContact SG-CB 3.21Å; C121-C346 CovalentContact SG-SG 2.05Å; C121-C346 PolarHBondContact SG-SG 2.81Å; R122-C346 PolarHBondContact N-O 2.96Å; A123-C346 PolarHBondContact N-O 3.49Å; R342-C346 WeakPolarHBondContact O-CB 3.5Å; R342-C346 PolarHBondContact O-N 3.38Å; Q343-C346 PolarHBondContact O-N 3.41Å; K344-C346 VanDerWaalsContact C-N 3.26Å; K344-C346 PolarHBondContact O-N 3.35Å
347N89.7Confident85.9Confident116 Ų11689.3 Ų89.362%0.6245%0.452SS*.Hα-helixtrans-99.2-16.1-178.3-68.3-17.3000113.5Q343 K344 A345 V349Q343-N347 PolarHBondContact O-N 2.94Å; Q343-N347 VanDerWaalsContact O-N 3.14Å; Q343-N347 PolarHBondContact O-ND2 2.93Å; K344-N347 PolarHBondContact O-N 3.06Å; A345-N347 VanDerWaalsContact C-N 3.28Å; A345-N347 PolarHBondContact O-N 2.76Å; N347-V349 PolarHBondContact O-N 3.04Å
348V77.7Confident85.6Confident79 Ų7982.1 Ų82.148%0.47943%0.426SS..  trans-72.7120.5175.8172.70000109.7K344 K350K344-V348 WeakPolarHBondContact O-CG2 3.45Å; K344-V348 PolarHBondContact O-N 3.01Å; V348-K350 HydrophobicContact CG1-CG 4.12Å
349V56.4Low85.1Confident87 Ų8781.9 Ų81.953%0.52742%0.424SS..  trans-85.1117.2165.9-1740000106.6L126 N347L126-V349 HydrophobicContact CD1-CG1 4.35Å; L126-V349 HydrophobicContact CD1-CG2 4.45Å; N347-V349 PolarHBondContact O-N 3.04Å
350K49.8Very low84.4Confident260 Ų26084.3 Ų84.3100%1.1343%0.432SS*.  trans-102.50165.4-81.9-165.3176.8-1720109.7V348V348-K350 HydrophobicContact CG1-CG 4.12Å

Retrieved 350 of 350 residues in 934.8 ms (Link to these results)

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