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Signal recognition particle 9 kDa protein

Component of the signal recognition particle (SRP) complex, a ribonucleoprotein complex that mediates the cotranslational targeting of secretory and membrane proteins to the endoplasmic reticulum (ER). SRP9 together with SRP14 and the Alu portion of the SRP RNA, constitutes the elongation arrest domain of SRP. The complex of SRP9 and SRP14 is required for SRP RNA binding.

AlphaFold DB , UniProt , Accession A0A077Z7N3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 79 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
1M57.2Low89.9Confident141 Ų14172.9 Ų72.970%0.69539%0.394SS*.  0136.10-74.8-156.9-158.900109.2C48M1-C48 HydrophobicContact CE-CB 3.92Å; M1-C48 HydrophobicContact SD-CB 3.45Å; M1-C48 WeakPolarHBondContact SD-CB 3.45Å; M1-C48 PolarHBondContact SD-N 2.85Å
2P77.4Confident90.5Very high109 Ų10980 Ų8071%0.70841%0.411SS*.PPolyproline II helixtrans-69.9149.6-172.628.7-33.2000111.5
3F88.4Confident91Very high99 Ų9975.6 Ų75.643%0.43439%0.394SS..EExtended strand (participates in β ladder)trans-79.9139.3166.9-76.3-97.6000109R50F3-R50 CarbonylContact C-O 3.58Å; F3-R50 WeakPolarHBondContact CA-O 3.25Å; F3-R50 HydrophobicContact CD1-CB 3.73Å; F3-R50 HydrophobicContact CE1-CB 3.86Å; F3-R50 HydrophobicContact CG-CB 4.21Å; F3-R50 HydrophobicContact CZ-CB 4.45Å
4F96.1Very high91.4Very high54 Ų5470.2 Ų70.224%0.23737%0.366CS..EExtended strand (participates in β ladder)trans-69.3134.7162.1-73.3-98.2000108.7E9 F10 A13 L49 R50 Y51F4-E9 HydrophobicContact CD1-CB 3.98Å; F4-E9 HydrophobicContact CE1-CB 4.33Å; F4-F10 HydrophobicContact CB-CB 3.77Å; F4-F10 HydrophobicContact CB-CD2 4.27Å; F4-F10 HydrophobicContact CB-CG 4.44Å; F4-F10 HydrophobicContact CD1-CB 4.28Å; F4-F10 HydrophobicContact CD2-CB 4.5Å; F4-F10 AromaticContact CD2-CD2 3.88Å; F4-F10 HydrophobicContact CD2-CD2 3.88Å; F4-F10 HydrophobicContact CG-CB 3.94Å; F4-F10 HydrophobicContact CG-CD2 4.16Å; F4-A13 HydrophobicContact CE1-CB 4.07Å; F4-A13 HydrophobicContact CZ-CB 3.73Å; F4-L49 HydrophobicContact CE2-CB 4.05Å; F4-L49 HydrophobicContact CE2-CD2 3.62Å; F4-L49 HydrophobicContact CE2-CG 4.37Å; F4-L49 HydrophobicContact CZ-CD2 3.93Å; F4-R50 PolarHBondContact N-O 2.83Å; F4-Y51 HydrophobicContact CB-CD2 4.22Å; F4-Y51 VanDerWaalsContact O-CD2 3.32Å; F4-Y51 WeakPolarHBondContact O-CD2 3.47Å
5S92.9Very high91.7Very high113 Ų11371.1 Ų71.179%0.7937%0.368SS*.SBendtrans-93.1-23.2173.752.10000112.4
6N94.8Very high91.9Very high65 Ų6574.5 Ų74.535%0.34838%0.383SS..  trans-106.2131.6179.5-178.6-77.9000111.3D8 E9 F10N6-D8 WeakPolarHBondContact OD1-CA 3.42Å; N6-D8 WeakPolarHBondContact OD1-CB 3.38Å; N6-D8 PolarHBondContact OD1-N 3.12Å; N6-E9 HydrophobicContact CB-CB 4.24Å; N6-E9 HydrophobicContact CB-CG 4.15Å; N6-E9 PolarHBondContact OD1-N 3.2Å; N6-F10 WeakPolarHBondContact O-CB 3.41Å; N6-F10 PolarHBondContact O-N 3.46Å; N6-F10 VanDerWaalsContact O-N 3.15Å
7W95.8Very high92.1Very high18 Ų1871.1 Ų71.17%0.06837%0.366CS..Hα-helixtrans-63.1-44.6179.8173.1-89.1000112.8E9 F10 A11 L40 Y51 D58 R61 L62 L65W7-E9 PolarHBondContact O-N 3.38Å; W7-F10 HydrophobicContact CZ3-CD1 4.41Å; W7-F10 WeakPolarHBondContact O-CB 3.47Å; W7-F10 PolarHBondContact O-N 3.33Å; W7-A11 WeakPolarHBondContact O-CB 3.27Å; W7-A11 PolarHBondContact O-N 3.39Å; W7-L40 HydrophobicContact CH2-CD1 3.95Å; W7-L40 HydrophobicContact CZ3-CD1 3.59Å; W7-Y51 HydrophobicContact CB-CE2 4.45Å; W7-Y51 AromaticContact CE3-CD1 3.98Å; W7-Y51 HydrophobicContact CE3-CD1 3.98Å; W7-Y51 AromaticContact CE3-CE1 3.49Å; W7-Y51 HydrophobicContact CE3-CE1 3.49Å; W7-Y51 VanDerWaalsContact CE3-CE1 3.49Å; W7-Y51 AromaticContact CE3-CZ 3.84Å; W7-Y51 HydrophobicContact CZ3-CD1 4.05Å; W7-Y51 AromaticContact CZ3-CE1 3.89Å; W7-Y51 HydrophobicContact CZ3-CE1 3.89Å; W7-D58 HydrophobicContact CE3-CB 4.28Å; W7-R61 HydrophobicContact CD2-CB 3.94Å; W7-R61 VanDerWaalsContact CE2-CB 3.4Å; W7-R61 HydrophobicContact CE3-CB 4.46Å; W7-R61 HydrophobicContact CG-CB 4.5Å; W7-R61 HydrophobicContact CH2-CB 4.14Å; W7-R61 HydrophobicContact CZ2-CB 3.53Å; W7-R61 WeakPolarHBondContact CZ2-O 3.38Å; W7-L62 HydrophobicContact CH2-CB 4.05Å; W7-L65 HydrophobicContact CH2-CD2 4.12Å; W7-L65 HydrophobicContact CZ2-CB 4.1Å; W7-L65 HydrophobicContact CZ2-CD2 3.98Å
8D96.2Very high92.3Very high85 Ų8567.4 Ų67.446%0.45535%0.347SS..Hα-helixtrans-69.1-36.8-173.1-58-50.6000111.2N6 R12N6-D8 WeakPolarHBondContact OD1-CA 3.42Å; N6-D8 WeakPolarHBondContact OD1-CB 3.38Å; N6-D8 PolarHBondContact OD1-N 3.12Å; D8-R12 VanDerWaalsContact O-CB 3.3Å; D8-R12 WeakPolarHBondContact O-CB 3.4Å; D8-R12 PolarHBondContact O-N 3.37Å
9E96.3Very high92.4Very high104 Ų10467.6 Ų67.649%0.48636%0.359SS..Hα-helixtrans-65-43.9171.1-68.4-179.5175.700111.7F4 N6 W7 R12 A13F4-E9 HydrophobicContact CD1-CB 3.98Å; F4-E9 HydrophobicContact CE1-CB 4.33Å; N6-E9 HydrophobicContact CB-CB 4.24Å; N6-E9 HydrophobicContact CB-CG 4.15Å; N6-E9 PolarHBondContact OD1-N 3.2Å; W7-E9 PolarHBondContact O-N 3.38Å; E9-R12 PolarHBondContact O-N 3.2Å; E9-A13 WeakPolarHBondContact O-CB 3.35Å; E9-A13 PolarHBondContact O-N 3.39Å
10F97Very high92.5Very high0 Ų070 Ų700%038%0.376CS..Hα-helixtrans-60.2-51.4176.1172.9-107.2000111.6F4 N6 W7 R12 A13 V14 L40 V42 L49 Y51 L65F4-F10 HydrophobicContact CB-CB 3.77Å; F4-F10 HydrophobicContact CB-CD2 4.27Å; F4-F10 HydrophobicContact CB-CG 4.44Å; F4-F10 HydrophobicContact CD1-CB 4.28Å; F4-F10 HydrophobicContact CD2-CB 4.5Å; F4-F10 AromaticContact CD2-CD2 3.88Å; F4-F10 HydrophobicContact CD2-CD2 3.88Å; F4-F10 HydrophobicContact CG-CB 3.94Å; F4-F10 HydrophobicContact CG-CD2 4.16Å; N6-F10 WeakPolarHBondContact O-CB 3.41Å; N6-F10 PolarHBondContact O-N 3.46Å; N6-F10 VanDerWaalsContact O-N 3.15Å; W7-F10 HydrophobicContact CZ3-CD1 4.41Å; W7-F10 WeakPolarHBondContact O-CB 3.47Å; W7-F10 PolarHBondContact O-N 3.33Å; F10-R12 VanDerWaalsContact C-N 3.32Å; F10-R12 PolarHBondContact O-N 3.32Å; F10-A13 PolarHBondContact O-N 3.25Å; F10-V14 HydrophobicContact CD1-CG2 4.37Å; F10-V14 HydrophobicContact CD2-CG2 4.15Å; F10-V14 HydrophobicContact CE1-CG2 3.96Å; F10-V14 HydrophobicContact CE2-CG2 3.73Å; F10-V14 HydrophobicContact CG-CG2 4.46Å; F10-V14 HydrophobicContact CZ-CG2 3.63Å; F10-V14 VanDerWaalsContact O-CG2 3.31Å; F10-V14 WeakPolarHBondContact O-CG2 3.23Å; F10-V14 PolarHBondContact O-N 3.08Å; F10-L40 HydrophobicContact CE1-CB 4.11Å; F10-L40 HydrophobicContact CE1-CD1 3.75Å; F10-L40 HydrophobicContact CZ-CB 3.81Å; F10-L40 HydrophobicContact CZ-CD1 4.32Å; F10-V42 HydrophobicContact CZ-CG2 4.27Å; F10-L49 HydrophobicContact CD2-CB 4.39Å; F10-L49 HydrophobicContact CE2-CB 4.03Å; F10-Y51 HydrophobicContact CB-CD2 4.09Å; F10-Y51 HydrophobicContact CB-CG 4.39Å; F10-Y51 HydrophobicContact CD1-CG 4.04Å; F10-Y51 HydrophobicContact CD2-CG 4.47Å; F10-Y51 HydrophobicContact CE1-CG 4.46Å; F10-Y51 HydrophobicContact CG-CD2 4.24Å; F10-Y51 HydrophobicContact CG-CG 4.04Å; F10-L65 HydrophobicContact CE1-CD2 4.32Å
11A97.1Very high92.5Very high14 Ų1467.4 Ų67.412%0.11636%0.364CS..Hα-helixtrans-60.1-43.1-178.800000111.5W7 V14 E15 L65W7-A11 WeakPolarHBondContact O-CB 3.27Å; W7-A11 PolarHBondContact O-N 3.39Å; A11-V14 WeakPolarHBondContact O-CB 3.42Å; A11-V14 PolarHBondContact O-N 3.32Å; A11-E15 PolarHBondContact O-N 2.83Å; A11-L65 HydrophobicContact CB-CD1 4.35Å; A11-L65 HydrophobicContact CB-CD2 4.29Å
12R96.7Very high94Very high158 Ų15865.2 Ų65.260%0.59635%0.348SS*.Hα-helixtrans-63-44.6176.7-164.4-175-54.2155.66.9111.9D8 E9 F10 V14 E15 M16D8-R12 VanDerWaalsContact O-CB 3.3Å; D8-R12 WeakPolarHBondContact O-CB 3.4Å; D8-R12 PolarHBondContact O-N 3.37Å; E9-R12 PolarHBondContact O-N 3.2Å; F10-R12 VanDerWaalsContact C-N 3.32Å; F10-R12 PolarHBondContact O-N 3.32Å; R12-V14 VanDerWaalsContact C-N 3.3Å; R12-V14 PolarHBondContact O-N 2.55Å; R12-E15 PolarHBondContact O-N 2.83Å; R12-M16 WeakPolarHBondContact O-CG 3.42Å; R12-M16 PolarHBondContact O-N 3.41Å
13A96.6Very high94.6Very high23 Ų2367.7 Ų67.719%0.1936%0.355CS..Hα-helixtrans-63.2-37.7176.900000111.9F4 E9 F10 M16 L17 L49F4-A13 HydrophobicContact CE1-CB 4.07Å; F4-A13 HydrophobicContact CZ-CB 3.73Å; E9-A13 WeakPolarHBondContact O-CB 3.35Å; E9-A13 PolarHBondContact O-N 3.39Å; F10-A13 PolarHBondContact O-N 3.25Å; A13-M16 PolarHBondContact O-N 3.18Å; A13-L17 WeakPolarHBondContact O-CB 3.36Å; A13-L17 PolarHBondContact O-N 3.1Å; A13-L49 VanDerWaalsContact C-CD1 3.43Å; A13-L49 HydrophobicContact CB-CD1 3.8Å; A13-L49 HydrophobicContact CB-CD2 4.24Å; A13-L49 WeakPolarHBondContact O-CD1 3.38Å
14V96.8Very high95Very high0 Ų068.9 Ų68.90%036%0.357CS..Hα-helixtrans-62.8-48.1175.31660000111.5F10 A11 R12 M16 L17 Y18 F27 V42 L49 L65 L69F10-V14 HydrophobicContact CD1-CG2 4.37Å; F10-V14 HydrophobicContact CD2-CG2 4.15Å; F10-V14 HydrophobicContact CE1-CG2 3.96Å; F10-V14 HydrophobicContact CE2-CG2 3.73Å; F10-V14 HydrophobicContact CG-CG2 4.46Å; F10-V14 HydrophobicContact CZ-CG2 3.63Å; F10-V14 VanDerWaalsContact O-CG2 3.31Å; F10-V14 WeakPolarHBondContact O-CG2 3.23Å; F10-V14 PolarHBondContact O-N 3.08Å; A11-V14 WeakPolarHBondContact O-CB 3.42Å; A11-V14 PolarHBondContact O-N 3.32Å; R12-V14 VanDerWaalsContact C-N 3.3Å; R12-V14 PolarHBondContact O-N 2.55Å; V14-M16 VanDerWaalsContact C-N 3.34Å; V14-M16 PolarHBondContact O-N 3.03Å; V14-L17 PolarHBondContact O-N 2.96Å; V14-Y18 WeakPolarHBondContact O-CB 3.39Å; V14-Y18 PolarHBondContact O-N 2.97Å; V14-F27 HydrophobicContact CG1-CD2 4.29Å; V14-F27 HydrophobicContact CG1-CE2 4.21Å; V14-V42 HydrophobicContact CB-CG2 4.39Å; V14-V42 HydrophobicContact CG1-CG1 4.29Å; V14-V42 HydrophobicContact CG1-CG2 3.96Å; V14-V42 HydrophobicContact CG2-CB 3.95Å; V14-V42 HydrophobicContact CG2-CG1 4.47Å; V14-V42 HydrophobicContact CG2-CG2 3.53Å; V14-L49 HydrophobicContact CB-CD1 4.48Å; V14-L49 HydrophobicContact CG2-CD1 3.9Å; V14-L65 HydrophobicContact CG1-CD1 4.44Å; V14-L65 HydrophobicContact CG1-CD2 4.4Å; V14-L69 HydrophobicContact CG1-CD1 3.86Å
15E95.8Very high94.9Very high84 Ų8467 Ų6739%0.39335%0.35SS..Hα-helixtrans-61.8-42178.3-71.7-175.9161.600111.6A11 R12 Y18 A19 L65A11-E15 PolarHBondContact O-N 2.83Å; R12-E15 PolarHBondContact O-N 2.83Å; E15-Y18 PolarHBondContact O-N 3.01Å; E15-A19 WeakPolarHBondContact O-CB 3.43Å; E15-A19 PolarHBondContact O-N 3.23Å; E15-L65 HydrophobicContact CG-CD1 4.27Å
16M95.7Very high95.1Very high125 Ų12567.2 Ų67.262%0.61633%0.334SS*.Hα-helixtrans-63.5-44.4175.7-71.3179.769.200112.6R12 A13 V14 Y18 A19 T20R12-M16 WeakPolarHBondContact O-CG 3.42Å; R12-M16 PolarHBondContact O-N 3.41Å; A13-M16 PolarHBondContact O-N 3.18Å; V14-M16 VanDerWaalsContact C-N 3.34Å; V14-M16 PolarHBondContact O-N 3.03Å; M16-Y18 VanDerWaalsContact C-N 3.33Å; M16-A19 PolarHBondContact O-N 3Å; M16-T20 PolarHBondContact O-N 3.26Å; M16-T20 VanDerWaalsContact O-N 3.11Å; M16-T20 PolarHBondContact O-OG1 3.15Å
17L95.8Very high95.2Very high16 Ų1666.5 Ų66.58%0.08433%0.328CS..Hα-helixtrans-64-42.3178.1-177.162.3000110.8A13 V14 T20 S21 V42 D44 V47 L49A13-L17 WeakPolarHBondContact O-CB 3.36Å; A13-L17 PolarHBondContact O-N 3.1Å; V14-L17 PolarHBondContact O-N 2.96Å; L17-T20 PolarHBondContact O-N 3.32Å; L17-S21 PolarHBondContact O-N 3.47Å; L17-V42 HydrophobicContact CD2-CG1 4.18Å; L17-D44 HydrophobicContact CD1-CB 4.34Å; L17-V47 HydrophobicContact CD1-CB 3.93Å; L17-V47 HydrophobicContact CD1-CG1 4.38Å; L17-V47 HydrophobicContact CD1-CG2 4.41Å; L17-V47 HydrophobicContact CD2-CB 4.38Å; L17-V47 HydrophobicContact CD2-CG1 4.38Å; L17-L49 HydrophobicContact CB-CD1 4.09Å; L17-L49 HydrophobicContact CD2-CD1 3.81Å; L17-L49 HydrophobicContact CD2-CG 4.02Å
18Y95.7Very high95.3Very high6 Ų669 Ų692%0.02435%0.345CS..Hα-helixtrans-64.8-41.3177.7-178.8-101.2000112.2V14 E15 M16 T20 R22 C25 L69 Q72 M73V14-Y18 WeakPolarHBondContact O-CB 3.39Å; V14-Y18 PolarHBondContact O-N 2.97Å; E15-Y18 PolarHBondContact O-N 3.01Å; M16-Y18 VanDerWaalsContact C-N 3.33Å; Y18-T20 VanDerWaalsContact C-N 3.27Å; Y18-T20 PolarHBondContact O-N 3Å; Y18-R22 HydrophobicContact CE1-CG 4.16Å; Y18-R22 HydrophobicContact CE2-CG 3.96Å; Y18-R22 VanDerWaalsContact O-CA 3.27Å; Y18-R22 WeakPolarHBondContact O-CA 3.48Å; Y18-R22 PolarHBondContact O-N 2.87Å; Y18-R22 VanDerWaalsContact O-N 3.15Å; Y18-R22 VanDerWaalsContact OH-CG 3.31Å; Y18-R22 WeakPolarHBondContact OH-CG 3.42Å; Y18-C25 HydrophobicContact CD2-CB 3.96Å; Y18-L69 HydrophobicContact CD1-CD2 3.82Å; Y18-L69 HydrophobicContact CD2-CD2 4.38Å; Y18-L69 HydrophobicContact CE1-CD2 4.47Å; Y18-L69 HydrophobicContact CG-CD2 3.78Å; Y18-Q72 VanDerWaalsContact CD1-OE1 3.27Å; Y18-Q72 HydrophobicContact CE1-CB 3.72Å; Y18-M73 HydrophobicContact CD2-CE 4.06Å; Y18-M73 HydrophobicContact CE2-CE 3.49Å; Y18-M73 VanDerWaalsContact CE2-CE 3.49Å; Y18-M73 HydrophobicContact CE2-CG 3.8Å; Y18-M73 WeakPolarHBondContact OH-CA 3.16Å; Y18-M73 WeakPolarHBondContact OH-CG 3.45Å; Y18-M73 PolarHBondContact OH-N 2.82Å
19A93.5Very high95.3Very high70 Ų7068.3 Ų68.358%0.57934%0.344SS*.Hα-helixtrans-62.7-33.3175.700000112.7E15 M16E15-A19 WeakPolarHBondContact O-CB 3.43Å; E15-A19 PolarHBondContact O-N 3.23Å; M16-A19 PolarHBondContact O-N 3Å
20T94Very high95.4Very high116 Ų11670 Ų7071%0.71235%0.349SS*.Hα-helixtrans-81.9-38.6-177.8-51.70000112.7M16 L17 Y18M16-T20 PolarHBondContact O-N 3.26Å; M16-T20 VanDerWaalsContact O-N 3.11Å; M16-T20 PolarHBondContact O-OG1 3.15Å; L17-T20 PolarHBondContact O-N 3.32Å; Y18-T20 VanDerWaalsContact C-N 3.27Å; Y18-T20 PolarHBondContact O-N 3Å
21S91.9Very high95.3Very high16 Ų1676.7 Ų76.711%0.11238%0.375CS..SBendtrans-128.648.4-171-74.20000112.3L17 N23 R24 C25 D44L17-S21 PolarHBondContact O-N 3.47Å; S21-N23 VanDerWaalsContact C-N 3.3Å; S21-N23 PolarHBondContact O-N 3.04Å; S21-N23 VanDerWaalsContact O-N 3.08Å; S21-R24 PolarHBondContact O-N 3.16Å; S21-C25 WeakPolarHBondContact O-CB 3.33Å; S21-C25 PolarHBondContact O-N 3.2Å; S21-D44 WeakPolarHBondContact CB-OD2 3.39Å; S21-D44 PolarHBondContact OG-OD2 3.06Å
22R89.8Confident95.3Very high94 Ų9477.2 Ų77.236%0.35538%0.379SS..THydrogen-bonded Turntrans-47-45.8-170.6-167.9176.3-70154.8-3.7114.9Y18 D77Y18-R22 HydrophobicContact CE1-CG 4.16Å; Y18-R22 HydrophobicContact CE2-CG 3.96Å; Y18-R22 VanDerWaalsContact O-CA 3.27Å; Y18-R22 WeakPolarHBondContact O-CA 3.48Å; Y18-R22 PolarHBondContact O-N 2.87Å; Y18-R22 VanDerWaalsContact O-N 3.15Å; Y18-R22 VanDerWaalsContact OH-CG 3.31Å; Y18-R22 WeakPolarHBondContact OH-CG 3.42Å; R22-D77 IonicContact CZ-OD1 2.77Å; R22-D77 IonicContact NH1-OD1 3.6Å; R22-D77 PolarHBondContact NH1-OD1 3.2Å; R22-D77 IonicContact NH1-OD2 2.71Å; R22-D77 PolarHBondContact NH1-OD2 3.49Å
23N90.7Very high95.3Very high162 Ų16275.8 Ų75.887%0.86638%0.383SS*.THydrogen-bonded Turntrans-82.3-13.3-175.1-64.5-20.3000114.5S21S21-N23 VanDerWaalsContact C-N 3.3Å; S21-N23 PolarHBondContact O-N 3.04Å; S21-N23 VanDerWaalsContact O-N 3.08Å
24R95.1Very high95.3Very high124 Ų12483.3 Ų83.347%0.46841%0.414SS..THydrogen-bonded Turntrans-107.2-20.4-179.3-61.7-165.1-59.8155.46.3112.7S21 R26 D44S21-R24 PolarHBondContact O-N 3.16Å; R24-R26 PolarHBondContact O-N 3.38Å; R24-R26 PolarHBondContact O-NH1 3.24Å; R24-D44 HydrophobicContact CB-CB 4.17Å; R24-D44 IonicContact NH2-OD2 3.9Å
25C95.1Very high95.2Very high15 Ų1588 Ų8810%0.10144%0.438CS..  trans-67.9128.9-176.4-148.50000111.2Y18 S21 V42 T43Y18-C25 HydrophobicContact CD2-CB 3.96Å; S21-C25 WeakPolarHBondContact O-CB 3.33Å; S21-C25 PolarHBondContact O-N 3.2Å; C25-V42 WeakPolarHBondContact SG-CG1 3.31Å; C25-T43 CarbonylContact C-O 3.57Å; C25-T43 WeakPolarHBondContact CA-O 3.45Å
26R96.6Very high95.2Very high117 Ų11785.6 Ų85.644%0.44244%0.437SS..EExtended strand (participates in β ladder)trans-125.4128176.7-63.2-175.3-60.8-80.88.8110.1R24 V42 T43 D45R24-R26 PolarHBondContact O-N 3.38Å; R24-R26 PolarHBondContact O-NH1 3.24Å; R26-V42 WeakPolarHBondContact O-CA 3.3Å; R26-T43 PolarHBondContact N-O 2.99Å; R26-T43 PolarHBondContact O-N 3.45Å; R26-T43 VanDerWaalsContact O-N 3.11Å; R26-D45 IonicContact CZ-OD1 3.7Å; R26-D45 IonicContact CZ-OD2 3.32Å; R26-D45 VanDerWaalsContact CZ-OD2 3.32Å; R26-D45 IonicContact NH1-OD1 2.81Å; R26-D45 IonicContact NH1-OD2 3.84Å; R26-D45 PolarHBondContact NH1-OD2 3.1Å; R26-D45 IonicContact NH2-OD1 2.65Å; R26-D45 PolarHBondContact NH2-OD1 3.11Å; R26-D45 IonicContact NH2-OD2 2.93Å; R26-D45 PolarHBondContact NH2-OD2 3.11Å
27F96.8Very high95.2Very high50 Ų5081.9 Ų81.922%0.21942%0.418CS..EExtended strand (participates in β ladder)trans-101.2124.6175.7-164.7-66.4000109.4V14 T29 L40 V42 L62 L65 T66 L69V14-F27 HydrophobicContact CG1-CD2 4.29Å; V14-F27 HydrophobicContact CG1-CE2 4.21Å; F27-T29 WeakPolarHBondContact CE1-OG1 3.38Å; F27-L40 HydrophobicContact CE1-CD2 4.25Å; F27-L40 HydrophobicContact CZ-CD1 4.43Å; F27-L40 HydrophobicContact CZ-CD2 4.47Å; F27-V42 HydrophobicContact CB-CG2 4.36Å; F27-V42 HydrophobicContact CD2-CG2 3.23Å; F27-V42 HydrophobicContact CE2-CG2 3.51Å; F27-V42 HydrophobicContact CG-CG2 3.85Å; F27-V42 HydrophobicContact CZ-CG2 4.31Å; F27-L62 HydrophobicContact CE1-CD1 3.82Å; F27-L62 HydrophobicContact CZ-CD1 3.63Å; F27-L65 HydrophobicContact CE2-CD2 3.99Å; F27-L65 HydrophobicContact CE2-CG 4.46Å; F27-L65 HydrophobicContact CZ-CD2 4.39Å; F27-T66 HydrophobicContact CE1-CG2 4.16Å; F27-T66 HydrophobicContact CZ-CG2 4.23Å; F27-L69 HydrophobicContact CD2-CD1 3.63Å; F27-L69 HydrophobicContact CE2-CD1 4.01Å
28V97.5Very high95.3Very high71 Ų7181.7 Ų81.743%0.4342%0.417SS..EExtended strand (participates in β ladder)trans-123.2127.4179-178.70000109.7K41V28-K41 HydrophobicContact CB-CB 4.48Å; V28-K41 PolarHBondContact N-O 3.49Å; V28-K41 PolarHBondContact O-N 3.06Å
29T97.2Very high95.3Very high70 Ų7083 Ų8343%0.42942%0.424SS..EExtended strand (participates in β ladder)trans-108.8130.4173.9-55.80000109.2F27 L38 L40 L62F27-T29 WeakPolarHBondContact CE1-OG1 3.38Å; T29-L38 HydrophobicContact CG2-CD1 3.75Å; T29-L40 HydrophobicContact CG2-CD2 3.85Å; T29-L62 HydrophobicContact CG2-CD2 3.87Å
30K97.4Very high95.5Very high139 Ų13979.9 Ų79.960%0.60440%0.398SS*.EExtended strand (participates in β ladder)trans-126124.6170.2179-176.9177.7-175.70108.9N39K30-N39 HydrophobicContact CB-CB 4.21Å; K30-N39 PolarHBondContact N-O 3.4Å; K30-N39 PolarHBondContact O-N 2.99Å
31Y96.4Very high95.7Very high140 Ų14078.4 Ų78.455%0.54938%0.381SS..EExtended strand (participates in β ladder)trans-111.2133.5172.4176.8-114.8000109.7N33Y31-N33 HydrophobicContact CE1-CB 3.86Å; Y31-N33 PolarHBondContact OH-OD1 2.84Å
32S96.6Very high95.9Very high26 Ų2677.8 Ų77.818%0.18238%0.377CS..EExtended strand (participates in β ladder)trans-116.2108.6172-178.20000109E34 L35 G36 E37S32-E34 VanDerWaalsContact C-N 3.35Å; S32-L35 PolarHBondContact O-N 2.83Å; S32-L35 PolarHBondContact OG-N 3.37Å; S32-G36 PolarHBondContact O-N 3.22Å; S32-E37 PolarHBondContact N-O 3.28Å; S32-E37 PolarHBondContact O-N 3.49Å; S32-E37 VanDerWaalsContact O-N 3.1Å
33N95.8Very high96.2Very high127 Ų12774 Ų7468%0.67936%0.364SS*.THydrogen-bonded Turntrans-66.1-39178.5-17255.6000111.7Y31 L35 G36Y31-N33 HydrophobicContact CE1-CB 3.86Å; Y31-N33 PolarHBondContact OH-OD1 2.84Å; N33-L35 VanDerWaalsContact C-N 3.31Å; N33-L35 PolarHBondContact O-N 3.41Å; N33-G36 PolarHBondContact O-N 2.95Å
34E96.9Very high96.5Very high182 Ų18266.7 Ų66.785%0.8533%0.325SS*.THydrogen-bonded Turntrans-59.4-40.7177.9-176.1-175.5173.200112.2S32S32-E34 VanDerWaalsContact C-N 3.35Å
35L95.9Very high96.5Very high97 Ų9765.8 Ų65.851%0.50833%0.33SS..THydrogen-bonded Turntrans-89.9-8.9-179.8-60.6177.6000113.4S32 N33 E37S32-L35 PolarHBondContact O-N 2.83Å; S32-L35 PolarHBondContact OG-N 3.37Å; N33-L35 VanDerWaalsContact C-N 3.31Å; N33-L35 PolarHBondContact O-N 3.41Å; L35-E37 HydrophobicContact CB-CB 4.08Å; L35-E37 PolarHBondContact O-N 3.47Å
36G95.2Very high96.5Very high35 Ų3569 Ų6936%0.36135%0.352SS..THydrogen-bonded Turntrans56.936.6-171.200000112.6S32 N33S32-G36 PolarHBondContact O-N 3.22Å; N33-G36 PolarHBondContact O-N 2.95Å
37E96.2Very high96.4Very high47 Ų4766.6 Ų66.622%0.2235%0.35CS..EExtended strand (participates in β ladder)trans-126.4135.4-168.3-167.1-175.3-144.200112.5S32 L35 N39 S52 K54S32-E37 PolarHBondContact N-O 3.28Å; S32-E37 PolarHBondContact O-N 3.49Å; S32-E37 VanDerWaalsContact O-N 3.1Å; L35-E37 HydrophobicContact CB-CB 4.08Å; L35-E37 PolarHBondContact O-N 3.47Å; E37-N39 PolarHBondContact OE2-ND2 3.01Å; E37-S52 VanDerWaalsContact CG-OG 3.31Å; E37-S52 WeakPolarHBondContact CG-OG 3.49Å; E37-S52 PolarHBondContact OE1-OG 2.97Å; E37-K54 HydrophobicContact CB-CG 4.23Å; E37-K54 HydrophobicContact CG-CG 4.16Å
38L96.2Very high96.3Very high12 Ų1265.5 Ų65.56%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-103.1119.7172.417866.3000109.6T29 L40 S52 S53 L62T29-L38 HydrophobicContact CG2-CD1 3.75Å; L38-L40 HydrophobicContact CD1-CD2 3.88Å; L38-L40 HydrophobicContact CD2-CD2 4.26Å; L38-L40 HydrophobicContact CG-CD2 3.92Å; L38-L40 HydrophobicContact CG-CG 4.25Å; L38-S52 WeakPolarHBondContact O-CA 3.32Å; L38-S52 PolarHBondContact O-OG 3.15Å; L38-S53 PolarHBondContact N-O 2.93Å; L38-S53 PolarHBondContact O-N 2.62Å; L38-L62 HydrophobicContact CD1-CD2 4.05Å; L38-L62 HydrophobicContact CD2-CB 4.44Å; L38-L62 HydrophobicContact CD2-CD2 4.02Å
39N96.7Very high96.3Very high34 Ų3462.9 Ų62.918%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-112.1124.4176.7-80-95.7000110K30 E37 S52K30-N39 HydrophobicContact CB-CB 4.21Å; K30-N39 PolarHBondContact N-O 3.4Å; K30-N39 PolarHBondContact O-N 2.99Å; E37-N39 PolarHBondContact OE2-ND2 3.01Å; N39-S52 PolarHBondContact OD1-OG 2.82Å
40L97.4Very high96.3Very high4 Ų464.2 Ų64.22%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-116.6141.3179.8-52.5-178.1000110.4W7 F10 F27 T29 L38 R50 Y51 L62W7-L40 HydrophobicContact CH2-CD1 3.95Å; W7-L40 HydrophobicContact CZ3-CD1 3.59Å; F10-L40 HydrophobicContact CE1-CB 4.11Å; F10-L40 HydrophobicContact CE1-CD1 3.75Å; F10-L40 HydrophobicContact CZ-CB 3.81Å; F10-L40 HydrophobicContact CZ-CD1 4.32Å; F27-L40 HydrophobicContact CE1-CD2 4.25Å; F27-L40 HydrophobicContact CZ-CD1 4.43Å; F27-L40 HydrophobicContact CZ-CD2 4.47Å; T29-L40 HydrophobicContact CG2-CD2 3.85Å; L38-L40 HydrophobicContact CD1-CD2 3.88Å; L38-L40 HydrophobicContact CD2-CD2 4.26Å; L38-L40 HydrophobicContact CG-CD2 3.92Å; L38-L40 HydrophobicContact CG-CG 4.25Å; L40-R50 WeakPolarHBondContact O-CA 3.46Å; L40-Y51 HydrophobicContact CD1-CD1 3.99Å; L40-Y51 HydrophobicContact CG-CD1 4.43Å; L40-Y51 PolarHBondContact N-O 3.31Å; L40-Y51 PolarHBondContact O-N 3.19Å; L40-L62 HydrophobicContact CD1-CD1 3.82Å; L40-L62 HydrophobicContact CD2-CD1 3.68Å; L40-L62 HydrophobicContact CD2-CD2 3.99Å; L40-L62 HydrophobicContact CD2-CG 4.44Å; L40-L62 HydrophobicContact CG-CD1 4.42Å
41K97.5Very high96.3Very high85 Ų8558.2 Ų58.237%0.3730%0.302SS..EExtended strand (participates in β ladder)trans-140.1133.4174.8-175.1-176.271.6173.60110.5V28 L49 R50V28-K41 HydrophobicContact CB-CB 4.48Å; V28-K41 PolarHBondContact N-O 3.49Å; V28-K41 PolarHBondContact O-N 3.06Å; K41-L49 WeakPolarHBondContact CA-O 3.43Å; K41-R50 HydrophobicContact CG-CG 4.25Å
42V96.6Very high96.3Very high3 Ų353 Ų532%0.01829%0.286CS..EExtended strand (participates in β ladder)trans-128.9131.3170.7-171.80000109.5F10 V14 L17 C25 R26 F27 C48 L49F10-V42 HydrophobicContact CZ-CG2 4.27Å; V14-V42 HydrophobicContact CB-CG2 4.39Å; V14-V42 HydrophobicContact CG1-CG1 4.29Å; V14-V42 HydrophobicContact CG1-CG2 3.96Å; V14-V42 HydrophobicContact CG2-CB 3.95Å; V14-V42 HydrophobicContact CG2-CG1 4.47Å; V14-V42 HydrophobicContact CG2-CG2 3.53Å; L17-V42 HydrophobicContact CD2-CG1 4.18Å; C25-V42 WeakPolarHBondContact SG-CG1 3.31Å; R26-V42 WeakPolarHBondContact O-CA 3.3Å; F27-V42 HydrophobicContact CB-CG2 4.36Å; F27-V42 HydrophobicContact CD2-CG2 3.23Å; F27-V42 HydrophobicContact CE2-CG2 3.51Å; F27-V42 HydrophobicContact CG-CG2 3.85Å; F27-V42 HydrophobicContact CZ-CG2 4.31Å; V42-C48 WeakPolarHBondContact O-CA 3.45Å; V42-L49 PolarHBondContact N-O 3.41Å; V42-L49 PolarHBondContact O-N 3.39Å
43T97.2Very high96.3Very high14 Ų1452.6 Ų52.69%0.08628%0.283CS..EExtended strand (participates in β ladder)trans-152.7149.3-178.2-173.70000112.7C25 R26 D45 V47C25-T43 CarbonylContact C-O 3.57Å; C25-T43 WeakPolarHBondContact CA-O 3.45Å; R26-T43 PolarHBondContact N-O 2.99Å; R26-T43 PolarHBondContact O-N 3.45Å; R26-T43 VanDerWaalsContact O-N 3.11Å; T43-D45 PolarHBondContact OG1-N 3.39Å; T43-V47 WeakPolarHBondContact CA-O 3.48Å; T43-V47 VanDerWaalsContact CB-O 3.26Å; T43-V47 WeakPolarHBondContact CB-O 3.29Å; T43-V47 PolarHBondContact OG1-O 3.45Å
44D96.1Very high96.3Very high8 Ų853.5 Ų53.54%0.04328%0.281CS..  trans-113.422.6170.773.7-21.3000112.6L17 S21 R24 C46 V47L17-D44 HydrophobicContact CD1-CB 4.34Å; S21-D44 WeakPolarHBondContact CB-OD2 3.39Å; S21-D44 PolarHBondContact OG-OD2 3.06Å; R24-D44 HydrophobicContact CB-CB 4.17Å; R24-D44 IonicContact NH2-OD2 3.9Å; D44-C46 PolarHBondContact O-N 3.19Å; D44-C46 PolarHBondContact OD1-N 2.87Å; D44-V47 PolarHBondContact N-O 3.26Å; D44-V47 PolarHBondContact OD1-N 3.16Å
45D95.2Very high96.1Very high106 Ų10647.1 Ų47.157%0.56726%0.257SS*.SBendtrans68.6-4.5-172.8-58.6-54.6000115.8R26 T43R26-D45 IonicContact CZ-OD1 3.7Å; R26-D45 IonicContact CZ-OD2 3.32Å; R26-D45 VanDerWaalsContact CZ-OD2 3.32Å; R26-D45 IonicContact NH1-OD1 2.81Å; R26-D45 IonicContact NH1-OD2 3.84Å; R26-D45 PolarHBondContact NH1-OD2 3.1Å; R26-D45 IonicContact NH2-OD1 2.65Å; R26-D45 PolarHBondContact NH2-OD1 3.11Å; R26-D45 IonicContact NH2-OD2 2.93Å; R26-D45 PolarHBondContact NH2-OD2 3.11Å; T43-D45 PolarHBondContact OG1-N 3.39Å
46C94.3Very high96Very high83 Ų8348.3 Ų48.356%0.56127%0.268SS*.SBendtrans-109.5-47.9172.4-60.80000111.2D44D44-C46 PolarHBondContact O-N 3.19Å; D44-C46 PolarHBondContact OD1-N 2.87Å
47V94.5Very high95.9Very high66 Ų6653.3 Ų53.340%0.428%0.282SS..  trans-109.7140.1176.8-179.10000108.9L17 T43 D44 L49L17-V47 HydrophobicContact CD1-CB 3.93Å; L17-V47 HydrophobicContact CD1-CG1 4.38Å; L17-V47 HydrophobicContact CD1-CG2 4.41Å; L17-V47 HydrophobicContact CD2-CB 4.38Å; L17-V47 HydrophobicContact CD2-CG1 4.38Å; T43-V47 WeakPolarHBondContact CA-O 3.48Å; T43-V47 VanDerWaalsContact CB-O 3.26Å; T43-V47 WeakPolarHBondContact CB-O 3.29Å; T43-V47 PolarHBondContact OG1-O 3.45Å; D44-V47 PolarHBondContact N-O 3.26Å; D44-V47 PolarHBondContact OD1-N 3.16Å; V47-L49 HydrophobicContact CG1-CD2 3.86Å; V47-L49 HydrophobicContact CG1-CG 4.34Å
48C96.1Very high95.9Very high27 Ų2751.4 Ų51.418%0.18227%0.273CS..EExtended strand (participates in β ladder)trans-132.4110.1176.5178.80000110.6M1 V42M1-C48 HydrophobicContact CE-CB 3.92Å; M1-C48 HydrophobicContact SD-CB 3.45Å; M1-C48 WeakPolarHBondContact SD-CB 3.45Å; M1-C48 PolarHBondContact SD-N 2.85Å; V42-C48 WeakPolarHBondContact O-CA 3.45Å
49L96.9Very high95.8Very high16 Ų1654.5 Ų54.58%0.08429%0.292CS..EExtended strand (participates in β ladder)trans-94.1132178-49175.2000108.4F4 F10 A13 V14 L17 K41 V42 V47F4-L49 HydrophobicContact CE2-CB 4.05Å; F4-L49 HydrophobicContact CE2-CD2 3.62Å; F4-L49 HydrophobicContact CE2-CG 4.37Å; F4-L49 HydrophobicContact CZ-CD2 3.93Å; F10-L49 HydrophobicContact CD2-CB 4.39Å; F10-L49 HydrophobicContact CE2-CB 4.03Å; A13-L49 VanDerWaalsContact C-CD1 3.43Å; A13-L49 HydrophobicContact CB-CD1 3.8Å; A13-L49 HydrophobicContact CB-CD2 4.24Å; A13-L49 WeakPolarHBondContact O-CD1 3.38Å; V14-L49 HydrophobicContact CB-CD1 4.48Å; V14-L49 HydrophobicContact CG2-CD1 3.9Å; L17-L49 HydrophobicContact CB-CD1 4.09Å; L17-L49 HydrophobicContact CD2-CD1 3.81Å; L17-L49 HydrophobicContact CD2-CG 4.02Å; K41-L49 WeakPolarHBondContact CA-O 3.43Å; V42-L49 PolarHBondContact N-O 3.41Å; V42-L49 PolarHBondContact O-N 3.39Å; V47-L49 HydrophobicContact CG1-CD2 3.86Å; V47-L49 HydrophobicContact CG1-CG 4.34Å
50R97.7Very high95.7Very high97 Ų9760.2 Ų60.237%0.36632%0.316SS..EExtended strand (participates in β ladder)trans-131.2140179.9-61.6179.672.3175.71.8110.4F3 F4 L40 K41F3-R50 CarbonylContact C-O 3.58Å; F3-R50 WeakPolarHBondContact CA-O 3.25Å; F3-R50 HydrophobicContact CD1-CB 3.73Å; F3-R50 HydrophobicContact CE1-CB 3.86Å; F3-R50 HydrophobicContact CG-CB 4.21Å; F3-R50 HydrophobicContact CZ-CB 4.45Å; F4-R50 PolarHBondContact N-O 2.83Å; L40-R50 WeakPolarHBondContact O-CA 3.46Å; K41-R50 HydrophobicContact CG-CG 4.25Å
51Y97.7Very high95.7Very high13 Ų1364.8 Ų64.85%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-139137.9174.9178.7-97.3000109F4 W7 F10 L40 D58F4-Y51 HydrophobicContact CB-CD2 4.22Å; F4-Y51 VanDerWaalsContact O-CD2 3.32Å; F4-Y51 WeakPolarHBondContact O-CD2 3.47Å; W7-Y51 HydrophobicContact CB-CE2 4.45Å; W7-Y51 AromaticContact CE3-CD1 3.98Å; W7-Y51 HydrophobicContact CE3-CD1 3.98Å; W7-Y51 AromaticContact CE3-CE1 3.49Å; W7-Y51 HydrophobicContact CE3-CE1 3.49Å; W7-Y51 VanDerWaalsContact CE3-CE1 3.49Å; W7-Y51 AromaticContact CE3-CZ 3.84Å; W7-Y51 HydrophobicContact CZ3-CD1 4.05Å; W7-Y51 AromaticContact CZ3-CE1 3.89Å; W7-Y51 HydrophobicContact CZ3-CE1 3.89Å; F10-Y51 HydrophobicContact CB-CD2 4.09Å; F10-Y51 HydrophobicContact CB-CG 4.39Å; F10-Y51 HydrophobicContact CD1-CG 4.04Å; F10-Y51 HydrophobicContact CD2-CG 4.47Å; F10-Y51 HydrophobicContact CE1-CG 4.46Å; F10-Y51 HydrophobicContact CG-CD2 4.24Å; F10-Y51 HydrophobicContact CG-CG 4.04Å; L40-Y51 HydrophobicContact CD1-CD1 3.99Å; L40-Y51 HydrophobicContact CG-CD1 4.43Å; L40-Y51 PolarHBondContact N-O 3.31Å; L40-Y51 PolarHBondContact O-N 3.19Å; Y51-D58 PolarHBondContact OH-OD2 2.9Å
52S96.2Very high95.7Very high32 Ų3261.7 Ų61.722%0.22432%0.32CS..EExtended strand (participates in β ladder)trans-131138.1174-161.40000109.7E37 L38 N39E37-S52 VanDerWaalsContact CG-OG 3.31Å; E37-S52 WeakPolarHBondContact CG-OG 3.49Å; E37-S52 PolarHBondContact OE1-OG 2.97Å; L38-S52 WeakPolarHBondContact O-CA 3.32Å; L38-S52 PolarHBondContact O-OG 3.15Å; N39-S52 PolarHBondContact OD1-OG 2.82Å
53S95.5Very high95.7Very high17 Ų1767 Ų6712%0.11934%0.344CS..EExtended strand (participates in β ladder)trans-148.1146.6178.1-177.60000111.8L38 S55 D58L38-S53 PolarHBondContact N-O 2.93Å; L38-S53 PolarHBondContact O-N 2.62Å; S53-S55 WeakPolarHBondContact OG-CB 3.42Å; S53-S55 PolarHBondContact OG-N 2.79Å; S53-D58 VanDerWaalsContact CB-OD2 3.27Å; S53-D58 WeakPolarHBondContact CB-OD2 3.35Å; S53-D58 PolarHBondContact OG-OD2 3.33Å
54K95.4Very high95.6Very high146 Ų14673.7 Ų73.764%0.63537%0.372SS*.  trans-102.7-0.6167.7-62.6-172.4174.6-172.40112.3E37E37-K54 HydrophobicContact CB-CG 4.23Å; E37-K54 HydrophobicContact CG-CG 4.16Å
55S94.3Very high95.7Very high48 Ų4873.8 Ų73.834%0.33637%0.373SS..  trans-79123.4-179.6-179.30000110.7S53 Q57 D58S53-S55 WeakPolarHBondContact OG-CB 3.42Å; S53-S55 PolarHBondContact OG-N 2.79Å; S55-Q57 PolarHBondContact O-N 3.46Å; S55-Q57 PolarHBondContact OG-N 3.48Å; S55-D58 WeakPolarHBondContact CB-OD2 3.4Å; S55-D58 PolarHBondContact O-N 2.9Å; S55-D58 VanDerWaalsContact O-N 3.1Å
56V92.5Very high95.8Very high122 Ų12270.2 Ų70.274%0.73936%0.355SS*.Hα-helixtrans-60.5-27.4175.1178.40000111.7D58 V59V56-D58 PolarHBondContact O-N 3.4Å; V56-V59 WeakPolarHBondContact O-CB 3.35Å; V56-V59 PolarHBondContact O-N 3.44Å
57Q94.1Very high95.9Very high140 Ų14069.1 Ų69.165%0.65434%0.343SS*.Hα-helixtrans-63.8-30.9178.1-62.2179.7-25.600112.2S55 V59 K60 R61S55-Q57 PolarHBondContact O-N 3.46Å; S55-Q57 PolarHBondContact OG-N 3.48Å; Q57-V59 PolarHBondContact O-N 3.03Å; Q57-K60 PolarHBondContact O-N 3.02Å; Q57-R61 PolarHBondContact O-N 3.01Å
58D95.3Very high95.9Very high7 Ų767.2 Ų67.24%0.03733%0.333CS..Hα-helixtrans-73.9-17.4-179.6-63.5-36.5000112.4W7 Y51 S53 S55 V56 R61 L62W7-D58 HydrophobicContact CE3-CB 4.28Å; Y51-D58 PolarHBondContact OH-OD2 2.9Å; S53-D58 VanDerWaalsContact CB-OD2 3.27Å; S53-D58 WeakPolarHBondContact CB-OD2 3.35Å; S53-D58 PolarHBondContact OG-OD2 3.33Å; S55-D58 WeakPolarHBondContact CB-OD2 3.4Å; S55-D58 PolarHBondContact O-N 2.9Å; S55-D58 VanDerWaalsContact O-N 3.1Å; V56-D58 PolarHBondContact O-N 3.4Å; D58-R61 PolarHBondContact O-N 2.85Å; D58-R61 WeakPolarHBondContact OD1-CD 3.37Å; D58-R61 IonicContact OD1-CZ 3.92Å; D58-R61 IonicContact OD1-NE 4Å; D58-R61 IonicContact OD1-NH1 3.08Å; D58-R61 PolarHBondContact OD1-NH1 3.31Å; D58-R61 VanDerWaalsContact OD1-NH1 3.08Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 PolarHBondContact O-N 3.36Å
59V94.7Very high95.9Very high77 Ų7766.2 Ų66.247%0.46733%0.326SS..Hα-helixtrans-63.4-43.9171.6-1780000110.8V56 Q57 R61 L62 E63V56-V59 WeakPolarHBondContact O-CB 3.35Å; V56-V59 PolarHBondContact O-N 3.44Å; Q57-V59 PolarHBondContact O-N 3.03Å; V59-R61 VanDerWaalsContact C-N 3.3Å; V59-R61 PolarHBondContact O-N 2.91Å; V59-L62 WeakPolarHBondContact O-CB 3.31Å; V59-L62 PolarHBondContact O-N 2.92Å; V59-E63 PolarHBondContact O-N 3.23Å; V59-E63 VanDerWaalsContact O-N 3.12Å
60K94.3Very high95.8Very high154 Ų15470 Ų7067%0.6735%0.345SS*.Hα-helixtrans-67.3-32.8175.2-73.4-173.4176.4-178.30112.2Q57 K64Q57-K60 PolarHBondContact O-N 3.02Å; K60-K64 PolarHBondContact O-N 2.8Å
61R97.1Very high95.6Very high99 Ų9972.8 Ų72.837%0.37436%0.355SS..Hα-helixtrans-71.4-39.1177.1-65.3174.9164179-12.3111.4W7 Q57 D58 V59 E63 K64 L65W7-R61 HydrophobicContact CD2-CB 3.94Å; W7-R61 VanDerWaalsContact CE2-CB 3.4Å; W7-R61 HydrophobicContact CE3-CB 4.46Å; W7-R61 HydrophobicContact CG-CB 4.5Å; W7-R61 HydrophobicContact CH2-CB 4.14Å; W7-R61 HydrophobicContact CZ2-CB 3.53Å; W7-R61 WeakPolarHBondContact CZ2-O 3.38Å; Q57-R61 PolarHBondContact O-N 3.01Å; D58-R61 PolarHBondContact O-N 2.85Å; D58-R61 WeakPolarHBondContact OD1-CD 3.37Å; D58-R61 IonicContact OD1-CZ 3.92Å; D58-R61 IonicContact OD1-NE 4Å; D58-R61 IonicContact OD1-NH1 3.08Å; D58-R61 PolarHBondContact OD1-NH1 3.31Å; D58-R61 VanDerWaalsContact OD1-NH1 3.08Å; V59-R61 VanDerWaalsContact C-N 3.3Å; V59-R61 PolarHBondContact O-N 2.91Å; R61-E63 PolarHBondContact O-N 2.91Å; R61-K64 PolarHBondContact O-N 3.29Å; R61-L65 PolarHBondContact O-N 2.71Å
62L97.1Very high95.4Very high20 Ų2075.7 Ų75.711%0.10537%0.369CS..Hα-helixtrans-56.1-48.8171.2172.968.7000111.4W7 F27 T29 L38 L40 D58 V59 K64 L65 T66W7-L62 HydrophobicContact CH2-CB 4.05Å; F27-L62 HydrophobicContact CE1-CD1 3.82Å; F27-L62 HydrophobicContact CZ-CD1 3.63Å; T29-L62 HydrophobicContact CG2-CD2 3.87Å; L38-L62 HydrophobicContact CD1-CD2 4.05Å; L38-L62 HydrophobicContact CD2-CB 4.44Å; L38-L62 HydrophobicContact CD2-CD2 4.02Å; L40-L62 HydrophobicContact CD1-CD1 3.82Å; L40-L62 HydrophobicContact CD2-CD1 3.68Å; L40-L62 HydrophobicContact CD2-CD2 3.99Å; L40-L62 HydrophobicContact CD2-CG 4.44Å; L40-L62 HydrophobicContact CG-CD1 4.42Å; D58-L62 WeakPolarHBondContact O-CB 3.37Å; D58-L62 PolarHBondContact O-N 3.36Å; V59-L62 WeakPolarHBondContact O-CB 3.31Å; V59-L62 PolarHBondContact O-N 2.92Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 3.43Å; L62-L65 PolarHBondContact O-N 2.81Å; L62-L65 VanDerWaalsContact O-N 3.16Å; L62-T66 HydrophobicContact CD1-CG2 3.65Å; L62-T66 HydrophobicContact CG-CG2 4.17Å; L62-T66 WeakPolarHBondContact O-CG2 3.21Å; L62-T66 PolarHBondContact O-N 3.15Å; L62-T66 PolarHBondContact O-OG1 3.38Å; L62-T66 VanDerWaalsContact O-OG1 3.06Å
63E96.7Very high95.3Very high114 Ų11478.6 Ų78.653%0.53338%0.38SS..Hα-helixtrans-54.3-44.6178.1-171.7-159160.100112V59 R61 T66 N67V59-E63 PolarHBondContact O-N 3.23Å; V59-E63 VanDerWaalsContact O-N 3.12Å; R61-E63 PolarHBondContact O-N 2.91Å; E63-T66 PolarHBondContact O-OG1 3.38Å; E63-N67 VanDerWaalsContact O-CB 3.23Å; E63-N67 WeakPolarHBondContact O-CB 3.31Å; E63-N67 VanDerWaalsContact O-CG 3.23Å; E63-N67 PolarHBondContact O-N 3.11Å; E63-N67 PolarHBondContact O-ND2 2.8Å
64K97Very high95.1Very high155 Ų15583.2 Ų83.267%0.67441%0.408SS*.Hα-helixtrans-64.2-45.2177.7-69-179.1-178.8-175.30112.1K60 R61 L62 S68K60-K64 PolarHBondContact O-N 2.8Å; R61-K64 PolarHBondContact O-N 3.29Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 3.43Å; K64-S68 PolarHBondContact O-N 2.83Å
65L97.2Very high94.8Very high10 Ų1079.2 Ų79.25%0.05240%0.402CS..Hα-helixtrans-63.8-48.7179.9178.461.6000111.3W7 F10 A11 V14 E15 F27 R61 L62 N67 S68 L69W7-L65 HydrophobicContact CH2-CD2 4.12Å; W7-L65 HydrophobicContact CZ2-CB 4.1Å; W7-L65 HydrophobicContact CZ2-CD2 3.98Å; F10-L65 HydrophobicContact CE1-CD2 4.32Å; A11-L65 HydrophobicContact CB-CD1 4.35Å; A11-L65 HydrophobicContact CB-CD2 4.29Å; V14-L65 HydrophobicContact CG1-CD1 4.44Å; V14-L65 HydrophobicContact CG1-CD2 4.4Å; E15-L65 HydrophobicContact CG-CD1 4.27Å; F27-L65 HydrophobicContact CE2-CD2 3.99Å; F27-L65 HydrophobicContact CE2-CG 4.46Å; F27-L65 HydrophobicContact CZ-CD2 4.39Å; R61-L65 PolarHBondContact O-N 2.71Å; L62-L65 PolarHBondContact O-N 2.81Å; L62-L65 VanDerWaalsContact O-N 3.16Å; L65-N67 PolarHBondContact O-N 2.93Å; L65-S68 WeakPolarHBondContact O-CB 3.33Å; L65-S68 PolarHBondContact O-N 3.11Å; L65-L69 HydrophobicContact CD1-CD1 4.34Å; L65-L69 HydrophobicContact CD1-CG 4.44Å; L65-L69 HydrophobicContact CG-CD1 4.25Å; L65-L69 WeakPolarHBondContact O-CG 2.96Å; L65-L69 PolarHBondContact O-N 3.33Å
66T96.6Very high93.8Very high32 Ų3288 Ų8820%0.19643%0.428CS..Hα-helixtrans-65.1-40.3179.955.30000111.5F27 L62 E63 S68 L69 M70F27-T66 HydrophobicContact CE1-CG2 4.16Å; F27-T66 HydrophobicContact CZ-CG2 4.23Å; L62-T66 HydrophobicContact CD1-CG2 3.65Å; L62-T66 HydrophobicContact CG-CG2 4.17Å; L62-T66 WeakPolarHBondContact O-CG2 3.21Å; L62-T66 PolarHBondContact O-N 3.15Å; L62-T66 PolarHBondContact O-OG1 3.38Å; L62-T66 VanDerWaalsContact O-OG1 3.06Å; E63-T66 PolarHBondContact O-OG1 3.38Å; T66-S68 VanDerWaalsContact C-N 3.31Å; T66-S68 PolarHBondContact O-N 3.29Å; T66-L69 PolarHBondContact O-N 3.39Å; T66-M70 WeakPolarHBondContact O-CB 3.48Å; T66-M70 WeakPolarHBondContact O-CE 3.39Å; T66-M70 VanDerWaalsContact O-CG 3.29Å; T66-M70 WeakPolarHBondContact O-CG 3.33Å; T66-M70 PolarHBondContact O-N 2.82Å
67N96.6Very high92.5Very high59 Ų5987.7 Ų87.732%0.31642%0.422SS..Hα-helixtrans-60.8-38.6173.5-80-25.1000112.6E63 L65 M70 R71E63-N67 VanDerWaalsContact O-CB 3.23Å; E63-N67 WeakPolarHBondContact O-CB 3.31Å; E63-N67 VanDerWaalsContact O-CG 3.23Å; E63-N67 PolarHBondContact O-N 3.11Å; E63-N67 PolarHBondContact O-ND2 2.8Å; L65-N67 PolarHBondContact O-N 2.93Å; N67-M70 WeakPolarHBondContact OD1-CE 3.27Å; N67-R71 WeakPolarHBondContact O-CG 3.32Å; N67-R71 PolarHBondContact O-N 3.08Å
68S95.3Very high90.5Very high27 Ų2787.8 Ų87.819%0.18943%0.432CS..Hα-helixtrans-62.2-51.7174.4-167.40000111.3K64 L65 T66 M70 R71 Q72K64-S68 PolarHBondContact O-N 2.83Å; L65-S68 WeakPolarHBondContact O-CB 3.33Å; L65-S68 PolarHBondContact O-N 3.11Å; T66-S68 VanDerWaalsContact C-N 3.31Å; T66-S68 PolarHBondContact O-N 3.29Å; S68-M70 PolarHBondContact O-N 2.92Å; S68-R71 PolarHBondContact O-N 3.47Å; S68-Q72 WeakPolarHBondContact O-CG 3.26Å; S68-Q72 PolarHBondContact O-N 3.35Å; S68-Q72 VanDerWaalsContact O-N 3.11Å
69L95.4Very high87.7Confident6 Ų6100.2 Ų100.23%0.03149%0.485CS..Hα-helixtrans-61.8-43.1179.7-67.2173.2000112.1V14 Y18 F27 L65 T66 R71 Q72 M73V14-L69 HydrophobicContact CG1-CD1 3.86Å; Y18-L69 HydrophobicContact CD1-CD2 3.82Å; Y18-L69 HydrophobicContact CD2-CD2 4.38Å; Y18-L69 HydrophobicContact CE1-CD2 4.47Å; Y18-L69 HydrophobicContact CG-CD2 3.78Å; F27-L69 HydrophobicContact CD2-CD1 3.63Å; F27-L69 HydrophobicContact CE2-CD1 4.01Å; L65-L69 HydrophobicContact CD1-CD1 4.34Å; L65-L69 HydrophobicContact CD1-CG 4.44Å; L65-L69 HydrophobicContact CG-CD1 4.25Å; L65-L69 WeakPolarHBondContact O-CG 2.96Å; L65-L69 PolarHBondContact O-N 3.33Å; T66-L69 PolarHBondContact O-N 3.39Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 2.83Å; L69-Q72 PolarHBondContact O-N 3.05Å; L69-Q72 VanDerWaalsContact O-N 3.11Å; L69-M73 HydrophobicContact CB-CE 4.27Å; L69-M73 VanDerWaalsContact O-CG 3.25Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3Å
70M95.2Very high87.3Confident96 Ų96101.4 Ų101.447%0.47349%0.486SS..Hα-helixtrans-61.6-38.8178-75.6-172.5-76.500112.5T66 N67 S68 M73 T74T66-M70 WeakPolarHBondContact O-CB 3.48Å; T66-M70 WeakPolarHBondContact O-CE 3.39Å; T66-M70 VanDerWaalsContact O-CG 3.29Å; T66-M70 WeakPolarHBondContact O-CG 3.33Å; T66-M70 PolarHBondContact O-N 2.82Å; N67-M70 WeakPolarHBondContact OD1-CE 3.27Å; S68-M70 PolarHBondContact O-N 2.92Å; M70-M73 PolarHBondContact O-N 3Å; M70-T74 WeakPolarHBondContact O-CG2 3.49Å; M70-T74 PolarHBondContact O-N 2.95Å; M70-T74 VanDerWaalsContact O-N 3.16Å; M70-T74 PolarHBondContact O-OG1 2.99Å
71R94.5Very high87Confident155 Ų15598.6 Ų98.659%0.58548%0.477SS*.Hα-helixtrans-63.3-42.4173-75.4-173.1-64.7-93.70.9111.7N67 S68 L69 T74 A75N67-R71 WeakPolarHBondContact O-CG 3.32Å; N67-R71 PolarHBondContact O-N 3.08Å; S68-R71 PolarHBondContact O-N 3.47Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 2.83Å; R71-T74 PolarHBondContact O-N 3.21Å; R71-T74 PolarHBondContact O-OG1 2.72Å; R71-A75 WeakPolarHBondContact O-CB 3.4Å; R71-A75 PolarHBondContact O-N 3.21Å
72Q92.9Very high86.4Confident73 Ų7398.6 Ų98.634%0.34148%0.483SS..Hα-helixtrans-67.5-35.9177.5-64.3175.11.600112.4Y18 S68 L69 T74Y18-Q72 VanDerWaalsContact CD1-OE1 3.27Å; Y18-Q72 HydrophobicContact CE1-CB 3.72Å; S68-Q72 WeakPolarHBondContact O-CG 3.26Å; S68-Q72 PolarHBondContact O-N 3.35Å; S68-Q72 VanDerWaalsContact O-N 3.11Å; L69-Q72 PolarHBondContact O-N 3.05Å; L69-Q72 VanDerWaalsContact O-N 3.11Å; Q72-T74 VanDerWaalsContact C-N 3.29Å; Q72-T74 PolarHBondContact O-N 3.3Å
73M93Very high85.8Confident93 Ų93103.2 Ų103.246%0.45851%0.505SS..Hα-helixtrans-66.1-30.3177-72.9171.2-17600113.3Y18 L69 M70Y18-M73 HydrophobicContact CD2-CE 4.06Å; Y18-M73 HydrophobicContact CE2-CE 3.49Å; Y18-M73 VanDerWaalsContact CE2-CE 3.49Å; Y18-M73 HydrophobicContact CE2-CG 3.8Å; Y18-M73 WeakPolarHBondContact OH-CA 3.16Å; Y18-M73 WeakPolarHBondContact OH-CG 3.45Å; Y18-M73 PolarHBondContact OH-N 2.82Å; L69-M73 HydrophobicContact CB-CE 4.27Å; L69-M73 VanDerWaalsContact O-CG 3.25Å; L69-M73 WeakPolarHBondContact O-CG 3.35Å; L69-M73 PolarHBondContact O-N 3Å; M70-M73 PolarHBondContact O-N 3Å
74T92.4Very high85.1Confident114 Ų114102.5 Ų102.570%0.69950%0.503SS*.Hα-helixtrans-97.1-17.5-177.351.90000113.1M70 R71 Q72 R76M70-T74 WeakPolarHBondContact O-CG2 3.49Å; M70-T74 PolarHBondContact O-N 2.95Å; M70-T74 VanDerWaalsContact O-N 3.16Å; M70-T74 PolarHBondContact O-OG1 2.99Å; R71-T74 PolarHBondContact O-N 3.21Å; R71-T74 PolarHBondContact O-OG1 2.72Å; Q72-T74 VanDerWaalsContact C-N 3.29Å; Q72-T74 PolarHBondContact O-N 3.3Å; T74-R76 PolarHBondContact O-N 2.68Å
75A89.2Confident84.3Confident62 Ų6299 Ų9951%0.51249%0.492SS..SBendtrans-60.8125.1171.900000109.5R71 D77R71-A75 WeakPolarHBondContact O-CB 3.4Å; R71-A75 PolarHBondContact O-N 3.21Å; A75-D77 PolarHBondContact O-N 2.77Å
76R73Confident83.4Confident233 Ų233105.4 Ų105.488%0.87952%0.523SS*.  trans-66.4127.9169.6-71.7179.6173.2-176-2.7107.5T74 V78T74-R76 PolarHBondContact O-N 2.68Å; R76-V78 PolarHBondContact O-N 2.93Å
77D65.6Low82.4Confident116 Ų116111 Ų11162%0.6255%0.548SS*.  trans-55.6109.3164.3-85.5-51.6000106.9R22 A75 K79R22-D77 IonicContact CZ-OD1 2.77Å; R22-D77 IonicContact NH1-OD1 3.6Å; R22-D77 PolarHBondContact NH1-OD1 3.2Å; R22-D77 IonicContact NH1-OD2 2.71Å; R22-D77 PolarHBondContact NH1-OD2 3.49Å; A75-D77 PolarHBondContact O-N 2.77Å; D77-K79 VanDerWaalsContact C-N 3.32Å; D77-K79 PolarHBondContact O-N 2.65Å
78V52.4Low81.2Confident142 Ų142115.3 Ų115.386%0.86157%0.568SS**  trans-65.8105.4164.9-177.90000104R76R76-V78 PolarHBondContact O-N 2.93Å
79K35.6Very low79.9Confident267 Ų267123.4 Ų123.4100%1.16160%0.602SS**  trans-47.30179.4-83.7-177.5171.5-1780112.5D77D77-K79 VanDerWaalsContact C-N 3.32Å; D77-K79 PolarHBondContact O-N 2.65Å

Retrieved 79 of 79 residues in 57.3 ms (Link to these results)

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