A0A077ZEG5_TRITR Loading...

Mitotic spindle assembly checkpoint protein MAD2A

AlphaFold DB , UniProt , Accession A0A077ZEG5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M30.9Very low34.4Very low45 Ų4542.9 Ų42.922%0.22222%0.22CC..  082.90-145.1-179.7-121.300108D15 I17 S141 A142 V144M1-D15 WeakPolarHBondContact CA-OD2 3.33Å; M1-D15 HydrophobicContact CE-CB 3.35Å; M1-D15 WeakPolarHBondContact CE-O 3.39Å; M1-D15 HydrophobicContact CG-CB 3.29Å; M1-D15 WeakPolarHBondContact CG-OD2 3.4Å; M1-D15 HydrophobicContact SD-CB 3.92Å; M1-I17 HydrophobicContact CE-CG1 4.44Å; M1-S141 WeakPolarHBondContact O-CA 3.4Å; M1-S141 WeakPolarHBondContact O-CB 3.36Å; M1-A142 VanDerWaalsContact CB-O 3.29Å; M1-A142 WeakPolarHBondContact CB-O 3.28Å; M1-V144 HydrophobicContact CE-CB 3.83Å; M1-V144 HydrophobicContact CE-CG1 4.46Å; M1-V144 HydrophobicContact CE-CG2 4.27Å
2D25.4Very low35.6Very low88 Ų8839.9 Ų39.947%0.47121%0.205SC..  trans-103.2103.8177.2-82.2-53.2000106.4S4 D15D2-S4 VanDerWaalsContact C-N 3.27Å; D2-S4 PolarHBondContact O-N 2.93Å; D2-D15 PolarHBondContact N-OD2 3.37Å
3I31.3Very low36.6Very low7 Ų738.4 Ų38.44%0.03620%0.198CC..  trans-74.593.6166.7-55.7168.7000105.1L5 N13 I14 V87 L139I3-L5 HydrophobicContact CG2-CD1 4.06Å; I3-N13 WeakPolarHBondContact CA-O 3.45Å; I3-N13 WeakPolarHBondContact CB-O 3.28Å; I3-N13 WeakPolarHBondContact CG2-O 3.02Å; I3-I14 HydrophobicContact CG2-CG1 4.14Å; I3-V87 HydrophobicContact CD1-CB 4.34Å; I3-V87 HydrophobicContact CD1-CG1 4.05Å; I3-V87 HydrophobicContact CD1-CG2 4.28Å; I3-L139 HydrophobicContact CB-CB 3.98Å; I3-L139 HydrophobicContact CB-CD1 3.52Å; I3-L139 HydrophobicContact CB-CG 4.34Å; I3-L139 HydrophobicContact CD1-CD1 4.24Å; I3-L139 HydrophobicContact CG1-CD1 4.49Å; I3-L139 HydrophobicContact CG2-CD1 3.38Å; I3-L139 WeakPolarHBondContact O-CD1 3.49Å
4S28.9Very low37.8Very low13 Ų1335.6 Ų35.69%0.09118%0.183CC..  trans-91.9126.4178.11140000109.5D2 N13 D136D2-S4 VanDerWaalsContact C-N 3.27Å; D2-S4 PolarHBondContact O-N 2.93Å; S4-N13 WeakPolarHBondContact O-CB 3.44Å; S4-N13 PolarHBondContact O-N 3.42Å; S4-N13 PolarHBondContact O-ND2 3.47Å; S4-N13 PolarHBondContact OG-ND2 3.39Å; S4-D136 WeakPolarHBondContact CB-OD1 2.89Å; S4-D136 PolarHBondContact OG-OD1 2.83Å
5L31.4Very low38.8Very low5 Ų534.2 Ų34.23%0.02618%0.176CC..EExtended strand (participates in β ladder)trans-106.8125.7167-79.9107.8000110.7I3 V11 V12 V94 L98 H137 L139I3-L5 HydrophobicContact CG2-CD1 4.06Å; L5-V11 WeakPolarHBondContact CA-O 3.49Å; L5-V12 HydrophobicContact CD1-CG1 3.91Å; L5-V12 HydrophobicContact CD2-CB 3.98Å; L5-V12 HydrophobicContact CD2-CG1 3.74Å; L5-V12 HydrophobicContact CD2-CG2 3.47Å; L5-V12 VanDerWaalsContact CD2-CG2 3.47Å; L5-V12 HydrophobicContact CG-CB 4.26Å; L5-V12 HydrophobicContact CG-CG1 3.78Å; L5-V12 HydrophobicContact CG-CG2 4.29Å; L5-V94 HydrophobicContact CB-CG1 3.86Å; L5-V94 HydrophobicContact CD1-CB 3.45Å; L5-V94 VanDerWaalsContact CD1-CB 3.45Å; L5-V94 HydrophobicContact CD1-CG1 3.3Å; L5-V94 HydrophobicContact CD1-CG2 3.51Å; L5-V94 HydrophobicContact CD2-CB 4.12Å; L5-V94 HydrophobicContact CD2-CG1 3.36Å; L5-V94 HydrophobicContact CG-CB 4.27Å; L5-V94 HydrophobicContact CG-CG1 3.62Å; L5-L98 HydrophobicContact CD2-CD1 3.8Å; L5-L98 HydrophobicContact CD2-CD2 3.91Å; L5-L98 HydrophobicContact CD2-CG 4.18Å; L5-H137 PolarHBondContact O-N 3.3Å; L5-L139 HydrophobicContact CD1-CD1 4.13Å
6C27.3Very low40.1Very low6 Ų633.5 Ų33.54%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-81.7128.3177.6-67.10000110.4S9 V11 S134C6-S9 CarbonylContact C-O 3.6Å; C6-S9 WeakPolarHBondContact CB-O 3.42Å; C6-S9 WeakPolarHBondContact CB-OG 3.45Å; C6-V11 HydrophobicContact CB-CB 4.15Å; C6-V11 PolarHBondContact N-O 3.15Å; C6-S134 WeakPolarHBondContact SG-CB 3.48Å; C6-S134 PolarHBondContact SG-OG 3.09Å
7R30.1Very low41Very low175 Ų17531.9 Ų31.966%0.6616%0.164SC*.SBendtrans-77.6-18.1175.1-101-178.5165.6176.5-2.3115.5K135 H137R7-K135 HydrophobicContact CB-CB 4.12Å; R7-K135 PolarHBondContact N-O 3.02Å; R7-H137 PolarHBondContact NE-NE2 3.19Å
8S33.4Very low42.3Very low65 Ų6530.4 Ų30.446%0.45516%0.156SC..SBendtrans-94.2-8.1-176.157.30000114.1S133 S134S8-S133 WeakPolarHBondContact CB-O 3.24Å; S8-S133 PolarHBondContact OG-O 2.96Å; S8-S134 WeakPolarHBondContact OG-CA 3.44Å
9S43.4Very low43.6Very low29 Ų2932.7 Ų32.720%0.20317%0.169CC..SBendtrans-161.6130.2-166.535.10000104.8C6 V11 P131C6-S9 CarbonylContact C-O 3.6Å; C6-S9 WeakPolarHBondContact CB-O 3.42Å; C6-S9 WeakPolarHBondContact CB-OG 3.45Å; S9-V11 PolarHBondContact O-N 2.75Å; S9-P131 WeakPolarHBondContact OG-CB 3.38Å; S9-P131 WeakPolarHBondContact OG-CG 3.37Å
10N50.2Low45.2Very low29 Ų2936 Ų3616%0.15518%0.183CC..  trans-7247.5-172.6-63.7-57.8000112.6V153 T155N10-V153 HydrophobicContact CB-CB 4.08Å; N10-V153 WeakPolarHBondContact O-CB 3.43Å; N10-V153 PolarHBondContact O-N 2.88Å; N10-T155 VanDerWaalsContact ND2-CG2 3.28Å; N10-T155 WeakPolarHBondContact ND2-CG2 3.2Å
11V45.8Very low46.7Very low10 Ų1034.4 Ų34.46%0.06118%0.175CC..EExtended strand (participates in β ladder)trans-94.2129.3-175.4-179.50000109L5 C6 S9 P131L5-V11 WeakPolarHBondContact CA-O 3.49Å; C6-V11 HydrophobicContact CB-CB 4.15Å; C6-V11 PolarHBondContact N-O 3.15Å; S9-V11 PolarHBondContact O-N 2.75Å; V11-P131 HydrophobicContact CG2-CG 4.4Å
12V48.8Very low48.9Very low7 Ų732.8 Ų32.84%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-119.8109.3176.5-164.40000108.3L5 I14 L98 I151L5-V12 HydrophobicContact CD1-CG1 3.91Å; L5-V12 HydrophobicContact CD2-CB 3.98Å; L5-V12 HydrophobicContact CD2-CG1 3.74Å; L5-V12 HydrophobicContact CD2-CG2 3.47Å; L5-V12 VanDerWaalsContact CD2-CG2 3.47Å; L5-V12 HydrophobicContact CG-CB 4.26Å; L5-V12 HydrophobicContact CG-CG1 3.78Å; L5-V12 HydrophobicContact CG-CG2 4.29Å; V12-I14 HydrophobicContact CG1-CD1 3.75Å; V12-I14 HydrophobicContact CG1-CG1 3.67Å; V12-L98 HydrophobicContact CG2-CD1 4.42Å; V12-I151 PolarHBondContact N-O 3.37Å; V12-I151 PolarHBondContact O-N 3.33Å
13N48.8Very low51.8Low20 Ų2030.6 Ų30.611%0.10716%0.157CC..EExtended strand (participates in β ladder)trans-82.4125.4170.4-63.7-57.8000108.4I3 S4 R150I3-N13 WeakPolarHBondContact CA-O 3.45Å; I3-N13 WeakPolarHBondContact CB-O 3.28Å; I3-N13 WeakPolarHBondContact CG2-O 3.02Å; S4-N13 WeakPolarHBondContact O-CB 3.44Å; S4-N13 PolarHBondContact O-N 3.42Å; S4-N13 PolarHBondContact O-ND2 3.47Å; S4-N13 PolarHBondContact OG-ND2 3.39Å; N13-R150 WeakPolarHBondContact OD1-CD 3.44Å; N13-R150 WeakPolarHBondContact OD1-CG 2.99Å; N13-R150 PolarHBondContact OD1-NE 3.46Å
14I53.2Low54.5Low0 Ų031.3 Ų31.30%016%0.16CC..  trans-138.2113.8178.7-55.5164.7000108.4I3 V12 F16 I29 V87 I91 F149I3-I14 HydrophobicContact CG2-CG1 4.14Å; V12-I14 HydrophobicContact CG1-CD1 3.75Å; V12-I14 HydrophobicContact CG1-CG1 3.67Å; I14-F16 HydrophobicContact CB-CE1 4.18Å; I14-F16 HydrophobicContact CB-CZ 4.06Å; I14-F16 HydrophobicContact CG2-CD1 3.94Å; I14-F16 HydrophobicContact CG2-CE1 3.3Å; I14-F16 HydrophobicContact CG2-CZ 3.69Å; I14-I29 HydrophobicContact CD1-CD1 3.13Å; I14-I29 HydrophobicContact CD1-CG1 4.17Å; I14-V87 HydrophobicContact CG2-CG1 3.56Å; I14-I91 HydrophobicContact CD1-CD1 3.74Å; I14-I91 HydrophobicContact CD1-CG1 3.75Å; I14-I91 HydrophobicContact CG1-CG1 4.33Å; I14-I91 HydrophobicContact CG2-CD1 4.36Å; I14-F149 CarbonylContact C-O 3.52Å; I14-F149 HydrophobicContact CB-CD1 4.42Å; I14-F149 PolarHBondContact N-O 2.93Å; I14-F149 VanDerWaalsContact O-CB 3.25Å; I14-F149 WeakPolarHBondContact O-CB 3.1Å; I14-F149 WeakPolarHBondContact O-CD1 3.32Å
15D53.4Low57.2Low14 Ų1430.7 Ų30.78%0.07516%0.156CC..  trans-82.7135.6173.1-51.6-32.7000108.9M1 D2M1-D15 WeakPolarHBondContact CA-OD2 3.33Å; M1-D15 HydrophobicContact CE-CB 3.35Å; M1-D15 WeakPolarHBondContact CE-O 3.39Å; M1-D15 HydrophobicContact CG-CB 3.29Å; M1-D15 WeakPolarHBondContact CG-OD2 3.4Å; M1-D15 HydrophobicContact SD-CB 3.92Å; D2-D15 PolarHBondContact N-OD2 3.37Å
16F59.7Low59.7Low23 Ų2330.7 Ų30.710%0.10116%0.156CC..  trans-104.9150.9179.4-66.7-54.2000113.3I14 A22 A25 F149I14-F16 HydrophobicContact CB-CE1 4.18Å; I14-F16 HydrophobicContact CB-CZ 4.06Å; I14-F16 HydrophobicContact CG2-CD1 3.94Å; I14-F16 HydrophobicContact CG2-CE1 3.3Å; I14-F16 HydrophobicContact CG2-CZ 3.69Å; F16-A22 HydrophobicContact CB-CB 4.17Å; F16-A22 HydrophobicContact CD1-CB 4.44Å; F16-A22 VanDerWaalsContact CD2-CA 3.47Å; F16-A22 HydrophobicContact CD2-CB 3.28Å; F16-A22 VanDerWaalsContact CE2-CA 3.48Å; F16-A22 HydrophobicContact CE2-CB 3.61Å; F16-A22 HydrophobicContact CG-CB 3.73Å; F16-A22 HydrophobicContact CZ-CB 4.45Å; F16-A25 HydrophobicContact CD1-CB 4.14Å; F16-A25 HydrophobicContact CE1-CB 3.05Å; F16-A25 HydrophobicContact CE2-CB 4.43Å; F16-A25 HydrophobicContact CZ-CB 3.24Å; F16-F149 HydrophobicContact CD2-CB 3.99Å; F16-F149 AromaticContact CD2-CD1 3.6Å; F16-F149 HydrophobicContact CD2-CD1 3.6Å; F16-F149 HydrophobicContact CD2-CE1 4.17Å; F16-F149 AromaticContact CD2-CG 3.85Å; F16-F149 HydrophobicContact CD2-CG 3.85Å; F16-F149 HydrophobicContact CE2-CB 4.24Å; F16-F149 AromaticContact CE2-CD1 2.97Å; F16-F149 HydrophobicContact CE2-CD1 2.97Å; F16-F149 HydrophobicContact CE2-CD2 4.46Å; F16-F149 AromaticContact CE2-CE1 3.16Å; F16-F149 HydrophobicContact CE2-CE1 3.16Å; F16-F149 AromaticContact CE2-CG 3.64Å; F16-F149 HydrophobicContact CE2-CG 3.64Å; F16-F149 HydrophobicContact CE2-CZ 4.02Å; F16-F149 AromaticContact CZ-CD1 3.68Å; F16-F149 HydrophobicContact CZ-CD1 3.68Å; F16-F149 AromaticContact CZ-CE1 3.69Å; F16-F149 HydrophobicContact CZ-CE1 3.69Å
17I55.3Low62.7Low7 Ų730.4 Ų30.44%0.03615%0.154CC..SBendtrans-82.3-38176.8-51.6-172.6000109.5M1 S21 V74 W80 Q83 V84 V144M1-I17 HydrophobicContact CE-CG1 4.44Å; I17-S21 PolarHBondContact N-OG 2.88Å; I17-V74 HydrophobicContact CG2-CG1 4.17Å; I17-V74 WeakPolarHBondContact O-CB 2.99Å; I17-V74 WeakPolarHBondContact O-CG1 3.45Å; I17-V74 WeakPolarHBondContact O-CG2 3.05Å; I17-W80 HydrophobicContact CG2-CB 4.33Å; I17-Q83 HydrophobicContact CD1-CB 3.28Å; I17-Q83 HydrophobicContact CD1-CG 4.44Å; I17-V84 HydrophobicContact CB-CG2 4.39Å; I17-V84 HydrophobicContact CD1-CG2 3.64Å; I17-V84 HydrophobicContact CG1-CG2 4.23Å; I17-V144 HydrophobicContact CG1-CG2 4.41Å; I17-V144 HydrophobicContact CG2-CG1 4.27Å
18N64.1Low65.5Low5 Ų522.4 Ų22.43%0.02713%0.125CC..SBendtrans-155.4169.1-179.460.334.5000113.4Q20 S21 A22 V74N18-Q20 VanDerWaalsContact C-N 3.3Å; N18-Q20 PolarHBondContact O-N 2.83Å; N18-Q20 PolarHBondContact OD1-N 3.16Å; N18-S21 PolarHBondContact N-OG 2.96Å; N18-S21 PolarHBondContact O-N 2.85Å; N18-S21 VanDerWaalsContact O-N 3.12Å; N18-S21 PolarHBondContact O-OG 2.72Å; N18-S21 VanDerWaalsContact OD1-CB 3.28Å; N18-S21 WeakPolarHBondContact OD1-CB 3.34Å; N18-S21 PolarHBondContact OD1-N 3.06Å; N18-S21 PolarHBondContact OD1-OG 2.85Å; N18-A22 PolarHBondContact O-N 3.31Å; N18-V74 HydrophobicContact CB-CB 4.28Å; N18-V74 HydrophobicContact CB-CG1 4.15Å; N18-V74 HydrophobicContact CB-CG2 3.52Å
19D67.5Low68Low74 Ų7419.6 Ų19.640%0.39610%0.104SC..Hα-helixtrans-44.1-50.4171.360.5-30.4000112.7S21 A22 D23 V67D19-S21 PolarHBondContact O-N 3.26Å; D19-A22 WeakPolarHBondContact O-CB 3.48Å; D19-A22 PolarHBondContact O-N 2.84Å; D19-D23 PolarHBondContact O-N 3.1Å; D19-D23 VanDerWaalsContact O-N 3.15Å; D19-V67 HydrophobicContact CB-CG1 3.71Å
20Q75.7Confident70Confident98 Ų9818.5 Ų18.546%0.45810%0.096SC..Hα-helixtrans-64-40.8-179.2-62.7-176.96.200112.3N18 A22 F24N18-Q20 VanDerWaalsContact C-N 3.3Å; N18-Q20 PolarHBondContact O-N 2.83Å; N18-Q20 PolarHBondContact OD1-N 3.16Å; Q20-A22 VanDerWaalsContact C-N 3.28Å; Q20-A22 PolarHBondContact O-N 3.42Å; Q20-F24 WeakPolarHBondContact O-CD2 3.38Å; Q20-F24 PolarHBondContact O-N 3.38Å
21S76.5Confident71.9Confident3 Ų321.1 Ų21.12%0.02111%0.105CC..Hα-helixtrans-69.2-30.5179.465.70000111.9I17 N18 D19 A25I17-S21 PolarHBondContact N-OG 2.88Å; N18-S21 PolarHBondContact N-OG 2.96Å; N18-S21 PolarHBondContact O-N 2.85Å; N18-S21 VanDerWaalsContact O-N 3.12Å; N18-S21 PolarHBondContact O-OG 2.72Å; N18-S21 VanDerWaalsContact OD1-CB 3.28Å; N18-S21 WeakPolarHBondContact OD1-CB 3.34Å; N18-S21 PolarHBondContact OD1-N 3.06Å; N18-S21 PolarHBondContact OD1-OG 2.85Å; D19-S21 PolarHBondContact O-N 3.26Å; S21-A25 WeakPolarHBondContact O-CB 3.05Å; S21-A25 PolarHBondContact O-N 3.27Å; S21-A25 VanDerWaalsContact O-N 3.08Å
22A77.9Confident73.8Confident11 Ų1123.5 Ų23.59%0.09112%0.115CC..Hα-helixtrans-66.5-51.2175.900000111.1F16 N18 D19 Q20 F24 A25 I26F16-A22 HydrophobicContact CB-CB 4.17Å; F16-A22 HydrophobicContact CD1-CB 4.44Å; F16-A22 VanDerWaalsContact CD2-CA 3.47Å; F16-A22 HydrophobicContact CD2-CB 3.28Å; F16-A22 VanDerWaalsContact CE2-CA 3.48Å; F16-A22 HydrophobicContact CE2-CB 3.61Å; F16-A22 HydrophobicContact CG-CB 3.73Å; F16-A22 HydrophobicContact CZ-CB 4.45Å; N18-A22 PolarHBondContact O-N 3.31Å; D19-A22 WeakPolarHBondContact O-CB 3.48Å; D19-A22 PolarHBondContact O-N 2.84Å; Q20-A22 VanDerWaalsContact C-N 3.28Å; Q20-A22 PolarHBondContact O-N 3.42Å; A22-F24 PolarHBondContact O-N 2.74Å; A22-A25 PolarHBondContact O-N 3.3Å; A22-A25 VanDerWaalsContact O-N 3.16Å; A22-I26 WeakPolarHBondContact O-CG1 3.38Å; A22-I26 PolarHBondContact O-N 2.89Å
23D84.9Confident75.5Confident42 Ų4224.1 Ų24.123%0.22512%0.117CC..Hα-helixtrans-50.6-54.6175.6169.941.8000111.7D19 A25 I26 N27 L63 V67D19-D23 PolarHBondContact O-N 3.1Å; D19-D23 VanDerWaalsContact O-N 3.15Å; D23-A25 VanDerWaalsContact C-N 3.31Å; D23-A25 PolarHBondContact O-N 2.88Å; D23-I26 PolarHBondContact O-N 3.1Å; D23-N27 WeakPolarHBondContact O-CB 3.42Å; D23-N27 PolarHBondContact O-N 3.32Å; D23-N27 VanDerWaalsContact O-N 3.07Å; D23-N27 PolarHBondContact O-ND2 3.26Å; D23-N27 PolarHBondContact OD1-ND2 3.01Å; D23-L63 WeakPolarHBondContact OD1-CD1 3.26Å; D23-V67 HydrophobicContact CB-CG2 4.25Å
24F89.4Confident77.3Confident22 Ų2231.3 Ų31.310%0.09615%0.15CC..Hα-helixtrans-65.4-32.7-178.2-75.5-58.4000113.7Q20 A22 N27 T28 V44 R46 F47 L51 V53 F88Q20-F24 WeakPolarHBondContact O-CD2 3.38Å; Q20-F24 PolarHBondContact O-N 3.38Å; A22-F24 PolarHBondContact O-N 2.74Å; F24-N27 WeakPolarHBondContact O-CB 3.46Å; F24-T28 WeakPolarHBondContact O-CB 3.4Å; F24-T28 PolarHBondContact O-N 3.18Å; F24-T28 PolarHBondContact O-OG1 3.42Å; F24-V44 HydrophobicContact CE1-CG2 4.08Å; F24-R46 HydrophobicContact CD1-CG 4.48Å; F24-R46 HydrophobicContact CE1-CG 3.83Å; F24-R46 HydrophobicContact CE2-CB 4.33Å; F24-R46 HydrophobicContact CE2-CG 3.92Å; F24-R46 HydrophobicContact CZ-CB 4.37Å; F24-R46 HydrophobicContact CZ-CG 3.55Å; F24-F47 AromaticContact CD2-CE2 3.59Å; F24-F47 HydrophobicContact CD2-CE2 3.59Å; F24-F47 AromaticContact CD2-CZ 3.95Å; F24-F47 HydrophobicContact CD2-CZ 3.95Å; F24-F47 HydrophobicContact CE2-CE2 4.26Å; F24-F47 HydrophobicContact CE2-CZ 4.33Å; F24-F47 HydrophobicContact CG-CE2 4.31Å; F24-L51 HydrophobicContact CB-CD1 3.8Å; F24-L51 HydrophobicContact CD1-CD1 4.04Å; F24-L51 HydrophobicContact CG-CD1 3.91Å; F24-V53 HydrophobicContact CD1-CG2 3.83Å; F24-V53 HydrophobicContact CE1-CG2 3.7Å; F24-F88 HydrophobicContact CB-CE1 4.14Å; F24-F88 HydrophobicContact CB-CZ 3.56Å; F24-F88 WeakPolarHBondContact O-CE1 3.49Å
25A83.7Confident78.7Confident0 Ų032.9 Ų32.90%016%0.158CC..Hα-helixtrans-75.5-40.8-179.500000111.8F16 S21 A22 D23 N27 T28 I29 F88 I91F16-A25 HydrophobicContact CD1-CB 4.14Å; F16-A25 HydrophobicContact CE1-CB 3.05Å; F16-A25 HydrophobicContact CE2-CB 4.43Å; F16-A25 HydrophobicContact CZ-CB 3.24Å; S21-A25 WeakPolarHBondContact O-CB 3.05Å; S21-A25 PolarHBondContact O-N 3.27Å; S21-A25 VanDerWaalsContact O-N 3.08Å; A22-A25 PolarHBondContact O-N 3.3Å; A22-A25 VanDerWaalsContact O-N 3.16Å; D23-A25 VanDerWaalsContact C-N 3.31Å; D23-A25 PolarHBondContact O-N 2.88Å; A25-N27 VanDerWaalsContact C-N 3.32Å; A25-N27 PolarHBondContact O-N 3.12Å; A25-T28 WeakPolarHBondContact O-CB 3.48Å; A25-T28 PolarHBondContact O-N 3.22Å; A25-T28 VanDerWaalsContact O-N 3.13Å; A25-I29 VanDerWaalsContact O-CD1 3.25Å; A25-I29 WeakPolarHBondContact O-CD1 3.19Å; A25-I29 VanDerWaalsContact O-CG1 3.24Å; A25-I29 WeakPolarHBondContact O-CG1 3.43Å; A25-I29 PolarHBondContact O-N 3.08Å; A25-F88 HydrophobicContact CB-CE1 4.16Å; A25-F88 HydrophobicContact CB-CZ 3.86Å; A25-I91 HydrophobicContact CB-CD1 3.94Å
26I85.4Confident80.3Confident4 Ų436.5 Ų36.52%0.02117%0.171CC..Hα-helixtrans-57.7-50172.3-62.1162.2000109A22 D23 T28 I29 V30 F59 L63 V66 F149 I151A22-I26 WeakPolarHBondContact O-CG1 3.38Å; A22-I26 PolarHBondContact O-N 2.89Å; D23-I26 PolarHBondContact O-N 3.1Å; I26-T28 VanDerWaalsContact C-N 3.29Å; I26-T28 PolarHBondContact O-N 2.96Å; I26-I29 PolarHBondContact O-N 3.15Å; I26-I29 VanDerWaalsContact O-N 3.1Å; I26-V30 HydrophobicContact CG2-CG1 4.3Å; I26-V30 WeakPolarHBondContact O-CG2 3.39Å; I26-V30 PolarHBondContact O-N 3.41Å; I26-F59 HydrophobicContact CG2-CZ 4.21Å; I26-L63 HydrophobicContact CB-CD2 3.86Å; I26-L63 HydrophobicContact CD1-CD2 3.73Å; I26-L63 HydrophobicContact CG1-CD2 4.4Å; I26-L63 HydrophobicContact CG2-CD2 3.58Å; I26-V66 HydrophobicContact CD1-CG1 4.22Å; I26-F149 HydrophobicContact CD1-CZ 3.96Å; I26-F149 HydrophobicContact CG1-CE1 4.22Å; I26-F149 HydrophobicContact CG1-CZ 3.83Å; I26-I151 HydrophobicContact CG1-CD1 4.12Å
27N90.7Very high81.7Confident1 Ų138.9 Ų38.91%0.00519%0.189CC..Hα-helixtrans-51.2-45.8173.4-90.5-70.9000112.9D23 F24 A25 I29 V30 Y31 M52 V53 N54 F59 L63D23-N27 WeakPolarHBondContact O-CB 3.42Å; D23-N27 PolarHBondContact O-N 3.32Å; D23-N27 VanDerWaalsContact O-N 3.07Å; D23-N27 PolarHBondContact O-ND2 3.26Å; D23-N27 PolarHBondContact OD1-ND2 3.01Å; F24-N27 WeakPolarHBondContact O-CB 3.46Å; A25-N27 VanDerWaalsContact C-N 3.32Å; A25-N27 PolarHBondContact O-N 3.12Å; N27-I29 PolarHBondContact O-N 3.47Å; N27-V30 VanDerWaalsContact O-CG2 3.24Å; N27-V30 WeakPolarHBondContact O-CG2 3.29Å; N27-Y31 VanDerWaalsContact O-CB 3.3Å; N27-Y31 WeakPolarHBondContact O-CB 3.42Å; N27-Y31 PolarHBondContact O-N 3.35Å; N27-M52 WeakPolarHBondContact CB-O 3.41Å; N27-V53 WeakPolarHBondContact OD1-CA 2.95Å; N27-N54 PolarHBondContact OD1-N 3.23Å; N27-F59 WeakPolarHBondContact OD1-CE1 3.25Å; N27-L63 VanDerWaalsContact ND2-CD1 3.32Å; N27-L63 WeakPolarHBondContact ND2-CD1 3.33Å
28T89Confident83.4Confident7 Ų741.7 Ų41.74%0.04321%0.213CC..Hα-helixtrans-65.3-39.6179.2-65.50000112.2F24 A25 I26 Q32 F88 I91F24-T28 WeakPolarHBondContact O-CB 3.4Å; F24-T28 PolarHBondContact O-N 3.18Å; F24-T28 PolarHBondContact O-OG1 3.42Å; A25-T28 WeakPolarHBondContact O-CB 3.48Å; A25-T28 PolarHBondContact O-N 3.22Å; A25-T28 VanDerWaalsContact O-N 3.13Å; I26-T28 VanDerWaalsContact C-N 3.29Å; I26-T28 PolarHBondContact O-N 2.96Å; T28-Q32 HydrophobicContact CG2-CG 4.21Å; T28-Q32 VanDerWaalsContact O-CB 3.29Å; T28-Q32 WeakPolarHBondContact O-CB 3.3Å; T28-Q32 VanDerWaalsContact O-CG 3.24Å; T28-Q32 WeakPolarHBondContact O-CG 3.31Å; T28-Q32 PolarHBondContact O-N 3.05Å; T28-F88 HydrophobicContact CG2-CD1 4.19Å; T28-F88 HydrophobicContact CG2-CE1 4.44Å; T28-F88 VanDerWaalsContact OG1-CE1 3.3Å; T28-F88 WeakPolarHBondContact OG1-CE1 3.31Å; T28-I91 HydrophobicContact CG2-CG2 4.18Å
29I84.5Confident84.8Confident5 Ų549 Ų493%0.02625%0.247CC..Hα-helixtrans-69.9-48.5-179.8-67.1154.3000110.2I14 A25 I26 N27 Y31 Q32 R33 I91 I151I14-I29 HydrophobicContact CD1-CD1 3.13Å; I14-I29 HydrophobicContact CD1-CG1 4.17Å; A25-I29 VanDerWaalsContact O-CD1 3.25Å; A25-I29 WeakPolarHBondContact O-CD1 3.19Å; A25-I29 VanDerWaalsContact O-CG1 3.24Å; A25-I29 WeakPolarHBondContact O-CG1 3.43Å; A25-I29 PolarHBondContact O-N 3.08Å; I26-I29 PolarHBondContact O-N 3.15Å; I26-I29 VanDerWaalsContact O-N 3.1Å; N27-I29 PolarHBondContact O-N 3.47Å; I29-Y31 PolarHBondContact O-N 3.21Å; I29-Q32 PolarHBondContact O-N 2.72Å; I29-R33 HydrophobicContact CG2-CG 4.02Å; I29-R33 WeakPolarHBondContact O-CB 3.34Å; I29-R33 WeakPolarHBondContact O-CG 3.34Å; I29-R33 PolarHBondContact O-N 3.02Å; I29-I91 HydrophobicContact CD1-CD1 4.44Å; I29-I91 HydrophobicContact CG1-CG2 3.72Å; I29-I151 HydrophobicContact CD1-CD1 3.25Å; I29-I151 HydrophobicContact CG1-CD1 4.48Å
30V85.7Confident86.2Confident6 Ų646.6 Ų46.64%0.03624%0.235CC..Hα-helixtrans-62.2-32.2179.3-59.40000111.8I26 N27 Q34 L35 Y36 F41 F59I26-V30 HydrophobicContact CG2-CG1 4.3Å; I26-V30 WeakPolarHBondContact O-CG2 3.39Å; I26-V30 PolarHBondContact O-N 3.41Å; N27-V30 VanDerWaalsContact O-CG2 3.24Å; N27-V30 WeakPolarHBondContact O-CG2 3.29Å; V30-Q34 PolarHBondContact O-N 2.84Å; V30-L35 HydrophobicContact CB-CB 4.17Å; V30-L35 HydrophobicContact CB-CD1 4.25Å; V30-L35 HydrophobicContact CG1-CD1 3.92Å; V30-L35 PolarHBondContact O-N 2.87Å; V30-Y36 HydrophobicContact CB-CD2 4.06Å; V30-Y36 HydrophobicContact CB-CE2 4.45Å; V30-Y36 HydrophobicContact CG2-CD2 4.33Å; V30-F41 HydrophobicContact CG2-CE1 3.88Å; V30-F41 HydrophobicContact CG2-CZ 3.84Å; V30-F59 HydrophobicContact CB-CZ 4.46Å; V30-F59 HydrophobicContact CG1-CE2 4.29Å; V30-F59 HydrophobicContact CG1-CZ 4.07Å; V30-F59 HydrophobicContact CG2-CE1 4.21Å; V30-F59 HydrophobicContact CG2-CE2 4.42Å; V30-F59 HydrophobicContact CG2-CZ 3.68Å
31Y90.1Very high87.2Confident84 Ų8442.8 Ų42.833%0.32922%0.217SC..Hα-helixtrans-69.6-55.5172178.8-101.1000112.3N27 I29 R33 Q34 A38 F41 M52N27-Y31 VanDerWaalsContact O-CB 3.3Å; N27-Y31 WeakPolarHBondContact O-CB 3.42Å; N27-Y31 PolarHBondContact O-N 3.35Å; I29-Y31 PolarHBondContact O-N 3.21Å; Y31-R33 PolarHBondContact O-N 2.77Å; Y31-Q34 PolarHBondContact O-N 2.85Å; Y31-A38 HydrophobicContact CE2-CB 4.4Å; Y31-F41 HydrophobicContact CD2-CB 4.08Å; Y31-F41 AromaticContact CD2-CD1 3.91Å; Y31-F41 HydrophobicContact CD2-CD1 3.91Å; Y31-F41 AromaticContact CD2-CD2 3.67Å; Y31-F41 HydrophobicContact CD2-CD2 3.67Å; Y31-F41 HydrophobicContact CD2-CE1 4.24Å; Y31-F41 AromaticContact CD2-CE2 3.99Å; Y31-F41 HydrophobicContact CD2-CE2 3.99Å; Y31-F41 AromaticContact CD2-CG 3.62Å; Y31-F41 HydrophobicContact CD2-CG 3.62Å; Y31-F41 HydrophobicContact CD2-CZ 4.27Å; Y31-F41 HydrophobicContact CE2-CB 4.36Å; Y31-F41 HydrophobicContact CE2-CD2 4.34Å; Y31-F41 HydrophobicContact CE2-CG 4.32Å; Y31-F41 HydrophobicContact CG-CD1 4.36Å; Y31-F41 HydrophobicContact CG-CE1 4.45Å; Y31-F41 HydrophobicContact CG-CG 4.49Å; Y31-M52 HydrophobicContact CD1-CB 3.91Å; Y31-M52 HydrophobicContact CD1-CG 3.62Å; Y31-M52 HydrophobicContact CD2-CB 3.85Å; Y31-M52 HydrophobicContact CD2-CE 4.45Å; Y31-M52 HydrophobicContact CD2-CG 3.97Å; Y31-M52 HydrophobicContact CE1-CB 4.32Å; Y31-M52 HydrophobicContact CE1-CG 3.55Å; Y31-M52 HydrophobicContact CE2-CB 4.24Å; Y31-M52 HydrophobicContact CE2-CE 3.86Å; Y31-M52 HydrophobicContact CE2-CG 3.9Å; Y31-M52 HydrophobicContact CG-CB 3.66Å; Y31-M52 HydrophobicContact CG-CG 3.83Å
32Q86.7Confident88.1Confident61 Ų6146 Ų4629%0.28524%0.236SC..Hα-helixtrans-66-27.5-175.5-73.9-178.5-700113T28 I29 S92 A95T28-Q32 HydrophobicContact CG2-CG 4.21Å; T28-Q32 VanDerWaalsContact O-CB 3.29Å; T28-Q32 WeakPolarHBondContact O-CB 3.3Å; T28-Q32 VanDerWaalsContact O-CG 3.24Å; T28-Q32 WeakPolarHBondContact O-CG 3.31Å; T28-Q32 PolarHBondContact O-N 3.05Å; I29-Q32 PolarHBondContact O-N 2.72Å; Q32-S92 PolarHBondContact NE2-OG 3.03Å; Q32-A95 HydrophobicContact CB-CB 4.15Å
33R83.7Confident89Confident20 Ų2053.6 Ų53.68%0.07526%0.263CS..THydrogen-bonded Turntrans-90.4-2.3175.7-58.3-61.8-67.1146.2-2113.2I29 Y31 L35 K99 L101I29-R33 HydrophobicContact CG2-CG 4.02Å; I29-R33 WeakPolarHBondContact O-CB 3.34Å; I29-R33 WeakPolarHBondContact O-CG 3.34Å; I29-R33 PolarHBondContact O-N 3.02Å; Y31-R33 PolarHBondContact O-N 2.77Å; R33-L35 VanDerWaalsContact C-N 3.29Å; R33-L35 HydrophobicContact CB-CG 4.31Å; R33-L35 PolarHBondContact O-N 2.94Å; R33-K99 PolarHBondContact NH1-O 2.84Å; R33-K99 PolarHBondContact NH2-O 3.06Å; R33-L101 HydrophobicContact CB-CD1 3.9Å
34Q85.9Confident89.5Confident170 Ų17053.1 Ų53.179%0.79426%0.261SS*.THydrogen-bonded Turntrans57.537.7179-56.6-179.3-6.100113.6V30 Y31 Y36V30-Q34 PolarHBondContact O-N 2.84Å; Y31-Q34 PolarHBondContact O-N 2.85Å; Q34-Y36 VanDerWaalsContact C-N 3.28Å
35L83.4Confident89.7Confident34 Ų3456.6 Ų56.618%0.17828%0.284CS..SBendtrans-71.1-27.5175.1-72.3172.7000112.1V30 R33 L101 C105 C107V30-L35 HydrophobicContact CB-CB 4.17Å; V30-L35 HydrophobicContact CB-CD1 4.25Å; V30-L35 HydrophobicContact CG1-CD1 3.92Å; V30-L35 PolarHBondContact O-N 2.87Å; R33-L35 VanDerWaalsContact C-N 3.29Å; R33-L35 HydrophobicContact CB-CG 4.31Å; R33-L35 PolarHBondContact O-N 2.94Å; L35-L101 HydrophobicContact CD2-CD1 3.44Å; L35-L101 VanDerWaalsContact CD2-CD1 3.44Å; L35-L101 HydrophobicContact CG-CD1 3.95Å; L35-C105 HydrophobicContact CD2-CB 4.21Å; L35-C107 HydrophobicContact CD1-CB 3.49Å; L35-C107 VanDerWaalsContact CD1-CB 3.49Å; L35-C107 HydrophobicContact CD2-CB 4.31Å
36Y86.4Confident90.1Very high89 Ų8962.5 Ų62.535%0.34931%0.307SS..SBendtrans-122.4152173-70.2-98.1000110.2V30 Q34 F59V30-Y36 HydrophobicContact CB-CD2 4.06Å; V30-Y36 HydrophobicContact CB-CE2 4.45Å; V30-Y36 HydrophobicContact CG2-CD2 4.33Å; Q34-Y36 VanDerWaalsContact C-N 3.28Å; Y36-F59 HydrophobicContact CE1-CD2 4.4Å; Y36-F59 AromaticContact CE2-CD2 3.83Å; Y36-F59 HydrophobicContact CE2-CD2 3.83Å; Y36-F59 AromaticContact CE2-CE2 3.78Å; Y36-F59 HydrophobicContact CE2-CE2 3.78Å; Y36-F59 AromaticContact CZ-CD2 3.65Å; Y36-F59 WeakPolarHBondContact OH-CD2 3.44Å
37P88.6Confident90.2Very high73 Ų7363.4 Ų63.447%0.47431%0.31SS..  trans-59.1138.4176.6-2535000112.8H39 V40 F41P37-H39 WeakPolarHBondContact CB-CE1 3.15Å; P37-H39 VanDerWaalsContact CB-ND1 3.35Å; P37-H39 WeakPolarHBondContact CB-ND1 3.15Å; P37-H39 PolarHBondContact O-N 3.32Å; P37-V40 WeakPolarHBondContact O-CG2 3.3Å; P37-V40 PolarHBondContact O-N 3.16Å; P37-V40 VanDerWaalsContact O-N 3.11Å; P37-F41 WeakPolarHBondContact O-CD2 3.37Å
38A91.9Very high90.1Very high67 Ų6766.4 Ų66.455%0.55434%0.342SS*.G310 helixtrans-57.7-26.7-175.800000114.6Y31 V40 F41Y31-A38 HydrophobicContact CE2-CB 4.4Å; A38-V40 VanDerWaalsContact C-N 3.28Å; A38-V40 PolarHBondContact O-N 3.08Å; A38-F41 PolarHBondContact O-N 2.95Å
39H94.2Very high90.2Very high159 Ų15967.2 Ų67.274%0.73635%0.345SS*.G310 helixtrans-72.8-16.4-177.969.1-93.7000114.1P37P37-H39 WeakPolarHBondContact CB-CE1 3.15Å; P37-H39 VanDerWaalsContact CB-ND1 3.35Å; P37-H39 WeakPolarHBondContact CB-ND1 3.15Å; P37-H39 PolarHBondContact O-N 3.32Å
40V95.2Very high90.6Very high22 Ų2270.4 Ų70.413%0.13337%0.366CS..G310 helixtrans-82.6-4.7175.5-57.90000112.7P37 A38 T55 T56P37-V40 WeakPolarHBondContact O-CG2 3.3Å; P37-V40 PolarHBondContact O-N 3.16Å; P37-V40 VanDerWaalsContact O-N 3.11Å; A38-V40 VanDerWaalsContact C-N 3.28Å; A38-V40 PolarHBondContact O-N 3.08Å; V40-T55 PolarHBondContact O-N 2.9Å; V40-T55 PolarHBondContact O-OG1 2.79Å; V40-T56 HydrophobicContact CB-CG2 4.01Å; V40-T56 HydrophobicContact CG1-CG2 4.05Å
41F96.6Very high91Very high18 Ų1870.5 Ų70.58%0.07937%0.367CS..EExtended strand (participates in β ladder)trans-100142.2-179.8-65-96000112.1V30 Y31 P37 A38 M52 V53 N54V30-F41 HydrophobicContact CG2-CE1 3.88Å; V30-F41 HydrophobicContact CG2-CZ 3.84Å; Y31-F41 HydrophobicContact CD2-CB 4.08Å; Y31-F41 AromaticContact CD2-CD1 3.91Å; Y31-F41 HydrophobicContact CD2-CD1 3.91Å; Y31-F41 AromaticContact CD2-CD2 3.67Å; Y31-F41 HydrophobicContact CD2-CD2 3.67Å; Y31-F41 HydrophobicContact CD2-CE1 4.24Å; Y31-F41 AromaticContact CD2-CE2 3.99Å; Y31-F41 HydrophobicContact CD2-CE2 3.99Å; Y31-F41 AromaticContact CD2-CG 3.62Å; Y31-F41 HydrophobicContact CD2-CG 3.62Å; Y31-F41 HydrophobicContact CD2-CZ 4.27Å; Y31-F41 HydrophobicContact CE2-CB 4.36Å; Y31-F41 HydrophobicContact CE2-CD2 4.34Å; Y31-F41 HydrophobicContact CE2-CG 4.32Å; Y31-F41 HydrophobicContact CG-CD1 4.36Å; Y31-F41 HydrophobicContact CG-CE1 4.45Å; Y31-F41 HydrophobicContact CG-CG 4.49Å; P37-F41 WeakPolarHBondContact O-CD2 3.37Å; A38-F41 PolarHBondContact O-N 2.95Å; F41-M52 HydrophobicContact CB-CB 4.25Å; F41-M52 HydrophobicContact CB-CE 3.7Å; F41-M52 HydrophobicContact CD1-CB 4.09Å; F41-M52 HydrophobicContact CG-CB 4.47Å; F41-V53 CarbonylContact C-O 3.6Å; F41-V53 VanDerWaalsContact CA-O 3.26Å; F41-V53 WeakPolarHBondContact CA-O 3.29Å; F41-N54 HydrophobicContact CD1-CB 3.95Å; F41-N54 HydrophobicContact CE1-CB 3.68Å; F41-N54 HydrophobicContact CZ-CB 4.2Å
42T96.8Very high91.2Very high70 Ų7068.4 Ų68.443%0.42936%0.36SS..EExtended strand (participates in β ladder)trans-113.1149.1168.2-167.60000110.9V44 M52 V53 T55T42-V44 HydrophobicContact CG2-CG1 4.23Å; T42-M52 WeakPolarHBondContact O-CA 3.4Å; T42-V53 PolarHBondContact N-O 3.03Å; T42-V53 PolarHBondContact O-N 3.47Å; T42-T55 HydrophobicContact CG2-CG2 3.51Å
43R96.3Very high91.6Very high171 Ų17166.8 Ų66.865%0.64536%0.355SS*.EExtended strand (participates in β ladder)trans-86.6126.7177-175.2-178.8177.7-171.72109.9P50 L51 M52R43-P50 HydrophobicContact CG-CB 4.47Å; R43-P50 VanDerWaalsContact NE-CB 3.29Å; R43-P50 VanDerWaalsContact NH2-CB 3.34Å; R43-L51 CarbonylContact C-O 3.43Å; R43-L51 WeakPolarHBondContact CA-O 3.43Å; R43-M52 HydrophobicContact CB-SD 3.86Å; R43-M52 HydrophobicContact CG-SD 4.2Å
44V95.2Very high92.1Very high33 Ų3366.1 Ų66.120%0.235%0.353CS..EExtended strand (participates in β ladder)trans-122.2156.8172.2-57.10000110.3F24 T42 R46 P50 L51 V53F24-V44 HydrophobicContact CE1-CG2 4.08Å; T42-V44 HydrophobicContact CG2-CG1 4.23Å; V44-R46 HydrophobicContact CG2-CG 4.05Å; V44-P50 CarbonylContact O-C 3.5Å; V44-P50 WeakPolarHBondContact O-CA 3.46Å; V44-L51 HydrophobicContact CG2-CB 4.22Å; V44-L51 PolarHBondContact N-O 3.34Å; V44-L51 PolarHBondContact O-N 3.1Å; V44-V53 HydrophobicContact CG1-CG2 4.33Å; V44-V53 HydrophobicContact CG2-CG2 3.56Å
45V94.1Very high92.5Very high95 Ų9561.8 Ų61.858%0.57634%0.338SS*.EExtended strand (participates in β ladder)trans-106119.5171179.90000108.9L49V45-L49 WeakPolarHBondContact CA-O 3.24Å
46R91.6Very high93Very high124 Ų12462 Ų6247%0.46834%0.34SS..EExtended strand (participates in β ladder)trans-144.4140.7-179.1-69.6-68-175-88.41.9110.1F24 V44 G48 L49 L51F24-R46 HydrophobicContact CD1-CG 4.48Å; F24-R46 HydrophobicContact CE1-CG 3.83Å; F24-R46 HydrophobicContact CE2-CB 4.33Å; F24-R46 HydrophobicContact CE2-CG 3.92Å; F24-R46 HydrophobicContact CZ-CB 4.37Å; F24-R46 HydrophobicContact CZ-CG 3.55Å; V44-R46 HydrophobicContact CG2-CG 4.05Å; R46-G48 PolarHBondContact O-N 3.07Å; R46-G48 VanDerWaalsContact O-N 3.09Å; R46-L49 PolarHBondContact N-O 2.85Å; R46-L49 WeakPolarHBondContact O-CA 3.44Å; R46-L49 PolarHBondContact O-N 3.42Å; R46-L49 VanDerWaalsContact O-O 3.06Å; R46-L51 HydrophobicContact CB-CD1 3.93Å
47F87.1Confident93.3Very high23 Ų2363.3 Ų63.310%0.10135%0.353CS..THydrogen-bonded Turntrans52.530-174.3-39.5-66000113.4F24 L49 L51 W80 V84 Q85 F88F24-F47 AromaticContact CD2-CE2 3.59Å; F24-F47 HydrophobicContact CD2-CE2 3.59Å; F24-F47 AromaticContact CD2-CZ 3.95Å; F24-F47 HydrophobicContact CD2-CZ 3.95Å; F24-F47 HydrophobicContact CE2-CE2 4.26Å; F24-F47 HydrophobicContact CE2-CZ 4.33Å; F24-F47 HydrophobicContact CG-CE2 4.31Å; F47-L49 PolarHBondContact O-N 3.34Å; F47-L51 HydrophobicContact CD2-CD1 4.29Å; F47-W80 AromaticContact CD1-CH2 3.9Å; F47-W80 HydrophobicContact CD1-CH2 3.9Å; F47-W80 AromaticContact CD1-CZ3 3.71Å; F47-W80 HydrophobicContact CD1-CZ3 3.71Å; F47-W80 AromaticContact CE1-CH2 3.66Å; F47-W80 HydrophobicContact CE1-CH2 3.66Å; F47-W80 AromaticContact CE1-CZ3 3.44Å; F47-W80 HydrophobicContact CE1-CZ3 3.44Å; F47-W80 VanDerWaalsContact CE1-CZ3 3.44Å; F47-W80 HydrophobicContact CZ-CZ3 4.48Å; F47-V84 HydrophobicContact CB-CG1 4.28Å; F47-V84 HydrophobicContact CD1-CG1 4.33Å; F47-V84 HydrophobicContact CD2-CG1 3.54Å; F47-V84 HydrophobicContact CE2-CG1 3.88Å; F47-V84 HydrophobicContact CG-CB 4.4Å; F47-V84 HydrophobicContact CG-CG1 3.78Å; F47-V84 HydrophobicContact CZ-CG1 4.42Å; F47-Q85 WeakPolarHBondContact O-CG 2.93Å; F47-Q85 PolarHBondContact O-NE2 3.38Å; F47-F88 HydrophobicContact CD2-CE2 4.44Å; F47-F88 HydrophobicContact CE2-CE2 4.5Å
48G89.4Confident93.2Very high64 Ų6464.1 Ų64.166%0.6636%0.361SS*.THydrogen-bonded Turntrans69.910.4-173.700000115.3R46R46-G48 PolarHBondContact O-N 3.07Å; R46-G48 VanDerWaalsContact O-N 3.09Å
49L91Very high93Very high24 Ų2461.1 Ų61.113%0.12634%0.335CS..EExtended strand (participates in β ladder)trans-113.1143.1178.4-61.6178.5000111.3V45 R46 F47 L51 Q85 F88V45-L49 WeakPolarHBondContact CA-O 3.24Å; R46-L49 PolarHBondContact N-O 2.85Å; R46-L49 WeakPolarHBondContact O-CA 3.44Å; R46-L49 PolarHBondContact O-N 3.42Å; R46-L49 VanDerWaalsContact O-O 3.06Å; F47-L49 PolarHBondContact O-N 3.34Å; L49-L51 HydrophobicContact CB-CD2 3.96Å; L49-L51 HydrophobicContact CB-CG 4.3Å; L49-L51 PolarHBondContact O-N 3.03Å; L49-Q85 HydrophobicContact CD1-CB 4.23Å; L49-Q85 HydrophobicContact CD1-CG 3.98Å; L49-Q85 HydrophobicContact CD2-CG 4.41Å; L49-Q85 HydrophobicContact CG-CG 4.04Å; L49-F88 HydrophobicContact CD1-CB 3.56Å; L49-F88 HydrophobicContact CD1-CD2 4.43Å; L49-F88 HydrophobicContact CD1-CG 4.1Å
50P92.9Very high92.8Very high72 Ų7258.2 Ų58.247%0.46832%0.322SS..EExtended strand (participates in β ladder)trans-76.1115.3166.131.1-30.5000109.7R43 V44R43-P50 HydrophobicContact CG-CB 4.47Å; R43-P50 VanDerWaalsContact NE-CB 3.29Å; R43-P50 VanDerWaalsContact NH2-CB 3.34Å; V44-P50 CarbonylContact O-C 3.5Å; V44-P50 WeakPolarHBondContact O-CA 3.46Å
51L93.5Very high92.3Very high8 Ų862.8 Ų62.84%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-115.3152.5179.4-55.1-178.9000109.8F24 R43 V44 R46 F47 L49 F88F24-L51 HydrophobicContact CB-CD1 3.8Å; F24-L51 HydrophobicContact CD1-CD1 4.04Å; F24-L51 HydrophobicContact CG-CD1 3.91Å; R43-L51 CarbonylContact C-O 3.43Å; R43-L51 WeakPolarHBondContact CA-O 3.43Å; V44-L51 HydrophobicContact CG2-CB 4.22Å; V44-L51 PolarHBondContact N-O 3.34Å; V44-L51 PolarHBondContact O-N 3.1Å; R46-L51 HydrophobicContact CB-CD1 3.93Å; F47-L51 HydrophobicContact CD2-CD1 4.29Å; L49-L51 HydrophobicContact CB-CD2 3.96Å; L49-L51 HydrophobicContact CB-CG 4.3Å; L49-L51 PolarHBondContact O-N 3.03Å; L51-F88 HydrophobicContact CD1-CD1 4.39Å; L51-F88 HydrophobicContact CD1-CE1 3.87Å; L51-F88 HydrophobicContact CD1-CZ 3.99Å; L51-F88 HydrophobicContact CD2-CD1 3.51Å; L51-F88 HydrophobicContact CD2-CE1 3.71Å; L51-F88 HydrophobicContact CD2-CG 4.19Å; L51-F88 HydrophobicContact CG-CE1 4.44Å
52M94.8Very high91.7Very high40 Ų4065 Ų6520%0.19735%0.352CS..EExtended strand (participates in β ladder)trans-102.5131.6174.7-59.9-58.8-64.800108.3N27 Y31 F41 T42 R43N27-M52 WeakPolarHBondContact CB-O 3.41Å; Y31-M52 HydrophobicContact CD1-CB 3.91Å; Y31-M52 HydrophobicContact CD1-CG 3.62Å; Y31-M52 HydrophobicContact CD2-CB 3.85Å; Y31-M52 HydrophobicContact CD2-CE 4.45Å; Y31-M52 HydrophobicContact CD2-CG 3.97Å; Y31-M52 HydrophobicContact CE1-CB 4.32Å; Y31-M52 HydrophobicContact CE1-CG 3.55Å; Y31-M52 HydrophobicContact CE2-CB 4.24Å; Y31-M52 HydrophobicContact CE2-CE 3.86Å; Y31-M52 HydrophobicContact CE2-CG 3.9Å; Y31-M52 HydrophobicContact CG-CB 3.66Å; Y31-M52 HydrophobicContact CG-CG 3.83Å; F41-M52 HydrophobicContact CB-CB 4.25Å; F41-M52 HydrophobicContact CB-CE 3.7Å; F41-M52 HydrophobicContact CD1-CB 4.09Å; F41-M52 HydrophobicContact CG-CB 4.47Å; T42-M52 WeakPolarHBondContact O-CA 3.4Å; R43-M52 HydrophobicContact CB-SD 3.86Å; R43-M52 HydrophobicContact CG-SD 4.2Å
53V95.3Very high91.1Very high27 Ų2761.9 Ų61.916%0.16433%0.332CS..EExtended strand (participates in β ladder)trans-123.9129.4-179.5177.30000108.8F24 N27 F41 T42 V44F24-V53 HydrophobicContact CD1-CG2 3.83Å; F24-V53 HydrophobicContact CE1-CG2 3.7Å; N27-V53 WeakPolarHBondContact OD1-CA 2.95Å; F41-V53 CarbonylContact C-O 3.6Å; F41-V53 VanDerWaalsContact CA-O 3.26Å; F41-V53 WeakPolarHBondContact CA-O 3.29Å; T42-V53 PolarHBondContact N-O 3.03Å; T42-V53 PolarHBondContact O-N 3.47Å; V44-V53 HydrophobicContact CG1-CG2 4.33Å; V44-V53 HydrophobicContact CG2-CG2 3.56Å
54N94.1Very high90.4Very high6 Ų657 Ų573%0.03232%0.319CS..EExtended strand (participates in β ladder)trans-71.7133.7175.6-175.8-10.3000109.5N27 F41 T56 F59N27-N54 PolarHBondContact OD1-N 3.23Å; F41-N54 HydrophobicContact CD1-CB 3.95Å; F41-N54 HydrophobicContact CE1-CB 3.68Å; F41-N54 HydrophobicContact CZ-CB 4.2Å; N54-T56 PolarHBondContact ND2-OG1 2.9Å; N54-T56 WeakPolarHBondContact OD1-CG2 3.45Å; N54-T56 PolarHBondContact OD1-N 3.14Å; N54-T56 PolarHBondContact OD1-OG1 3.43Å; N54-F59 HydrophobicContact CB-CD1 3.42Å; N54-F59 VanDerWaalsContact CB-CD1 3.42Å; N54-F59 HydrophobicContact CB-CE1 3.7Å; N54-F59 HydrophobicContact CB-CG 4.25Å; N54-F59 WeakPolarHBondContact ND2-CB 3.47Å; N54-F59 WeakPolarHBondContact ND2-CD1 3.43Å; N54-F59 VanDerWaalsContact ND2-CG 3.33Å; N54-F59 WeakPolarHBondContact ND2-CG 3.33Å
55T94.6Very high89.5Confident78 Ų7860.9 Ų60.948%0.47933%0.33SS..  trans-104.86.9-173.457.70000113.7V40 T42V40-T55 PolarHBondContact O-N 2.9Å; V40-T55 PolarHBondContact O-OG1 2.79Å; T42-T55 HydrophobicContact CG2-CG2 3.51Å
56T93.7Very high88.5Confident39 Ų3956.8 Ų56.824%0.23931%0.305CS..  trans-80.8130176.460.10000111.5V40 N54 S58 F59 E60V40-T56 HydrophobicContact CB-CG2 4.01Å; V40-T56 HydrophobicContact CG1-CG2 4.05Å; N54-T56 PolarHBondContact ND2-OG1 2.9Å; N54-T56 WeakPolarHBondContact OD1-CG2 3.45Å; N54-T56 PolarHBondContact OD1-N 3.14Å; N54-T56 PolarHBondContact OD1-OG1 3.43Å; T56-S58 PolarHBondContact O-N 3.04Å; T56-F59 PolarHBondContact O-N 2.85Å; T56-F59 VanDerWaalsContact O-N 3.08Å; T56-F59 VanDerWaalsContact OG1-CB 3.24Å; T56-F59 WeakPolarHBondContact OG1-CB 3.32Å; T56-E60 PolarHBondContact O-N 3.06Å
57D92.3Very high87.6Confident116 Ų11651.6 Ų51.662%0.6229%0.287SS*.Hα-helixtrans-53.5-38.8178.1-57.2-22.9000113F59 E60 H61D57-F59 VanDerWaalsContact C-N 3.32Å; D57-F59 PolarHBondContact O-N 3.49Å; D57-E60 PolarHBondContact O-N 2.99Å; D57-H61 VanDerWaalsContact O-CB 3.3Å; D57-H61 WeakPolarHBondContact O-CB 3.5Å; D57-H61 PolarHBondContact O-CD2 3.19Å; D57-H61 PolarHBondContact O-N 3.31Å
58S87.4Confident86.9Confident90 Ų9056.5 Ų56.563%0.62931%0.314SS*.Hα-helixtrans-61.3-41.7-179.854.70000112.3T56 F62T56-S58 PolarHBondContact O-N 3.04Å; S58-F62 WeakPolarHBondContact O-CB 3.24Å; S58-F62 PolarHBondContact O-N 3.21Å; S58-F62 VanDerWaalsContact O-N 3.08Å
59F87.8Confident85.6Confident4 Ų454.3 Ų54.32%0.01829%0.29CS..Hα-helixtrans-76.2-40178.5-173.1-105.3000111.8I26 N27 V30 Y36 N54 T56 D57 H61 F62 L63I26-F59 HydrophobicContact CG2-CZ 4.21Å; N27-F59 WeakPolarHBondContact OD1-CE1 3.25Å; V30-F59 HydrophobicContact CB-CZ 4.46Å; V30-F59 HydrophobicContact CG1-CE2 4.29Å; V30-F59 HydrophobicContact CG1-CZ 4.07Å; V30-F59 HydrophobicContact CG2-CE1 4.21Å; V30-F59 HydrophobicContact CG2-CE2 4.42Å; V30-F59 HydrophobicContact CG2-CZ 3.68Å; Y36-F59 HydrophobicContact CE1-CD2 4.4Å; Y36-F59 AromaticContact CE2-CD2 3.83Å; Y36-F59 HydrophobicContact CE2-CD2 3.83Å; Y36-F59 AromaticContact CE2-CE2 3.78Å; Y36-F59 HydrophobicContact CE2-CE2 3.78Å; Y36-F59 AromaticContact CZ-CD2 3.65Å; Y36-F59 WeakPolarHBondContact OH-CD2 3.44Å; N54-F59 HydrophobicContact CB-CD1 3.42Å; N54-F59 VanDerWaalsContact CB-CD1 3.42Å; N54-F59 HydrophobicContact CB-CE1 3.7Å; N54-F59 HydrophobicContact CB-CG 4.25Å; N54-F59 WeakPolarHBondContact ND2-CB 3.47Å; N54-F59 WeakPolarHBondContact ND2-CD1 3.43Å; N54-F59 VanDerWaalsContact ND2-CG 3.33Å; N54-F59 WeakPolarHBondContact ND2-CG 3.33Å; T56-F59 PolarHBondContact O-N 2.85Å; T56-F59 VanDerWaalsContact O-N 3.08Å; T56-F59 VanDerWaalsContact OG1-CB 3.24Å; T56-F59 WeakPolarHBondContact OG1-CB 3.32Å; D57-F59 VanDerWaalsContact C-N 3.32Å; D57-F59 PolarHBondContact O-N 3.49Å; F59-H61 VanDerWaalsContact C-N 3.34Å; F59-H61 PolarHBondContact O-N 3.23Å; F59-F62 HydrophobicContact CD2-CD1 4.3Å; F59-F62 HydrophobicContact CE2-CD1 4.27Å; F59-F62 WeakPolarHBondContact O-CB 3.24Å; F59-F62 PolarHBondContact O-N 3.07Å; F59-L63 HydrophobicContact CD1-CD1 3.49Å; F59-L63 VanDerWaalsContact CD1-CD1 3.49Å; F59-L63 HydrophobicContact CD1-CG 4.02Å; F59-L63 HydrophobicContact CE1-CD1 3.12Å; F59-L63 HydrophobicContact CE1-CD2 4.31Å; F59-L63 HydrophobicContact CE1-CG 3.74Å; F59-L63 HydrophobicContact CE2-CG 4.41Å; F59-L63 HydrophobicContact CG-CD1 4.45Å; F59-L63 HydrophobicContact CZ-CD1 3.75Å; F59-L63 HydrophobicContact CZ-CD2 4.1Å; F59-L63 HydrophobicContact CZ-CG 3.93Å; F59-L63 WeakPolarHBondContact O-CB 3.48Å; F59-L63 WeakPolarHBondContact O-CG 3.39Å; F59-L63 PolarHBondContact O-N 3.4Å
60E88.5Confident84.2Confident99 Ų9955.1 Ų55.146%0.46329%0.293SS..Hα-helixtrans-60.4-44.6173.8-176.8176.3172.900111.1T56 D57 F62 L63 N64T56-E60 PolarHBondContact O-N 3.06Å; D57-E60 PolarHBondContact O-N 2.99Å; E60-F62 VanDerWaalsContact C-N 3.34Å; E60-F62 PolarHBondContact O-N 3.23Å; E60-L63 PolarHBondContact O-N 3.08Å; E60-N64 WeakPolarHBondContact O-CB 3.08Å; E60-N64 VanDerWaalsContact O-CG 3.26Å; E60-N64 PolarHBondContact O-N 3.07Å; E60-N64 PolarHBondContact O-ND2 2.83Å
61H86.3Confident82.3Confident118 Ų11859.8 Ų59.855%0.54631%0.308SS..Hα-helixtrans-62-40.5174.4-80.5-57.1000112.7D57 F59 R65D57-H61 VanDerWaalsContact O-CB 3.3Å; D57-H61 WeakPolarHBondContact O-CB 3.5Å; D57-H61 PolarHBondContact O-CD2 3.19Å; D57-H61 PolarHBondContact O-N 3.31Å; F59-H61 VanDerWaalsContact C-N 3.34Å; F59-H61 PolarHBondContact O-N 3.23Å; H61-R65 VanDerWaalsContact C-NH1 3.28Å; H61-R65 WeakPolarHBondContact O-CG 3.24Å; H61-R65 PolarHBondContact O-N 3.38Å; H61-R65 PolarHBondContact O-NH1 3.22Å
62F83.4Confident80.4Confident65 Ų6561.9 Ų61.929%0.28532%0.322SS..Hα-helixtrans-61.4-50.3174166.9-100.8000111.4S58 F59 E60 N64 R65 V66 V109S58-F62 WeakPolarHBondContact O-CB 3.24Å; S58-F62 PolarHBondContact O-N 3.21Å; S58-F62 VanDerWaalsContact O-N 3.08Å; F59-F62 HydrophobicContact CD2-CD1 4.3Å; F59-F62 HydrophobicContact CE2-CD1 4.27Å; F59-F62 WeakPolarHBondContact O-CB 3.24Å; F59-F62 PolarHBondContact O-N 3.07Å; E60-F62 VanDerWaalsContact C-N 3.34Å; E60-F62 PolarHBondContact O-N 3.23Å; F62-N64 PolarHBondContact O-N 2.83Å; F62-R65 PolarHBondContact O-N 3.44Å; F62-V66 HydrophobicContact CD2-CG2 4.32Å; F62-V66 HydrophobicContact CE1-CG2 4.16Å; F62-V66 HydrophobicContact CE2-CG2 3.85Å; F62-V66 HydrophobicContact CZ-CG2 3.77Å; F62-V66 WeakPolarHBondContact O-CB 3.48Å; F62-V66 WeakPolarHBondContact O-CG2 3.43Å; F62-V66 PolarHBondContact O-N 3.08Å; F62-V109 HydrophobicContact CE1-CG2 4.28Å; F62-V109 HydrophobicContact CZ-CB 4.47Å; F62-V109 HydrophobicContact CZ-CG2 3.94Å
63L83Confident78.1Confident4 Ų465.9 Ų65.92%0.02135%0.348CS..Hα-helixtrans-61.1-42.1179.2-77.5177.4000112.3D23 I26 N27 F59 E60 V66 V67D23-L63 WeakPolarHBondContact OD1-CD1 3.26Å; I26-L63 HydrophobicContact CB-CD2 3.86Å; I26-L63 HydrophobicContact CD1-CD2 3.73Å; I26-L63 HydrophobicContact CG1-CD2 4.4Å; I26-L63 HydrophobicContact CG2-CD2 3.58Å; N27-L63 VanDerWaalsContact ND2-CD1 3.32Å; N27-L63 WeakPolarHBondContact ND2-CD1 3.33Å; F59-L63 HydrophobicContact CD1-CD1 3.49Å; F59-L63 VanDerWaalsContact CD1-CD1 3.49Å; F59-L63 HydrophobicContact CD1-CG 4.02Å; F59-L63 HydrophobicContact CE1-CD1 3.12Å; F59-L63 HydrophobicContact CE1-CD2 4.31Å; F59-L63 HydrophobicContact CE1-CG 3.74Å; F59-L63 HydrophobicContact CE2-CG 4.41Å; F59-L63 HydrophobicContact CG-CD1 4.45Å; F59-L63 HydrophobicContact CZ-CD1 3.75Å; F59-L63 HydrophobicContact CZ-CD2 4.1Å; F59-L63 HydrophobicContact CZ-CG 3.93Å; F59-L63 WeakPolarHBondContact O-CB 3.48Å; F59-L63 WeakPolarHBondContact O-CG 3.39Å; F59-L63 PolarHBondContact O-N 3.4Å; E60-L63 PolarHBondContact O-N 3.08Å; L63-V66 CarbonylContact O-C 3.6Å; L63-V66 WeakPolarHBondContact O-CB 3.25Å; L63-V66 PolarHBondContact O-N 3.17Å; L63-V67 WeakPolarHBondContact O-CB 3.34Å; L63-V67 VanDerWaalsContact O-CG2 3.24Å; L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 3.18Å
64N82.5Confident76.1Confident69 Ų6966.4 Ų66.437%0.36935%0.351SS..Hα-helixtrans-63.1-43.7178.1-73.3-25.7000111.3E60 F62 V66 V67 D68E60-N64 WeakPolarHBondContact O-CB 3.08Å; E60-N64 VanDerWaalsContact O-CG 3.26Å; E60-N64 PolarHBondContact O-N 3.07Å; E60-N64 PolarHBondContact O-ND2 2.83Å; F62-N64 PolarHBondContact O-N 2.83Å; N64-V66 VanDerWaalsContact C-N 3.31Å; N64-V66 PolarHBondContact O-N 3.49Å; N64-V67 PolarHBondContact O-N 3.39Å; N64-D68 WeakPolarHBondContact O-CB 3.39Å; N64-D68 PolarHBondContact O-N 3.31Å
65R77.2Confident74Confident113 Ų11373.8 Ų73.843%0.42638%0.384SS..Hα-helixtrans-60.4-44.2175.5-70.8-167.7-47.4-81.45112H61 F62 A69 D122H61-R65 VanDerWaalsContact C-NH1 3.28Å; H61-R65 WeakPolarHBondContact O-CG 3.24Å; H61-R65 PolarHBondContact O-N 3.38Å; H61-R65 PolarHBondContact O-NH1 3.22Å; F62-R65 PolarHBondContact O-N 3.44Å; R65-A69 PolarHBondContact O-N 3.3Å; R65-D122 VanDerWaalsContact CD-OD2 3.29Å; R65-D122 WeakPolarHBondContact CD-OD2 3.36Å; R65-D122 IonicContact CZ-OD2 3.85Å; R65-D122 IonicContact NE-OD2 2.8Å; R65-D122 PolarHBondContact NE-OD2 2.69Å
66V71.8Confident72.2Confident9 Ų978 Ų786%0.05539%0.391CS..Hα-helixtrans-58.9-57.6174.8155.40000110.3I26 F62 L63 N64 D68 A69 F70 F111I26-V66 HydrophobicContact CD1-CG1 4.22Å; F62-V66 HydrophobicContact CD2-CG2 4.32Å; F62-V66 HydrophobicContact CE1-CG2 4.16Å; F62-V66 HydrophobicContact CE2-CG2 3.85Å; F62-V66 HydrophobicContact CZ-CG2 3.77Å; F62-V66 WeakPolarHBondContact O-CB 3.48Å; F62-V66 WeakPolarHBondContact O-CG2 3.43Å; F62-V66 PolarHBondContact O-N 3.08Å; L63-V66 CarbonylContact O-C 3.6Å; L63-V66 WeakPolarHBondContact O-CB 3.25Å; L63-V66 PolarHBondContact O-N 3.17Å; N64-V66 VanDerWaalsContact C-N 3.31Å; N64-V66 PolarHBondContact O-N 3.49Å; V66-D68 PolarHBondContact O-N 3.01Å; V66-A69 WeakPolarHBondContact O-CB 3.3Å; V66-A69 PolarHBondContact O-N 3.01Å; V66-F70 HydrophobicContact CG1-CE2 4.13Å; V66-F70 WeakPolarHBondContact O-CD2 3.24Å; V66-F70 WeakPolarHBondContact O-CE2 3.29Å; V66-F111 HydrophobicContact CB-CE1 4.43Å; V66-F111 HydrophobicContact CB-CZ 3.89Å; V66-F111 HydrophobicContact CG1-CE1 3.31Å; V66-F111 HydrophobicContact CG1-CE2 4.33Å; V66-F111 HydrophobicContact CG1-CZ 3.16Å; V66-F111 HydrophobicContact CG2-CE2 4.1Å; V66-F111 HydrophobicContact CG2-CZ 3.58Å
67V72.9Confident70.4Confident16 Ų1685.9 Ų85.910%0.09742%0.416CS..Hα-helixtrans-65.7-37.6-174.21750000111.5D19 D23 L63 N64 A69 F70D19-V67 HydrophobicContact CB-CG1 3.71Å; D23-V67 HydrophobicContact CB-CG2 4.25Å; L63-V67 WeakPolarHBondContact O-CB 3.34Å; L63-V67 VanDerWaalsContact O-CG2 3.24Å; L63-V67 WeakPolarHBondContact O-CG2 3.43Å; L63-V67 PolarHBondContact O-N 3.18Å; N64-V67 PolarHBondContact O-N 3.39Å; V67-A69 VanDerWaalsContact C-N 3.27Å; V67-A69 PolarHBondContact O-N 3.29Å; V67-F70 WeakPolarHBondContact O-CA 3.05Å; V67-F70 VanDerWaalsContact O-CB 3.29Å; V67-F70 WeakPolarHBondContact O-CB 3.07Å; V67-F70 PolarHBondContact O-N 2.83Å
68D71.8Confident69.3Low125 Ų12583.7 Ų83.767%0.66842%0.42SS*.Hα-helixtrans-66.2-29.2177.4-75.1-15.3000112.5N64 V66 F70N64-D68 WeakPolarHBondContact O-CB 3.39Å; N64-D68 PolarHBondContact O-N 3.31Å; V66-D68 PolarHBondContact O-N 3.01Å; D68-F70 PolarHBondContact O-N 3.42Å
69A63.4Low68.8Low18 Ų1883.4 Ų83.415%0.14941%0.412CS..Hα-helixtrans-59.5-25.7170.600000112.3R65 V66 V67 Q71 P120R65-A69 PolarHBondContact O-N 3.3Å; V66-A69 WeakPolarHBondContact O-CB 3.3Å; V66-A69 PolarHBondContact O-N 3.01Å; V67-A69 VanDerWaalsContact C-N 3.27Å; V67-A69 PolarHBondContact O-N 3.29Å; A69-Q71 PolarHBondContact O-N 2.81Å; A69-P120 HydrophobicContact CB-CG 3.2Å
70F62.1Low68.2Low42 Ų4286 Ų8618%0.18442%0.421CS..  trans-87.387.4177.8-63.9-71.1000111V66 V67 D68 V72 F111 I113V66-F70 HydrophobicContact CG1-CE2 4.13Å; V66-F70 WeakPolarHBondContact O-CD2 3.24Å; V66-F70 WeakPolarHBondContact O-CE2 3.29Å; V67-F70 WeakPolarHBondContact O-CA 3.05Å; V67-F70 VanDerWaalsContact O-CB 3.29Å; V67-F70 WeakPolarHBondContact O-CB 3.07Å; V67-F70 PolarHBondContact O-N 2.83Å; D68-F70 PolarHBondContact O-N 3.42Å; F70-V72 HydrophobicContact CB-CG2 3.91Å; F70-V72 HydrophobicContact CD1-CG2 4.2Å; F70-V72 HydrophobicContact CG-CG2 4.46Å; F70-V72 PolarHBondContact O-N 3.35Å; F70-F111 HydrophobicContact CD2-CD1 4.39Å; F70-F111 HydrophobicContact CD2-CE1 4.41Å; F70-F111 HydrophobicContact CE1-CB 3.81Å; F70-F111 AromaticContact CE1-CD1 3.76Å; F70-F111 HydrophobicContact CE1-CD1 3.76Å; F70-F111 HydrophobicContact CE1-CG 4.11Å; F70-F111 HydrophobicContact CE2-CB 4.46Å; F70-F111 AromaticContact CE2-CD1 3.17Å; F70-F111 HydrophobicContact CE2-CD1 3.17Å; F70-F111 AromaticContact CE2-CE1 3.28Å; F70-F111 HydrophobicContact CE2-CE1 3.28Å; F70-F111 AromaticContact CE2-CG 3.89Å; F70-F111 HydrophobicContact CE2-CG 3.89Å; F70-F111 HydrophobicContact CE2-CZ 4.16Å; F70-F111 HydrophobicContact CZ-CB 3.37Å; F70-F111 AromaticContact CZ-CD1 2.85Å; F70-F111 HydrophobicContact CZ-CD1 2.85Å; F70-F111 HydrophobicContact CZ-CD2 4.17Å; F70-F111 AromaticContact CZ-CE1 3.52Å; F70-F111 HydrophobicContact CZ-CE1 3.52Å; F70-F111 AromaticContact CZ-CG 3.22Å; F70-F111 HydrophobicContact CZ-CG 3.22Å; F70-F111 HydrophobicContact CZ-CZ 4.44Å; F70-I113 HydrophobicContact CE1-CG1 4.49Å
71Q52.5Low67.8Low169 Ų16985.8 Ų85.879%0.7942%0.421SS*.  trans-74.356.7155.9-69.6-163.3-21.200110.8A69 T73A69-Q71 PolarHBondContact O-N 2.81Å; Q71-T73 PolarHBondContact O-N 3.44Å; Q71-T73 VanDerWaalsContact O-N 3.08Å
72V52.9Low67.5Low53 Ų5385.9 Ų85.932%0.32142%0.42SS..  trans-70.4111.3175176.60000107.7F70 V74 A147F70-V72 HydrophobicContact CB-CG2 3.91Å; F70-V72 HydrophobicContact CD1-CG2 4.2Å; F70-V72 HydrophobicContact CG-CG2 4.46Å; F70-V72 PolarHBondContact O-N 3.35Å; V72-V74 VanDerWaalsContact C-N 3.31Å; V72-V74 HydrophobicContact CB-CG2 4.26Å; V72-V74 HydrophobicContact CG1-CG2 3.64Å; V72-V74 WeakPolarHBondContact O-CG2 3.33Å; V72-V74 PolarHBondContact O-N 3.42Å; V72-A147 HydrophobicContact CG1-CB 4.32Å; V72-A147 HydrophobicContact CG2-CB 3.89Å
73T47.7Very low67.1Low123 Ų12383.7 Ų83.776%0.75541%0.41SS*.  trans-74.789.7169.8-28.10000108.2Q71 F75Q71-T73 PolarHBondContact O-N 3.44Å; Q71-T73 VanDerWaalsContact O-N 3.08Å; T73-F75 PolarHBondContact O-N 2.74Å
74V53.2Low66.9Low38 Ų3883.6 Ų83.623%0.2341%0.41CS..  trans-75.6111.2-175.3178.30000110.3I17 N18 V72 R76I17-V74 HydrophobicContact CG2-CG1 4.17Å; I17-V74 WeakPolarHBondContact O-CB 2.99Å; I17-V74 WeakPolarHBondContact O-CG1 3.45Å; I17-V74 WeakPolarHBondContact O-CG2 3.05Å; N18-V74 HydrophobicContact CB-CB 4.28Å; N18-V74 HydrophobicContact CB-CG1 4.15Å; N18-V74 HydrophobicContact CB-CG2 3.52Å; V72-V74 VanDerWaalsContact C-N 3.31Å; V72-V74 HydrophobicContact CB-CG2 4.26Å; V72-V74 HydrophobicContact CG1-CG2 3.64Å; V72-V74 WeakPolarHBondContact O-CG2 3.33Å; V72-V74 PolarHBondContact O-N 3.42Å; V74-R76 HydrophobicContact CG1-CG 4.1Å; V74-R76 PolarHBondContact O-N 2.97Å
75F49.8Very low67Low162 Ų16283.1 Ų83.171%0.71141%0.405SS*.  trans-74.796.8163.5-75.6-77.4000109.7T73 R77T73-F75 PolarHBondContact O-N 2.74Å; F75-R77 VanDerWaalsContact C-N 3.29Å; F75-R77 PolarHBondContact O-N 2.97Å
76R55.7Low67.2Low167 Ų16783.5 Ų83.563%0.6341%0.407SS*.  trans-66.286.2170.2-64.1-177.1-178.4179.9-0.8109.6V74V74-R76 HydrophobicContact CG1-CG 4.1Å; V74-R76 PolarHBondContact O-N 2.97Å
77R57.2Low67.5Low204 Ų20483.6 Ų83.677%0.7741%0.407SS*.  trans-111.8129.8172.5-76.4-169.9172.2-163.3-0.3110.8F75 Q83F75-R77 VanDerWaalsContact C-N 3.29Å; F75-R77 PolarHBondContact O-N 2.97Å; R77-Q83 PolarHBondContact O-NE2 3.47Å
78G69Low68Low69 Ų6983 Ų8371%0.71140%0.403SS*.SBendtrans75.1-163.8177.100000114.6W80G78-W80 VanDerWaalsContact C-N 3.27Å; G78-W80 PolarHBondContact O-N 3.01Å
79N77.2Confident68.7Low84 Ų8482.6 Ų82.645%0.44940%0.397SS..  trans-78.278.4179-166.1-36.6000109.8E81 K82 Q83N79-E81 VanDerWaalsContact C-N 3.3Å; N79-E81 PolarHBondContact O-N 3.39Å; N79-K82 HydrophobicContact CB-CB 4.44Å; N79-K82 HydrophobicContact CB-CD 4.45Å; N79-K82 PolarHBondContact O-N 3.11Å; N79-K82 WeakPolarHBondContact OD1-CG 3.18Å; N79-K82 PolarHBondContact OD1-N 3.29Å; N79-K82 VanDerWaalsContact OD1-N 3.15Å; N79-Q83 PolarHBondContact O-N 3.01Å
80W74.7Confident69.4Low58 Ų5882.5 Ų82.522%0.2240%0.395CS..Hα-helixtrans-63.9-33.6-176.768.7-87.2000112.1I17 F47 G78 K82 Q83 V84I17-W80 HydrophobicContact CG2-CB 4.33Å; F47-W80 AromaticContact CD1-CH2 3.9Å; F47-W80 HydrophobicContact CD1-CH2 3.9Å; F47-W80 AromaticContact CD1-CZ3 3.71Å; F47-W80 HydrophobicContact CD1-CZ3 3.71Å; F47-W80 AromaticContact CE1-CH2 3.66Å; F47-W80 HydrophobicContact CE1-CH2 3.66Å; F47-W80 AromaticContact CE1-CZ3 3.44Å; F47-W80 HydrophobicContact CE1-CZ3 3.44Å; F47-W80 VanDerWaalsContact CE1-CZ3 3.44Å; F47-W80 HydrophobicContact CZ-CZ3 4.48Å; G78-W80 VanDerWaalsContact C-N 3.27Å; G78-W80 PolarHBondContact O-N 3.01Å; W80-K82 PolarHBondContact O-N 3.48Å; W80-Q83 WeakPolarHBondContact O-CA 3.24Å; W80-Q83 WeakPolarHBondContact O-CB 3.45Å; W80-Q83 PolarHBondContact O-N 3.1Å; W80-V84 HydrophobicContact CE3-CG2 3.85Å; W80-V84 HydrophobicContact CZ3-CG2 4.12Å; W80-V84 WeakPolarHBondContact O-CG2 3.17Å; W80-V84 PolarHBondContact O-N 3.13Å
81E79.3Confident70.2Confident95 Ų9580.9 Ų80.944%0.44439%0.388SS..Hα-helixtrans-59.6-45.3176.2-64-178.7134.800111.9N79 Q83 V84 Q85N79-E81 VanDerWaalsContact C-N 3.3Å; N79-E81 PolarHBondContact O-N 3.39Å; E81-Q83 PolarHBondContact O-N 3.29Å; E81-V84 PolarHBondContact O-N 3.44Å; E81-Q85 VanDerWaalsContact O-CG 3.32Å; E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 2.86Å
82K81.4Confident71.7Confident121 Ų12174.9 Ų74.953%0.52637%0.365SS..Hα-helixtrans-63.9-28.6174.3-76.1-175.3-177.2-176.20113N79 W80 R86N79-K82 HydrophobicContact CB-CB 4.44Å; N79-K82 HydrophobicContact CB-CD 4.45Å; N79-K82 PolarHBondContact O-N 3.11Å; N79-K82 WeakPolarHBondContact OD1-CG 3.18Å; N79-K82 PolarHBondContact OD1-N 3.29Å; N79-K82 VanDerWaalsContact OD1-N 3.15Å; W80-K82 PolarHBondContact O-N 3.48Å; K82-R86 WeakPolarHBondContact O-CG 3.48Å; K82-R86 PolarHBondContact O-N 3.49Å; K82-R86 PolarHBondContact O-NE 2.92Å
83Q73.9Confident73Confident19 Ų1974.6 Ų74.69%0.08937%0.369CS..Hα-helixtrans-71.9-47.5174.8-67.7175.979.900110.3I17 R77 N79 W80 E81 Q85 R86 V87 A142I17-Q83 HydrophobicContact CD1-CB 3.28Å; I17-Q83 HydrophobicContact CD1-CG 4.44Å; R77-Q83 PolarHBondContact O-NE2 3.47Å; N79-Q83 PolarHBondContact O-N 3.01Å; W80-Q83 WeakPolarHBondContact O-CA 3.24Å; W80-Q83 WeakPolarHBondContact O-CB 3.45Å; W80-Q83 PolarHBondContact O-N 3.1Å; E81-Q83 PolarHBondContact O-N 3.29Å; Q83-Q85 VanDerWaalsContact C-N 3.3Å; Q83-Q85 PolarHBondContact O-N 3.06Å; Q83-R86 WeakPolarHBondContact O-CB 3.46Å; Q83-R86 PolarHBondContact O-N 2.95Å; Q83-R86 VanDerWaalsContact O-N 3.1Å; Q83-V87 PolarHBondContact O-N 2.9Å; Q83-V87 VanDerWaalsContact O-N 3.1Å; Q83-A142 HydrophobicContact CB-CB 4.47Å; Q83-A142 HydrophobicContact CG-CB 3.85Å; Q83-A142 VanDerWaalsContact OE1-CB 3.26Å
84V79.7Confident74.2Confident2 Ų269.2 Ų69.21%0.01234%0.336CS..Hα-helixtrans-54.8-49.2172.71780000110I17 F47 W80 E81 R86 V87 F88I17-V84 HydrophobicContact CB-CG2 4.39Å; I17-V84 HydrophobicContact CD1-CG2 3.64Å; I17-V84 HydrophobicContact CG1-CG2 4.23Å; F47-V84 HydrophobicContact CB-CG1 4.28Å; F47-V84 HydrophobicContact CD1-CG1 4.33Å; F47-V84 HydrophobicContact CD2-CG1 3.54Å; F47-V84 HydrophobicContact CE2-CG1 3.88Å; F47-V84 HydrophobicContact CG-CB 4.4Å; F47-V84 HydrophobicContact CG-CG1 3.78Å; F47-V84 HydrophobicContact CZ-CG1 4.42Å; W80-V84 HydrophobicContact CE3-CG2 3.85Å; W80-V84 HydrophobicContact CZ3-CG2 4.12Å; W80-V84 WeakPolarHBondContact O-CG2 3.17Å; W80-V84 PolarHBondContact O-N 3.13Å; E81-V84 PolarHBondContact O-N 3.44Å; V84-R86 VanDerWaalsContact C-N 3.28Å; V84-R86 PolarHBondContact O-N 3.01Å; V84-V87 WeakPolarHBondContact O-CB 3.29Å; V84-V87 PolarHBondContact O-N 3.25Å; V84-F88 HydrophobicContact CG1-CD2 3.55Å; V84-F88 HydrophobicContact CG1-CE2 3.41Å; V84-F88 VanDerWaalsContact CG1-CE2 3.41Å; V84-F88 VanDerWaalsContact O-CD2 3.31Å; V84-F88 WeakPolarHBondContact O-CD2 3.45Å; V84-F88 PolarHBondContact O-N 2.91Å
85Q84.8Confident75.3Confident58 Ų5868.3 Ų68.327%0.27133%0.332SS..Hα-helixtrans-54.5-43.4177.8-73.9174.8-1200112.6F47 L49 E81 Q83 V87 F88 H89F47-Q85 WeakPolarHBondContact O-CG 2.93Å; F47-Q85 PolarHBondContact O-NE2 3.38Å; L49-Q85 HydrophobicContact CD1-CB 4.23Å; L49-Q85 HydrophobicContact CD1-CG 3.98Å; L49-Q85 HydrophobicContact CD2-CG 4.41Å; L49-Q85 HydrophobicContact CG-CG 4.04Å; E81-Q85 VanDerWaalsContact O-CG 3.32Å; E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 2.86Å; Q83-Q85 VanDerWaalsContact C-N 3.3Å; Q83-Q85 PolarHBondContact O-N 3.06Å; Q85-V87 PolarHBondContact O-N 3.25Å; Q85-F88 PolarHBondContact O-N 3.25Å; Q85-H89 PolarHBondContact O-N 3.26Å; Q85-H89 PolarHBondContact O-ND1 3.38Å
86R80.3Confident76.5Confident122 Ų12265.7 Ų65.746%0.4633%0.332SS..Hα-helixtrans-60.4-44.5176.6-78.9-176.5-77.6175.5-3.8111.8K82 Q83 V84 F88 H89 S90K82-R86 WeakPolarHBondContact O-CG 3.48Å; K82-R86 PolarHBondContact O-N 3.49Å; K82-R86 PolarHBondContact O-NE 2.92Å; Q83-R86 WeakPolarHBondContact O-CB 3.46Å; Q83-R86 PolarHBondContact O-N 2.95Å; Q83-R86 VanDerWaalsContact O-N 3.1Å; V84-R86 VanDerWaalsContact C-N 3.28Å; V84-R86 PolarHBondContact O-N 3.01Å; R86-F88 PolarHBondContact O-N 3.45Å; R86-H89 PolarHBondContact O-N 2.81Å; R86-S90 WeakPolarHBondContact O-CB 3.48Å; R86-S90 PolarHBondContact O-N 3.42Å; R86-S90 PolarHBondContact O-OG 3.4Å; R86-S90 VanDerWaalsContact O-OG 3.06Å
87V77.6Confident77.3Confident10 Ų1065 Ų656%0.06134%0.335CS..Hα-helixtrans-57-49.6175.8175.70000111I3 I14 Q83 V84 Q85 H89 S90 I91I3-V87 HydrophobicContact CD1-CB 4.34Å; I3-V87 HydrophobicContact CD1-CG1 4.05Å; I3-V87 HydrophobicContact CD1-CG2 4.28Å; I14-V87 HydrophobicContact CG2-CG1 3.56Å; Q83-V87 PolarHBondContact O-N 2.9Å; Q83-V87 VanDerWaalsContact O-N 3.1Å; V84-V87 WeakPolarHBondContact O-CB 3.29Å; V84-V87 PolarHBondContact O-N 3.25Å; Q85-V87 PolarHBondContact O-N 3.25Å; V87-H89 PolarHBondContact O-N 3.32Å; V87-S90 WeakPolarHBondContact O-CB 3.22Å; V87-S90 PolarHBondContact O-N 3.03Å; V87-S90 VanDerWaalsContact O-N 3.14Å; V87-I91 HydrophobicContact CG1-CD1 3.94Å; V87-I91 HydrophobicContact CG1-CG1 4.39Å; V87-I91 WeakPolarHBondContact O-CG1 3.2Å; V87-I91 PolarHBondContact O-N 3.42Å
88F84.9Confident78Confident5 Ų556.9 Ų56.92%0.02231%0.306CS..Hα-helixtrans-64.7-37.6179.5-81.2-87.4000113.8F24 A25 T28 F47 L49 L51 V84 Q85 R86 S90 S92F24-F88 HydrophobicContact CB-CE1 4.14Å; F24-F88 HydrophobicContact CB-CZ 3.56Å; F24-F88 WeakPolarHBondContact O-CE1 3.49Å; A25-F88 HydrophobicContact CB-CE1 4.16Å; A25-F88 HydrophobicContact CB-CZ 3.86Å; T28-F88 HydrophobicContact CG2-CD1 4.19Å; T28-F88 HydrophobicContact CG2-CE1 4.44Å; T28-F88 VanDerWaalsContact OG1-CE1 3.3Å; T28-F88 WeakPolarHBondContact OG1-CE1 3.31Å; F47-F88 HydrophobicContact CD2-CE2 4.44Å; F47-F88 HydrophobicContact CE2-CE2 4.5Å; L49-F88 HydrophobicContact CD1-CB 3.56Å; L49-F88 HydrophobicContact CD1-CD2 4.43Å; L49-F88 HydrophobicContact CD1-CG 4.1Å; L51-F88 HydrophobicContact CD1-CD1 4.39Å; L51-F88 HydrophobicContact CD1-CE1 3.87Å; L51-F88 HydrophobicContact CD1-CZ 3.99Å; L51-F88 HydrophobicContact CD2-CD1 3.51Å; L51-F88 HydrophobicContact CD2-CE1 3.71Å; L51-F88 HydrophobicContact CD2-CG 4.19Å; L51-F88 HydrophobicContact CG-CE1 4.44Å; V84-F88 HydrophobicContact CG1-CD2 3.55Å; V84-F88 HydrophobicContact CG1-CE2 3.41Å; V84-F88 VanDerWaalsContact CG1-CE2 3.41Å; V84-F88 VanDerWaalsContact O-CD2 3.31Å; V84-F88 WeakPolarHBondContact O-CD2 3.45Å; V84-F88 PolarHBondContact O-N 2.91Å; Q85-F88 PolarHBondContact O-N 3.25Å; R86-F88 PolarHBondContact O-N 3.45Å; F88-S90 VanDerWaalsContact C-N 3.32Å; F88-S92 WeakPolarHBondContact O-CB 3.48Å; F88-S92 PolarHBondContact O-N 2.99Å; F88-S92 PolarHBondContact O-OG 3.26Å
89H84.6Confident78.4Confident116 Ų11661.6 Ų61.654%0.53731%0.307SS..Hα-helixtrans-64.3-40.3172.8-76.688.6000111.3Q85 R86 V87 S92 A93Q85-H89 PolarHBondContact O-N 3.26Å; Q85-H89 PolarHBondContact O-ND1 3.38Å; R86-H89 PolarHBondContact O-N 2.81Å; V87-H89 PolarHBondContact O-N 3.32Å; H89-S92 PolarHBondContact O-N 2.91Å; H89-A93 VanDerWaalsContact O-CB 3.24Å; H89-A93 WeakPolarHBondContact O-CB 3.26Å; H89-A93 PolarHBondContact O-N 3.45Å
90S78.4Confident78.3Confident16 Ų1663.4 Ų63.411%0.11232%0.323CS..Hα-helixtrans-64.6-46.6176.6-720000112.4R86 V87 F88 S92 A93 V94R86-S90 WeakPolarHBondContact O-CB 3.48Å; R86-S90 PolarHBondContact O-N 3.42Å; R86-S90 PolarHBondContact O-OG 3.4Å; R86-S90 VanDerWaalsContact O-OG 3.06Å; V87-S90 WeakPolarHBondContact O-CB 3.22Å; V87-S90 PolarHBondContact O-N 3.03Å; V87-S90 VanDerWaalsContact O-N 3.14Å; F88-S90 VanDerWaalsContact C-N 3.32Å; S90-S92 VanDerWaalsContact C-N 3.3Å; S90-S92 PolarHBondContact O-N 2.95Å; S90-A93 PolarHBondContact O-N 2.8Å; S90-V94 WeakPolarHBondContact O-CG2 3.35Å; S90-V94 PolarHBondContact O-N 3.23Å
91I80.1Confident78.4Confident7 Ų762 Ų624%0.03632%0.32CS..Hα-helixtrans-53.3-51.7173.2-67.9167.3000109.7I14 A25 T28 I29 V87 A93 V94 A95I14-I91 HydrophobicContact CD1-CD1 3.74Å; I14-I91 HydrophobicContact CD1-CG1 3.75Å; I14-I91 HydrophobicContact CG1-CG1 4.33Å; I14-I91 HydrophobicContact CG2-CD1 4.36Å; A25-I91 HydrophobicContact CB-CD1 3.94Å; T28-I91 HydrophobicContact CG2-CG2 4.18Å; I29-I91 HydrophobicContact CD1-CD1 4.44Å; I29-I91 HydrophobicContact CG1-CG2 3.72Å; V87-I91 HydrophobicContact CG1-CD1 3.94Å; V87-I91 HydrophobicContact CG1-CG1 4.39Å; V87-I91 WeakPolarHBondContact O-CG1 3.2Å; V87-I91 PolarHBondContact O-N 3.42Å; I91-A93 PolarHBondContact O-N 3.4Å; I91-V94 PolarHBondContact O-N 3.22Å; I91-A95 WeakPolarHBondContact O-CB 3.21Å; I91-A95 PolarHBondContact O-N 3Å
92S83.4Confident78.1Confident44 Ų4459.6 Ų59.631%0.30831%0.312SS..Hα-helixtrans-63.1-42.3-179-540000112.4Q32 F88 H89 S90 V94 C96Q32-S92 PolarHBondContact NE2-OG 3.03Å; F88-S92 WeakPolarHBondContact O-CB 3.48Å; F88-S92 PolarHBondContact O-N 2.99Å; F88-S92 PolarHBondContact O-OG 3.26Å; H89-S92 PolarHBondContact O-N 2.91Å; S90-S92 VanDerWaalsContact C-N 3.3Å; S90-S92 PolarHBondContact O-N 2.95Å; S92-V94 VanDerWaalsContact C-N 3.29Å; S92-V94 PolarHBondContact O-N 3.4Å; S92-C96 PolarHBondContact O-SG 3.26Å; S92-C96 VanDerWaalsContact O-SG 3.38Å
93A80.4Confident77.7Confident47 Ų4759 Ų5939%0.38832%0.321SS..Hα-helixtrans-62.8-38.217900000111.4H89 S90 I91 F97H89-A93 VanDerWaalsContact O-CB 3.24Å; H89-A93 WeakPolarHBondContact O-CB 3.26Å; H89-A93 PolarHBondContact O-N 3.45Å; S90-A93 PolarHBondContact O-N 2.8Å; I91-A93 PolarHBondContact O-N 3.4Å; A93-F97 WeakPolarHBondContact O-CD2 3.43Å; A93-F97 WeakPolarHBondContact O-CE2 3.15Å
94V72.8Confident77.6Confident10 Ų1068 Ų686%0.06136%0.36CS..Hα-helixtrans-83.6-33.1-177.9-1700000112.7L5 S90 I91 S92 C96 F97 L98 L139L5-V94 HydrophobicContact CB-CG1 3.86Å; L5-V94 HydrophobicContact CD1-CB 3.45Å; L5-V94 VanDerWaalsContact CD1-CB 3.45Å; L5-V94 HydrophobicContact CD1-CG1 3.3Å; L5-V94 HydrophobicContact CD1-CG2 3.51Å; L5-V94 HydrophobicContact CD2-CB 4.12Å; L5-V94 HydrophobicContact CD2-CG1 3.36Å; L5-V94 HydrophobicContact CG-CB 4.27Å; L5-V94 HydrophobicContact CG-CG1 3.62Å; S90-V94 WeakPolarHBondContact O-CG2 3.35Å; S90-V94 PolarHBondContact O-N 3.23Å; I91-V94 PolarHBondContact O-N 3.22Å; S92-V94 VanDerWaalsContact C-N 3.29Å; S92-V94 PolarHBondContact O-N 3.4Å; V94-C96 PolarHBondContact O-N 2.91Å; V94-F97 PolarHBondContact O-N 2.98Å; V94-L98 PolarHBondContact O-N 3.29Å; V94-L139 HydrophobicContact CG2-CD1 3.74Å; V94-L139 HydrophobicContact CG2-CD2 4.26Å; V94-L139 HydrophobicContact CG2-CG 4.41Å
95A76.6Confident77Confident19 Ų1969 Ų6916%0.15737%0.367CS..Hα-helixtrans-50.9-35.5174.100000112.2Q32 I91 F97 L98Q32-A95 HydrophobicContact CB-CB 4.15Å; I91-A95 WeakPolarHBondContact O-CB 3.21Å; I91-A95 PolarHBondContact O-N 3Å; A95-F97 PolarHBondContact O-N 3.25Å; A95-L98 PolarHBondContact O-N 2.84Å
96C73.9Confident76Confident106 Ų10673.4 Ų73.472%0.71639%0.388SS*.THydrogen-bonded Turntrans-62.5-21.3175.7-65.30000115.3S92 V94S92-C96 PolarHBondContact O-SG 3.26Å; S92-C96 VanDerWaalsContact O-SG 3.38Å; V94-C96 PolarHBondContact O-N 2.91Å
97F73.7Confident75.3Confident154 Ų15469.4 Ų69.468%0.67538%0.378SS*.THydrogen-bonded Turntrans-104.9-6-178.2-61.3-73.4000113.5A93 V94 A95A93-F97 WeakPolarHBondContact O-CD2 3.43Å; A93-F97 WeakPolarHBondContact O-CE2 3.15Å; V94-F97 PolarHBondContact O-N 2.98Å; A95-F97 PolarHBondContact O-N 3.25Å
98L72.3Confident74.7Confident33 Ų3372.4 Ų72.417%0.17339%0.394CS..SBendtrans-81.5142.9177.7-66.5179.1000110.4L5 V12 V94 A95L5-L98 HydrophobicContact CD2-CD1 3.8Å; L5-L98 HydrophobicContact CD2-CD2 3.91Å; L5-L98 HydrophobicContact CD2-CG 4.18Å; V12-L98 HydrophobicContact CG2-CD1 4.42Å; V94-L98 PolarHBondContact O-N 3.29Å; A95-L98 PolarHBondContact O-N 2.84Å
99K75.5Confident73.7Confident167 Ų16773.5 Ų73.573%0.72640%0.401SS*.PPolyproline II helixtrans-60.7148.1174.1-68.1179.8-179.3176.10109.9R33 L101R33-K99 PolarHBondContact NH1-O 2.84Å; R33-K99 PolarHBondContact NH2-O 3.06Å; K99-L101 PolarHBondContact O-N 3.34Å
100P76.7Confident72.8Confident122 Ų12269.1 Ų69.179%0.79238%0.38SS*.PPolyproline II helixtrans-53.8140.5167.8-23.533.9000110.3
101L75.5Confident72.2Confident29 Ų2970.8 Ų70.815%0.15239%0.386CS..PPolyproline II helixtrans-73.2147.9173.3-64.8178.2000109.7R33 L35 K99 C105 V153 T155R33-L101 HydrophobicContact CB-CD1 3.9Å; L35-L101 HydrophobicContact CD2-CD1 3.44Å; L35-L101 VanDerWaalsContact CD2-CD1 3.44Å; L35-L101 HydrophobicContact CG-CD1 3.95Å; K99-L101 PolarHBondContact O-N 3.34Å; L101-C105 HydrophobicContact CB-CB 4.08Å; L101-C105 HydrophobicContact CD1-CB 4.36Å; L101-V153 HydrophobicContact CD1-CG1 3.75Å; L101-V153 HydrophobicContact CD2-CG1 3.69Å; L101-V153 HydrophobicContact CG-CG1 4.41Å; L101-T155 HydrophobicContact CD2-CG2 3.51Å
102P74.3Confident71.3Confident44 Ų4476.7 Ų76.729%0.28641%0.408SS..PPolyproline II helixtrans-61.2156169.628-33.2000110.4C105 T155P102-C105 HydrophobicContact CG-CB 4.28Å; P102-C105 WeakPolarHBondContact O-CB 3.4Å; P102-C105 PolarHBondContact O-N 3.39Å; P102-T155 HydrophobicContact CG-CG2 4.08Å
103P72.1Confident70.4Confident108 Ų10876.5 Ų76.570%0.70140%0.404SS*.THydrogen-bonded Turntrans-55.2143.1168.8-21.132.7000110.5C105P103-C105 VanDerWaalsContact C-N 3.27Å; P103-C105 PolarHBondContact O-N 3.16Å
104F71.9Confident69.4Low210 Ų21076.5 Ų76.592%0.92140%0.4SS*.THydrogen-bonded Turntrans62.627.7178.7-43.3-74.1000115
105C67.3Low69Low23 Ų2381.8 Ų81.816%0.15543%0.434CS..  trans-63.5137170.8-170.50000111.1L35 L101 P102 P103 I154 T155L35-C105 HydrophobicContact CD2-CB 4.21Å; L101-C105 HydrophobicContact CB-CB 4.08Å; L101-C105 HydrophobicContact CD1-CB 4.36Å; P102-C105 HydrophobicContact CG-CB 4.28Å; P102-C105 WeakPolarHBondContact O-CB 3.4Å; P102-C105 PolarHBondContact O-N 3.39Å; P103-C105 VanDerWaalsContact C-N 3.27Å; P103-C105 PolarHBondContact O-N 3.16Å; C105-I154 PolarHBondContact SG-O 3.15Å; C105-I154 VanDerWaalsContact SG-O 3.33Å; C105-T155 VanDerWaalsContact SG-CG2 3.56Å
106E64Low68.5Low150 Ų15085.1 Ų85.170%0.70147%0.47SS*.  trans-94.7165.3169.5-62.2-171.717100110.2I154E106-I154 VanDerWaalsContact O-O 3.06Å
107C64.9Low68.1Low37 Ų3782.6 Ų82.625%0.2545%0.454CS..  trans-138.1115.3-176.8176.70000108.6L35L35-C107 HydrophobicContact CD1-CB 3.49Å; L35-C107 VanDerWaalsContact CD1-CB 3.49Å; L35-C107 HydrophobicContact CD2-CB 4.31Å
108D64.8Low67.7Low74 Ų7479.8 Ų79.840%0.39645%0.453SS..EExtended strand (participates in β ladder)trans-93.8138.9175.1-66.3-51.1000109.8H152 I154D108-H152 CarbonylContact C-O 3.46Å; D108-H152 PolarHBondContact N-O 3.01Å; D108-H152 CarbonylContact O-C 3.49Å; D108-H152 PolarHBondContact O-N 3.41Å; D108-I154 HydrophobicContact CB-CD1 4.25Å; D108-I154 HydrophobicContact CB-CG1 4.29Å; D108-I154 WeakPolarHBondContact OD2-CD1 3.19Å; D108-I154 WeakPolarHBondContact OD2-CG1 3.09Å
109V65.1Low67.4Low28 Ų2881.2 Ų81.217%0.1746%0.463CS..EExtended strand (participates in β ladder)trans-111.9114.8178.6-167.70000107.3F62 F111 F149 I151F62-V109 HydrophobicContact CE1-CG2 4.28Å; F62-V109 HydrophobicContact CZ-CB 4.47Å; F62-V109 HydrophobicContact CZ-CG2 3.94Å; V109-F111 HydrophobicContact CB-CE2 3.88Å; V109-F111 HydrophobicContact CB-CZ 3.69Å; V109-F111 HydrophobicContact CG1-CD1 4.27Å; V109-F111 HydrophobicContact CG1-CD2 4.47Å; V109-F111 HydrophobicContact CG1-CE1 3.49Å; V109-F111 VanDerWaalsContact CG1-CE1 3.49Å; V109-F111 HydrophobicContact CG1-CE2 3.67Å; V109-F111 HydrophobicContact CG1-CZ 3.09Å; V109-F111 WeakPolarHBondContact O-CD2 3.39Å; V109-F111 WeakPolarHBondContact O-CE2 3.05Å; V109-F149 HydrophobicContact CG1-CE2 3.33Å; V109-F149 HydrophobicContact CG1-CZ 3.52Å; V109-I151 HydrophobicContact CG1-CG1 4.26Å
110E65.6Low66.9Low24 Ų2474.7 Ų74.711%0.11244%0.438CS..EExtended strand (participates in β ladder)trans-105.2138.1-179.5-59.4-170.6-167.400109.7I126 R150 H152E110-I126 HydrophobicContact CB-CD1 4.05Å; E110-I126 HydrophobicContact CG-CD1 3.43Å; E110-I126 VanDerWaalsContact CG-CD1 3.43Å; E110-I126 WeakPolarHBondContact OE2-CD1 3.48Å; E110-R150 CarbonylContact C-O 3.34Å; E110-R150 PolarHBondContact N-O 3.09Å; E110-R150 CarbonylContact O-C 3.54Å; E110-R150 PolarHBondContact O-N 3.03Å; E110-H152 VanDerWaalsContact CD-CD2 3.49Å; E110-H152 VanDerWaalsContact CD-CG 3.47Å; E110-H152 HydrophobicContact CG-CB 4.15Å; E110-H152 IonicContact OE1-CD2 3.84Å; E110-H152 IonicContact OE1-CE1 3.53Å; E110-H152 IonicContact OE1-CG 3.34Å; E110-H152 IonicContact OE1-ND1 3.11Å; E110-H152 PolarHBondContact OE1-ND1 3.34Å; E110-H152 VanDerWaalsContact OE1-ND1 3.11Å; E110-H152 IonicContact OE2-CD2 3.69Å; E110-H152 IonicContact OE2-CE1 3.34Å; E110-H152 PolarHBondContact OE2-CE1 3.36Å; E110-H152 IonicContact OE2-CG 3.97Å; E110-H152 IonicContact OE2-ND1 3.75Å; E110-H152 IonicContact OE2-NE2 3.36Å; E110-H152 PolarHBondContact OE2-NE2 3.01Å
111F64.4Low66.6Low51 Ų5177.4 Ų77.422%0.22445%0.446CS..EExtended strand (participates in β ladder)trans-127.1131.5-174.7-51.2-90.6000110.7V66 F70 V109 I113 F149V66-F111 HydrophobicContact CB-CE1 4.43Å; V66-F111 HydrophobicContact CB-CZ 3.89Å; V66-F111 HydrophobicContact CG1-CE1 3.31Å; V66-F111 HydrophobicContact CG1-CE2 4.33Å; V66-F111 HydrophobicContact CG1-CZ 3.16Å; V66-F111 HydrophobicContact CG2-CE2 4.1Å; V66-F111 HydrophobicContact CG2-CZ 3.58Å; F70-F111 HydrophobicContact CD2-CD1 4.39Å; F70-F111 HydrophobicContact CD2-CE1 4.41Å; F70-F111 HydrophobicContact CE1-CB 3.81Å; F70-F111 AromaticContact CE1-CD1 3.76Å; F70-F111 HydrophobicContact CE1-CD1 3.76Å; F70-F111 HydrophobicContact CE1-CG 4.11Å; F70-F111 HydrophobicContact CE2-CB 4.46Å; F70-F111 AromaticContact CE2-CD1 3.17Å; F70-F111 HydrophobicContact CE2-CD1 3.17Å; F70-F111 AromaticContact CE2-CE1 3.28Å; F70-F111 HydrophobicContact CE2-CE1 3.28Å; F70-F111 AromaticContact CE2-CG 3.89Å; F70-F111 HydrophobicContact CE2-CG 3.89Å; F70-F111 HydrophobicContact CE2-CZ 4.16Å; F70-F111 HydrophobicContact CZ-CB 3.37Å; F70-F111 AromaticContact CZ-CD1 2.85Å; F70-F111 HydrophobicContact CZ-CD1 2.85Å; F70-F111 HydrophobicContact CZ-CD2 4.17Å; F70-F111 AromaticContact CZ-CE1 3.52Å; F70-F111 HydrophobicContact CZ-CE1 3.52Å; F70-F111 AromaticContact CZ-CG 3.22Å; F70-F111 HydrophobicContact CZ-CG 3.22Å; F70-F111 HydrophobicContact CZ-CZ 4.44Å; V109-F111 HydrophobicContact CB-CE2 3.88Å; V109-F111 HydrophobicContact CB-CZ 3.69Å; V109-F111 HydrophobicContact CG1-CD1 4.27Å; V109-F111 HydrophobicContact CG1-CD2 4.47Å; V109-F111 HydrophobicContact CG1-CE1 3.49Å; V109-F111 VanDerWaalsContact CG1-CE1 3.49Å; V109-F111 HydrophobicContact CG1-CE2 3.67Å; V109-F111 HydrophobicContact CG1-CZ 3.09Å; V109-F111 WeakPolarHBondContact O-CD2 3.39Å; V109-F111 WeakPolarHBondContact O-CE2 3.05Å; F111-I113 HydrophobicContact CB-CG1 4.37Å; F111-I113 PolarHBondContact O-N 3.42Å; F111-F149 AromaticContact CD1-CD2 3.36Å; F111-F149 HydrophobicContact CD1-CD2 3.36Å; F111-F149 AromaticContact CD1-CE2 3.36Å; F111-F149 HydrophobicContact CD1-CE2 3.36Å; F111-F149 AromaticContact CE1-CD2 3.69Å; F111-F149 HydrophobicContact CE1-CD2 3.69Å; F111-F149 AromaticContact CE1-CE2 3.18Å; F111-F149 HydrophobicContact CE1-CE2 3.18Å; F111-F149 HydrophobicContact CE1-CZ 4.26Å; F111-F149 HydrophobicContact CG-CD2 4.41Å; F111-F149 HydrophobicContact CG-CE2 4.45Å; F111-F149 HydrophobicContact CZ-CE2 4.09Å
112Y62.6Low66.2Low131 Ų13180.4 Ų80.451%0.51446%0.462SS..  trans-86.3105165.4-172.6-97.1000108.9D148Y112-D148 VanDerWaalsContact CB-O 3.31Å; Y112-D148 WeakPolarHBondContact CB-O 3.33Å
113I63.6Low65.7Low40 Ų4080.1 Ų80.121%0.20546%0.461CS..PPolyproline II helixtrans-90.1122.4175.6-61176.5000108.1F70 F111 S117 V119F70-I113 HydrophobicContact CE1-CG1 4.49Å; F111-I113 HydrophobicContact CB-CG1 4.37Å; F111-I113 PolarHBondContact O-N 3.42Å; I113-S117 VanDerWaalsContact CG2-CB 3.48Å; I113-V119 HydrophobicContact CD1-CG1 4.44Å; I113-V119 HydrophobicContact CD1-CG2 4.17Å
114P60.1Low65.5Low47 Ų4783.3 Ų83.331%0.30547%0.466SS..PPolyproline II helixtrans-57.9143.8177.3-24.333.3000111.7G116 S117P114-G116 PolarHBondContact O-N 3.04Å; P114-S117 PolarHBondContact O-N 3Å; P114-S117 PolarHBondContact O-OG 3.01Å; P114-S117 VanDerWaalsContact O-OG 3.07Å
115P64.2Low65.2Low120 Ų12079.3 Ų79.378%0.77946%0.459SS*.THydrogen-bonded Turntrans-52.8126.6176-23.932000111.5
116G65.9Low65.1Low89 Ų8982.2 Ų82.292%0.91847%0.472SS*.THydrogen-bonded Turntrans102.8-4.8179.400000115.7P114P114-G116 PolarHBondContact O-N 3.04Å
117S65.5Low64.8Low53 Ų5382.1 Ų82.137%0.37148%0.476SS..SBendtrans-88.4152.9170.4-32.90000110.7I113 P114I113-S117 VanDerWaalsContact CG2-CB 3.48Å; P114-S117 PolarHBondContact O-N 3Å; P114-S117 PolarHBondContact O-OG 3.01Å; P114-S117 VanDerWaalsContact O-OG 3.07Å
118S64.6Low64.5Low96 Ų9683.1 Ų83.167%0.67148%0.482SS*.PPolyproline II helixtrans-77.3127.8176.150.60000111.1
119V66.3Low63.7Low63 Ų6386.4 Ų86.438%0.38250%0.497SS..PPolyproline II helixtrans-76.8129.7169.3-175.80000107.9I113 C123 V125I113-V119 HydrophobicContact CD1-CG1 4.44Å; I113-V119 HydrophobicContact CD1-CG2 4.17Å; V119-C123 HydrophobicContact CG1-CB 3.8Å; V119-V125 HydrophobicContact CG1-CG2 4.39Å; V119-V125 HydrophobicContact CG2-CG2 4.28Å
120P66.4Low62.9Low29 Ų2991.2 Ų91.219%0.18852%0.516CS..PPolyproline II helixtrans-58.9147.6173.4-22.231.7000112.2A69 D122 C123A69-P120 HydrophobicContact CB-CG 3.2Å; P120-D122 WeakPolarHBondContact CB-OD1 3.07Å; P120-D122 PolarHBondContact O-N 3.32Å; P120-D122 VanDerWaalsContact O-N 3.16Å; P120-C123 HydrophobicContact CB-CB 4.28Å; P120-C123 HydrophobicContact CG-CB 4.42Å; P120-C123 WeakPolarHBondContact O-CB 3.49Å; P120-C123 PolarHBondContact O-N 2.82Å
121D69.1Low62.1Low179 Ų17991.9 Ų91.996%0.95752%0.522SS*.THydrogen-bonded Turntrans-63.4-21.5-178-65.9-33.7000113.6
122D66.8Low61Low92 Ų9299.7 Ų99.749%0.49256%0.556SS.*THydrogen-bonded Turntrans-91.80.2177.167.4-32.5000113.6R65 P120R65-D122 VanDerWaalsContact CD-OD2 3.29Å; R65-D122 WeakPolarHBondContact CD-OD2 3.36Å; R65-D122 IonicContact CZ-OD2 3.85Å; R65-D122 IonicContact NE-OD2 2.8Å; R65-D122 PolarHBondContact NE-OD2 2.69Å; P120-D122 WeakPolarHBondContact CB-OD1 3.07Å; P120-D122 PolarHBondContact O-N 3.32Å; P120-D122 VanDerWaalsContact O-N 3.16Å
123C64.2Low59.7Low39 Ų3997.8 Ų97.826%0.26456%0.562SS.*  trans-103.2132.7177.8-66.70000110.9V119 P120V119-C123 HydrophobicContact CG1-CB 3.8Å; P120-C123 HydrophobicContact CB-CB 4.28Å; P120-C123 HydrophobicContact CG-CB 4.42Å; P120-C123 WeakPolarHBondContact O-CB 3.49Å; P120-C123 PolarHBondContact O-N 2.82Å
124E68.3Low58.5Low174 Ų17497.8 Ų97.881%0.81357%0.565SS**  trans-93.6136.1172.8-64.2-171.1173.200111.1I126E124-I126 PolarHBondContact O-N 3.17Å; E124-I126 VanDerWaalsContact O-N 3.09Å
125V64.9Low57.5Low127 Ų127102.5 Ų102.577%0.7758%0.581SS**  trans-74.2103.5171.5-178.90000108.3V119V119-V125 HydrophobicContact CG1-CG2 4.39Å; V119-V125 HydrophobicContact CG2-CG2 4.28Å
126I66Low56.6Low83 Ų83100.9 Ų100.943%0.42657%0.566SS.*  trans-91.5149.8177.361.5172.9000111.4E110 E124E110-I126 HydrophobicContact CB-CD1 4.05Å; E110-I126 HydrophobicContact CG-CD1 3.43Å; E110-I126 VanDerWaalsContact CG-CD1 3.43Å; E110-I126 WeakPolarHBondContact OE2-CD1 3.48Å; E124-I126 PolarHBondContact O-N 3.17Å; E124-I126 VanDerWaalsContact O-N 3.09Å
127N57.1Low55.5Low148 Ų14899.8 Ų99.879%0.79154%0.537SS*.  trans-79.2120.3163.8-170.511.1000107M129N127-M129 PolarHBondContact O-N 2.74Å
128P57.9Low54.3Low58 Ų58102.9 Ų102.938%0.37755%0.549SS..  trans-51.8114.6-172.615.9-30.8000110.9F130P128-F130 VanDerWaalsContact C-N 3.28Å; P128-F130 HydrophobicContact CB-CD2 4.2Å; P128-F130 HydrophobicContact CB-CE2 3.74Å; P128-F130 HydrophobicContact CB-CZ 4.17Å; P128-F130 HydrophobicContact CG-CD2 4.46Å; P128-F130 HydrophobicContact CG-CE2 3.75Å; P128-F130 HydrophobicContact CG-CZ 4.36Å; P128-F130 WeakPolarHBondContact O-CD2 2.98Å; P128-F130 PolarHBondContact O-N 3.23Å
129M49Very low53.1Low144 Ų14499.7 Ų99.771%0.70952%0.524SS*.  trans-78.185.8178.4-169.9173.5-177.600107.7N127 P131N127-M129 PolarHBondContact O-N 2.74Å; M129-P131 VanDerWaalsContact O-CD 3.24Å; M129-P131 WeakPolarHBondContact O-CD 3.05Å
130F49.2Very low51.7Low129 Ų129101.6 Ų101.657%0.56654%0.538SS*.  trans-68.4120.7172-68.5-82.1000109.1P128 K132P128-F130 VanDerWaalsContact C-N 3.28Å; P128-F130 HydrophobicContact CB-CD2 4.2Å; P128-F130 HydrophobicContact CB-CE2 3.74Å; P128-F130 HydrophobicContact CB-CZ 4.17Å; P128-F130 HydrophobicContact CG-CD2 4.46Å; P128-F130 HydrophobicContact CG-CE2 3.75Å; P128-F130 HydrophobicContact CG-CZ 4.36Å; P128-F130 WeakPolarHBondContact O-CD2 2.98Å; P128-F130 PolarHBondContact O-N 3.23Å; F130-K132 PolarHBondContact O-N 3.49Å; F130-K132 VanDerWaalsContact O-N 3.15Å
131P48.3Very low50.4Low37 Ų37103.6 Ų103.624%0.2455%0.553CS.*  trans-59.7123.2166.123.3-30000108.4S9 V11 M129 S133S9-P131 WeakPolarHBondContact OG-CB 3.38Å; S9-P131 WeakPolarHBondContact OG-CG 3.37Å; V11-P131 HydrophobicContact CG2-CG 4.4Å; M129-P131 VanDerWaalsContact O-CD 3.24Å; M129-P131 WeakPolarHBondContact O-CD 3.05Å; P131-S133 PolarHBondContact O-N 2.78Å
132K40.7Very low48.8Very low215 Ų21595.9 Ų95.994%0.93551%0.514SS*.THydrogen-bonded Turntrans-63.4-2.9-169.1-67.9-178.6178.6176.10115.1F130F130-K132 PolarHBondContact O-N 3.49Å; F130-K132 VanDerWaalsContact O-N 3.15Å
133S35.8Very low47.4Very low91 Ų9199.4 Ų99.464%0.63653%0.532SS*.THydrogen-bonded Turntrans-161.565.9-178.8700000113.7S8 P131S8-S133 WeakPolarHBondContact CB-O 3.24Å; S8-S133 PolarHBondContact OG-O 2.96Å; P131-S133 PolarHBondContact O-N 2.78Å
134S38.9Very low46.3Very low40 Ų4099.7 Ų99.728%0.2853%0.533SS..  trans-89.6132.617451.20000113.2C6 S8 D136C6-S134 WeakPolarHBondContact SG-CB 3.48Å; C6-S134 PolarHBondContact SG-OG 3.09Å; S8-S134 WeakPolarHBondContact OG-CA 3.44Å; S134-D136 PolarHBondContact O-N 3.35Å
135K38.1Very low45Very low147 Ų14794 Ų9464%0.63952%0.52SS*.  trans-80.7107.1160.6-113.3-178.8-179.6176.30107.3R7R7-K135 HydrophobicContact CB-CB 4.12Å; R7-K135 PolarHBondContact N-O 3.02Å
136D45.7Very low43.9Very low86 Ų8693.4 Ų93.446%0.4652%0.519SS..EExtended strand (participates in β ladder)trans-70.5127.7175.1-69.3-44.5000110.8S4 S134S4-D136 WeakPolarHBondContact CB-OD1 2.89Å; S4-D136 PolarHBondContact OG-OD1 2.83Å; S134-D136 PolarHBondContact O-N 3.35Å
137H42.4Very low42.8Very low65 Ų6590.3 Ų90.330%0.30151%0.507SS..EExtended strand (participates in β ladder)trans-92105.1162.3-78.9-141.8000108.1L5 R7 L139L5-H137 PolarHBondContact O-N 3.3Å; R7-H137 PolarHBondContact NE-NE2 3.19Å; H137-L139 PolarHBondContact O-N 3.43Å
138N40.5Very low42.4Very low119 Ų11986.7 Ų86.764%0.63649%0.487SS*.PPolyproline II helixtrans-74.4122.1176.2-65.1-17000110.1
139L39.8Very low42Very low29 Ų2984.5 Ų84.515%0.15247%0.471CS..PPolyproline II helixtrans-99.8154.3171.8-73.3158.6000110.7I3 L5 V94 H137 S141I3-L139 HydrophobicContact CB-CB 3.98Å; I3-L139 HydrophobicContact CB-CD1 3.52Å; I3-L139 HydrophobicContact CB-CG 4.34Å; I3-L139 HydrophobicContact CD1-CD1 4.24Å; I3-L139 HydrophobicContact CG1-CD1 4.49Å; I3-L139 HydrophobicContact CG2-CD1 3.38Å; I3-L139 WeakPolarHBondContact O-CD1 3.49Å; L5-L139 HydrophobicContact CD1-CD1 4.13Å; V94-L139 HydrophobicContact CG2-CD1 3.74Å; V94-L139 HydrophobicContact CG2-CD2 4.26Å; V94-L139 HydrophobicContact CG2-CG 4.41Å; H137-L139 PolarHBondContact O-N 3.43Å; L139-S141 PolarHBondContact O-N 3.48Å
140P37.4Very low42.1Very low102 Ų10280.9 Ų80.966%0.66245%0.45SS*.PPolyproline II helixtrans-63.1126.4-170.9-18.830.8000112.9
141S37.5Very low42.2Very low72 Ų7274.9 Ų74.950%0.50342%0.424SS..PPolyproline II helixtrans-81.2147.2-174.466.30000114.3M1 L139M1-S141 WeakPolarHBondContact O-CA 3.4Å; M1-S141 WeakPolarHBondContact O-CB 3.36Å; L139-S141 PolarHBondContact O-N 3.48Å
142A37Very low42.3Very low16 Ų1673.7 Ų73.713%0.13242%0.415CS..  trans-125.2139.5163.600000109.1M1 Q83 V144M1-A142 VanDerWaalsContact CB-O 3.29Å; M1-A142 WeakPolarHBondContact CB-O 3.28Å; Q83-A142 HydrophobicContact CB-CB 4.47Å; Q83-A142 HydrophobicContact CG-CB 3.85Å; Q83-A142 VanDerWaalsContact OE1-CB 3.26Å; A142-V144 PolarHBondContact O-N 3.11Å; A142-V144 VanDerWaalsContact O-N 3.1Å
143N35.9Very low42.4Very low166 Ų16663.8 Ų63.889%0.88837%0.372SS*.  trans-70.1101.4-174-70.6-45.1000111.6
144V41.8Very low42.6Very low46 Ų4662.6 Ų62.628%0.27936%0.358SS..  trans-140.5149.3172.6-1690000108.7M1 I17 A142M1-V144 HydrophobicContact CE-CB 3.83Å; M1-V144 HydrophobicContact CE-CG1 4.46Å; M1-V144 HydrophobicContact CE-CG2 4.27Å; I17-V144 HydrophobicContact CG1-CG2 4.41Å; I17-V144 HydrophobicContact CG2-CG1 4.27Å; A142-V144 PolarHBondContact O-N 3.11Å; A142-V144 VanDerWaalsContact O-N 3.1Å
145G42.1Very low42.2Very low53 Ų5362.2 Ų62.255%0.54635%0.354SS..  trans-64.5-171.4-163.900000118.1A147G145-A147 VanDerWaalsContact C-N 3.33Å; G145-A147 PolarHBondContact O-N 2.97Å
146P40.9Very low41.9Very low115 Ų11563.4 Ų63.475%0.74736%0.362SS*.SBendtrans-83.428.8-150.635.3-39.2000116.8
147A43Very low41.3Very low19 Ų1971.3 Ų71.316%0.15739%0.393CS..  trans-103.8101.3176.600000110V72 G145V72-A147 HydrophobicContact CG1-CB 4.32Å; V72-A147 HydrophobicContact CG2-CB 3.89Å; G145-A147 VanDerWaalsContact C-N 3.33Å; G145-A147 PolarHBondContact O-N 2.97Å
148D49.1Very low41.3Very low71 Ų7171.7 Ų71.738%0.3840%0.397SS..  trans-89.9131.8175.8-67.9-2.6000109.3Y112Y112-D148 VanDerWaalsContact CB-O 3.31Å; Y112-D148 WeakPolarHBondContact CB-O 3.33Å
149F48.9Very low41.3Very low12 Ų1269.2 Ų69.25%0.05339%0.385CS..EExtended strand (participates in β ladder)trans-120.6136.7178.6165.8-96.9000110.8I14 F16 I26 V109 F111 I151I14-F149 CarbonylContact C-O 3.52Å; I14-F149 HydrophobicContact CB-CD1 4.42Å; I14-F149 PolarHBondContact N-O 2.93Å; I14-F149 VanDerWaalsContact O-CB 3.25Å; I14-F149 WeakPolarHBondContact O-CB 3.1Å; I14-F149 WeakPolarHBondContact O-CD1 3.32Å; F16-F149 HydrophobicContact CD2-CB 3.99Å; F16-F149 AromaticContact CD2-CD1 3.6Å; F16-F149 HydrophobicContact CD2-CD1 3.6Å; F16-F149 HydrophobicContact CD2-CE1 4.17Å; F16-F149 AromaticContact CD2-CG 3.85Å; F16-F149 HydrophobicContact CD2-CG 3.85Å; F16-F149 HydrophobicContact CE2-CB 4.24Å; F16-F149 AromaticContact CE2-CD1 2.97Å; F16-F149 HydrophobicContact CE2-CD1 2.97Å; F16-F149 HydrophobicContact CE2-CD2 4.46Å; F16-F149 AromaticContact CE2-CE1 3.16Å; F16-F149 HydrophobicContact CE2-CE1 3.16Å; F16-F149 AromaticContact CE2-CG 3.64Å; F16-F149 HydrophobicContact CE2-CG 3.64Å; F16-F149 HydrophobicContact CE2-CZ 4.02Å; F16-F149 AromaticContact CZ-CD1 3.68Å; F16-F149 HydrophobicContact CZ-CD1 3.68Å; F16-F149 AromaticContact CZ-CE1 3.69Å; F16-F149 HydrophobicContact CZ-CE1 3.69Å; I26-F149 HydrophobicContact CD1-CZ 3.96Å; I26-F149 HydrophobicContact CG1-CE1 4.22Å; I26-F149 HydrophobicContact CG1-CZ 3.83Å; V109-F149 HydrophobicContact CG1-CE2 3.33Å; V109-F149 HydrophobicContact CG1-CZ 3.52Å; F111-F149 AromaticContact CD1-CD2 3.36Å; F111-F149 HydrophobicContact CD1-CD2 3.36Å; F111-F149 AromaticContact CD1-CE2 3.36Å; F111-F149 HydrophobicContact CD1-CE2 3.36Å; F111-F149 AromaticContact CE1-CD2 3.69Å; F111-F149 HydrophobicContact CE1-CD2 3.69Å; F111-F149 AromaticContact CE1-CE2 3.18Å; F111-F149 HydrophobicContact CE1-CE2 3.18Å; F111-F149 HydrophobicContact CE1-CZ 4.26Å; F111-F149 HydrophobicContact CG-CD2 4.41Å; F111-F149 HydrophobicContact CG-CE2 4.45Å; F111-F149 HydrophobicContact CZ-CE2 4.09Å; F149-I151 HydrophobicContact CD1-CG1 4.32Å; F149-I151 HydrophobicContact CE1-CD1 3.32Å; F149-I151 HydrophobicContact CE1-CG1 3.25Å; F149-I151 HydrophobicContact CE2-CG1 4.27Å; F149-I151 HydrophobicContact CZ-CD1 3.6Å; F149-I151 HydrophobicContact CZ-CG1 3.24Å
150R50.6Low41.4Very low69 Ų6971.4 Ų71.426%0.2640%0.398SS..EExtended strand (participates in β ladder)trans-130116-173.3-55.7-165.5173.4167.91.5111.1N13 E110N13-R150 WeakPolarHBondContact OD1-CD 3.44Å; N13-R150 WeakPolarHBondContact OD1-CG 2.99Å; N13-R150 PolarHBondContact OD1-NE 3.46Å; E110-R150 CarbonylContact C-O 3.34Å; E110-R150 PolarHBondContact N-O 3.09Å; E110-R150 CarbonylContact O-C 3.54Å; E110-R150 PolarHBondContact O-N 3.03Å
151I51.2Low41.6Very low2 Ų269.6 Ų69.61%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-92.6121169.7-67.2162.6000108.5V12 I26 I29 V109 F149 V153V12-I151 PolarHBondContact N-O 3.37Å; V12-I151 PolarHBondContact O-N 3.33Å; I26-I151 HydrophobicContact CG1-CD1 4.12Å; I29-I151 HydrophobicContact CD1-CD1 3.25Å; I29-I151 HydrophobicContact CG1-CD1 4.48Å; V109-I151 HydrophobicContact CG1-CG1 4.26Å; F149-I151 HydrophobicContact CD1-CG1 4.32Å; F149-I151 HydrophobicContact CE1-CD1 3.32Å; F149-I151 HydrophobicContact CE1-CG1 3.25Å; F149-I151 HydrophobicContact CE2-CG1 4.27Å; F149-I151 HydrophobicContact CZ-CD1 3.6Å; F149-I151 HydrophobicContact CZ-CG1 3.24Å; I151-V153 HydrophobicContact CG2-CG2 4.05Å
152H50.1Low41.9Very low13 Ų1369.4 Ų69.46%0.0638%0.375CS..EExtended strand (participates in β ladder)trans-103.796.7176.6-75.2-124.5000108.2D108 E110 I154D108-H152 CarbonylContact C-O 3.46Å; D108-H152 PolarHBondContact N-O 3.01Å; D108-H152 CarbonylContact O-C 3.49Å; D108-H152 PolarHBondContact O-N 3.41Å; E110-H152 VanDerWaalsContact CD-CD2 3.49Å; E110-H152 VanDerWaalsContact CD-CG 3.47Å; E110-H152 HydrophobicContact CG-CB 4.15Å; E110-H152 IonicContact OE1-CD2 3.84Å; E110-H152 IonicContact OE1-CE1 3.53Å; E110-H152 IonicContact OE1-CG 3.34Å; E110-H152 IonicContact OE1-ND1 3.11Å; E110-H152 PolarHBondContact OE1-ND1 3.34Å; E110-H152 VanDerWaalsContact OE1-ND1 3.11Å; E110-H152 IonicContact OE2-CD2 3.69Å; E110-H152 IonicContact OE2-CE1 3.34Å; E110-H152 PolarHBondContact OE2-CE1 3.36Å; E110-H152 IonicContact OE2-CG 3.97Å; E110-H152 IonicContact OE2-ND1 3.75Å; E110-H152 IonicContact OE2-NE2 3.36Å; E110-H152 PolarHBondContact OE2-NE2 3.01Å; H152-I154 HydrophobicContact CB-CG1 4.43Å; H152-I154 PolarHBondContact O-N 3.44Å
153V43.3Very low42.2Very low6 Ų673 Ų734%0.03639%0.391CS..  trans-78.298.1169.2-169.80000107.8N10 L101 I151 T155N10-V153 HydrophobicContact CB-CB 4.08Å; N10-V153 WeakPolarHBondContact O-CB 3.43Å; N10-V153 PolarHBondContact O-N 2.88Å; L101-V153 HydrophobicContact CD1-CG1 3.75Å; L101-V153 HydrophobicContact CD2-CG1 3.69Å; L101-V153 HydrophobicContact CG-CG1 4.41Å; I151-V153 HydrophobicContact CG2-CG2 4.05Å; V153-T155 PolarHBondContact O-N 2.89Å
154I39.7Very low42.7Very low67 Ų6766.4 Ų66.434%0.34436%0.355SS..  trans-80.8114.3176.1-53.8-163000108.2C105 E106 D108 H152 E156C105-I154 PolarHBondContact SG-O 3.15Å; C105-I154 VanDerWaalsContact SG-O 3.33Å; E106-I154 VanDerWaalsContact O-O 3.06Å; D108-I154 HydrophobicContact CB-CD1 4.25Å; D108-I154 HydrophobicContact CB-CG1 4.29Å; D108-I154 WeakPolarHBondContact OD2-CD1 3.19Å; D108-I154 WeakPolarHBondContact OD2-CG1 3.09Å; H152-I154 HydrophobicContact CB-CG1 4.43Å; H152-I154 PolarHBondContact O-N 3.44Å; I154-E156 HydrophobicContact CG2-CG 4.45Å
155T32Very low42.7Very low31 Ų3167.9 Ų67.919%0.1936%0.361CS..  trans-97.7105.2167.355.60000107.6N10 L101 P102 C105 V153N10-T155 VanDerWaalsContact ND2-CG2 3.28Å; N10-T155 WeakPolarHBondContact ND2-CG2 3.2Å; L101-T155 HydrophobicContact CD2-CG2 3.51Å; P102-T155 HydrophobicContact CG-CG2 4.08Å; C105-T155 VanDerWaalsContact SG-CG2 3.56Å; V153-T155 PolarHBondContact O-N 2.89Å
156E30.7Very low42.8Very low173 Ų17369.2 Ų69.281%0.80835%0.346SS*.  trans-67.7136.9165.2-62.4-161.9152.700109.3I154I154-E156 HydrophobicContact CG2-CG 4.45Å
157F33.8Very low42.9Very low252 Ų25265 Ų65100%1.10531%0.309SS*.  trans-115.40166.7-77.3-76000108.7

Retrieved 157 of 157 residues in 45.9 ms (Link to these results)

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