A0A087X650_POEFO Loading...

DnaJ (Hsp40) homolog, subfamily C, member 24

AlphaFold DB , UniProt , Accession A0A087X650, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 156 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
1M35.8Very low60.7Low219 Ų219108.5 Ų108.5100%1.07958%0.584SS**  0126.20-80.9163.4159.100105.9D3 Q83M1-D3 PolarHBondContact O-N 3.37Å; M1-Q83 PolarHBondContact O-NE2 2.83Å
2C40.9Very low63.1Low114 Ų114102.4 Ų102.477%0.7755%0.553SS**  trans-70.3110.4-169.6-155.30000110.4P4C2-P4 WeakPolarHBondContact O-CD 3.42Å
3D32Very low65.1Low119 Ų11994.6 Ų94.664%0.63651%0.511SS*.  trans-52118.5171.3-75.9-83.2000111.1M1 E5 Q83M1-D3 PolarHBondContact O-N 3.37Å; D3-E5 VanDerWaalsContact C-N 3.32Å; D3-E5 PolarHBondContact O-N 3.4Å; D3-Q83 PolarHBondContact OD2-NE2 3.15Å
4P41.3Very low66.6Low119 Ų11991.7 Ų91.777%0.77351%0.514SS*.THydrogen-bonded Turntrans-82.49.8-171.431-35.2000115.7C2C2-P4 WeakPolarHBondContact O-CD 3.42Å
5E44.7Very low67.9Low188 Ų18886.5 Ų86.588%0.87949%0.49SS*.THydrogen-bonded Turntrans-96-6.4-169.5-83.8-171.772.200116.5D3D3-E5 VanDerWaalsContact C-N 3.32Å; D3-E5 PolarHBondContact O-N 3.4Å
6Q56.5Low69.1Low140 Ų14085.1 Ų85.165%0.65449%0.487SS*.SBendtrans-111.295.8167.2-67.9-165.8-8.400109.6D8Q6-D8 PolarHBondContact O-N 2.95Å
7K65.7Low70Confident137 Ų13784.1 Ų84.160%0.59648%0.484SS*.  trans-50.9118.9172.4-75-177.6-177.4-1790109.5L9 V12 E55K7-L9 PolarHBondContact O-N 3.34Å; K7-V12 HydrophobicContact CB-CG2 4.28Å; K7-E55 IonicContact NZ-OE1 2.68Å; K7-E55 PolarHBondContact NZ-OE1 2.64Å
8D84.5Confident70.9Confident56 Ų5685.8 Ų85.830%0.29950%0.502SS..  trans-57.1125.1175.9-91-38.9000110.8Q6 Y10 A11 V12 Y72 R76Q6-D8 PolarHBondContact O-N 2.95Å; D8-Y10 PolarHBondContact O-N 2.68Å; D8-A11 HydrophobicContact CB-CB 3.86Å; D8-A11 WeakPolarHBondContact O-CA 3.43Å; D8-A11 WeakPolarHBondContact O-CB 3.32Å; D8-A11 PolarHBondContact O-N 3Å; D8-V12 PolarHBondContact O-N 3.1Å; D8-Y72 PolarHBondContact OD1-OH 3.09Å; D8-R76 VanDerWaalsContact CG-CZ 3.46Å; D8-R76 IonicContact OD1-CZ 2.85Å; D8-R76 IonicContact OD1-NE 3.88Å; D8-R76 PolarHBondContact OD1-NE 3.28Å; D8-R76 VanDerWaalsContact OD1-NE 3.07Å; D8-R76 IonicContact OD1-NH1 3.48Å; D8-R76 PolarHBondContact OD1-NH1 2.97Å; D8-R76 IonicContact OD1-NH2 3.44Å; D8-R76 PolarHBondContact OD1-NH2 3.39Å; D8-R76 IonicContact OD2-CZ 3.07Å; D8-R76 IonicContact OD2-NH1 3.01Å; D8-R76 IonicContact OD2-NH2 3.61Å; D8-R76 PolarHBondContact OD2-NH2 3.29Å
9L88.7Confident71.7Confident27 Ų2782.2 Ų82.214%0.14148%0.48CS..Hα-helixtrans-61.6-32.2-178.5-59.5-179.6000111.5K7 V12 L13 A59 I62 L63 Y72K7-L9 PolarHBondContact O-N 3.34Å; L9-V12 PolarHBondContact O-N 3.43Å; L9-L13 PolarHBondContact O-N 3.43Å; L9-A59 HydrophobicContact CB-CB 4.12Å; L9-A59 HydrophobicContact CD2-CB 4.17Å; L9-I62 HydrophobicContact CD1-CB 3.71Å; L9-I62 HydrophobicContact CD1-CD1 3.49Å; L9-I62 VanDerWaalsContact CD1-CD1 3.49Å; L9-I62 HydrophobicContact CD1-CG1 4.18Å; L9-I62 HydrophobicContact CD1-CG2 3.58Å; L9-I62 HydrophobicContact CD2-CD1 4.48Å; L9-L63 HydrophobicContact CB-CD1 3.65Å; L9-L63 HydrophobicContact CB-CD2 4.49Å; L9-L63 HydrophobicContact CB-CG 4.06Å; L9-Y72 HydrophobicContact CB-CE1 3.97Å; L9-Y72 HydrophobicContact CD1-CD1 4.16Å; L9-Y72 HydrophobicContact CD1-CD2 3.65Å; L9-Y72 HydrophobicContact CD1-CE1 3.95Å; L9-Y72 HydrophobicContact CD1-CE2 3.45Å; L9-Y72 VanDerWaalsContact CD1-CE2 3.45Å; L9-Y72 HydrophobicContact CD1-CG 4Å; L9-Y72 HydrophobicContact CG-CD2 4.41Å; L9-Y72 HydrophobicContact CG-CE1 4.07Å; L9-Y72 HydrophobicContact CG-CE2 3.71Å; L9-Y72 PolarHBondContact N-OH 3.21Å
10Y89.4Confident72.6Confident4 Ų481.7 Ų81.72%0.01648%0.481CS..Hα-helixtrans-64.7-41.3172.7-66.7-74.6000111.7D8 V12 L13 G14 G15 S16 P17 L24 L63 R69 Y72 D73D8-Y10 PolarHBondContact O-N 2.68Å; Y10-V12 VanDerWaalsContact C-N 3.33Å; Y10-V12 PolarHBondContact O-N 3.49Å; Y10-L13 CarbonylContact O-C 3.54Å; Y10-L13 PolarHBondContact O-N 2.79Å; Y10-G14 PolarHBondContact O-N 2.79Å; Y10-G14 VanDerWaalsContact O-N 3.09Å; Y10-G15 CarbonylContact C-O 3.39Å; Y10-G15 PolarHBondContact O-N 3.36Å; Y10-S16 WeakPolarHBondContact CD1-O 3.38Å; Y10-P17 HydrophobicContact CD2-CB 4.19Å; Y10-P17 HydrophobicContact CE1-CB 4.38Å; Y10-P17 HydrophobicContact CE2-CB 3.88Å; Y10-L24 HydrophobicContact CD1-CD1 4.46Å; Y10-L24 HydrophobicContact CD1-CD2 4.31Å; Y10-L24 HydrophobicContact CE1-CD1 4.06Å; Y10-L63 HydrophobicContact CD1-CD1 3.78Å; Y10-L63 HydrophobicContact CD1-CD2 4.33Å; Y10-L63 HydrophobicContact CD2-CD2 4.49Å; Y10-L63 HydrophobicContact CE1-CD1 3.97Å; Y10-L63 HydrophobicContact CE1-CD2 3.73Å; Y10-L63 HydrophobicContact CE1-CG 4.44Å; Y10-L63 HydrophobicContact CE2-CD2 3.94Å; Y10-L63 HydrophobicContact CG-CD1 4.1Å; Y10-R69 WeakPolarHBondContact OH-CG 3.41Å; Y10-R69 PolarHBondContact OH-NE 3.47Å; Y10-Y72 AromaticContact CD2-CE1 3.91Å; Y10-Y72 HydrophobicContact CD2-CE1 3.91Å; Y10-Y72 AromaticContact CE2-CD1 3.97Å; Y10-Y72 HydrophobicContact CE2-CD1 3.97Å; Y10-Y72 AromaticContact CE2-CE1 3.69Å; Y10-Y72 HydrophobicContact CE2-CE1 3.69Å; Y10-D73 VanDerWaalsContact CE2-OD1 3.29Å; Y10-D73 WeakPolarHBondContact CE2-OD1 3.49Å; Y10-D73 VanDerWaalsContact OH-CG 3.29Å; Y10-D73 PolarHBondContact OH-OD1 3.06Å; Y10-D73 PolarHBondContact OH-OD2 3.29Å
11A88.7Confident73.4Confident70 Ų7080.2 Ų80.258%0.57947%0.471SS*.Hα-helixtrans-65.8-37.2177.100000111.5D8 L13 G14D8-A11 HydrophobicContact CB-CB 3.86Å; D8-A11 WeakPolarHBondContact O-CA 3.43Å; D8-A11 WeakPolarHBondContact O-CB 3.32Å; D8-A11 PolarHBondContact O-N 3Å; A11-L13 VanDerWaalsContact C-N 3.32Å; A11-L13 PolarHBondContact O-N 2.96Å; A11-G14 PolarHBondContact O-N 2.88Å
12V89.6Confident76Confident36 Ų3677.6 Ų77.622%0.21846%0.456CS..Hα-helixtrans-60.9-39.9174.7177.40000111.7K7 D8 L9 Y10 G14 E55 V56 A59K7-V12 HydrophobicContact CB-CG2 4.28Å; D8-V12 PolarHBondContact O-N 3.1Å; L9-V12 PolarHBondContact O-N 3.43Å; Y10-V12 VanDerWaalsContact C-N 3.33Å; Y10-V12 PolarHBondContact O-N 3.49Å; V12-G14 VanDerWaalsContact C-N 3.28Å; V12-G14 PolarHBondContact O-N 3.22Å; V12-E55 HydrophobicContact CG1-CB 4Å; V12-E55 WeakPolarHBondContact CG1-O 3.44Å; V12-V56 HydrophobicContact CG1-CG2 4.12Å; V12-A59 HydrophobicContact CB-CB 4.08Å; V12-A59 HydrophobicContact CG1-CB 3.96Å
13L88.1Confident78.4Confident1 Ų176.6 Ų76.61%0.00544%0.44CS..THydrogen-bonded Turntrans-80.4-3.8174.7-71.3173.3000113.9L9 Y10 A11 G15 L24 R27 Y28 L31 V56 A59 W60 L63L9-L13 PolarHBondContact O-N 3.43Å; Y10-L13 CarbonylContact O-C 3.54Å; Y10-L13 PolarHBondContact O-N 2.79Å; A11-L13 VanDerWaalsContact C-N 3.32Å; A11-L13 PolarHBondContact O-N 2.96Å; L13-G15 PolarHBondContact O-N 2.75Å; L13-L24 HydrophobicContact CD1-CD2 4.44Å; L13-R27 WeakPolarHBondContact O-CD 3.25Å; L13-Y28 HydrophobicContact CD2-CD2 4.3Å; L13-L31 HydrophobicContact CD2-CD1 4.46Å; L13-V56 HydrophobicContact CD2-CG1 3.98Å; L13-A59 HydrophobicContact CD1-CB 4.3Å; L13-A59 HydrophobicContact CD2-CB 4.5Å; L13-A59 HydrophobicContact CG-CB 3.96Å; L13-W60 HydrophobicContact CD1-CE3 4.46Å; L13-L63 HydrophobicContact CD1-CB 4.12Å; L13-L63 HydrophobicContact CD1-CD1 3.54Å; L13-L63 HydrophobicContact CD1-CG 4.41Å
14G86.5Confident81.1Confident54 Ų5470.9 Ų70.956%0.55741%0.41SS*.THydrogen-bonded Turntrans63.130.7-172.700000113.2Y10 A11 V12 R27Y10-G14 PolarHBondContact O-N 2.79Å; Y10-G14 VanDerWaalsContact O-N 3.09Å; A11-G14 PolarHBondContact O-N 2.88Å; V12-G14 VanDerWaalsContact C-N 3.28Å; V12-G14 PolarHBondContact O-N 3.22Å; G14-R27 WeakPolarHBondContact O-CD 3.44Å; G14-R27 PolarHBondContact O-NE 3.25Å; G14-R27 VanDerWaalsContact O-NE 3.08Å
15G86.5Confident83.5Confident14 Ų1471.9 Ų71.914%0.14440%0.398CS..  trans-117.5-178.8-18000000112.9Y10 L13 D19Y10-G15 CarbonylContact C-O 3.39Å; Y10-G15 PolarHBondContact O-N 3.36Å; L13-G15 PolarHBondContact O-N 2.75Å; G15-D19 WeakPolarHBondContact CA-OD2 3.39Å
16S86.6Confident85.7Confident63 Ų6367.8 Ų67.844%0.44138%0.379SS..  trans-121.4154.3177.8-67.30000110.5Y10 S18 D19Y10-S16 WeakPolarHBondContact CD1-O 3.38Å; S16-S18 PolarHBondContact O-N 3.15Å; S16-S18 VanDerWaalsContact O-N 3.12Å; S16-D19 PolarHBondContact N-OD2 2.98Å; S16-D19 WeakPolarHBondContact O-CB 3.29Å; S16-D19 PolarHBondContact O-N 2.8Å
17P84.1Confident87.4Confident69 Ų6964.7 Ų64.745%0.44836%0.361SS..THydrogen-bonded Turntrans-60.6-20.4174.424.5-33.5000113.3Y10 R69Y10-P17 HydrophobicContact CD2-CB 4.19Å; Y10-P17 HydrophobicContact CE1-CB 4.38Å; Y10-P17 HydrophobicContact CE2-CB 3.88Å; P17-R69 PolarHBondContact O-NH2 3.46Å
18S86Confident88.6Confident115 Ų11560.2 Ų60.280%0.80434%0.341SS*.THydrogen-bonded Turntrans-81.7-9174.1-49.60000114.2S16S16-S18 PolarHBondContact O-N 3.15Å; S16-S18 VanDerWaalsContact O-N 3.12Å
19D87.7Confident88.9Confident16 Ų1661.6 Ų61.69%0.08635%0.346CS..SBendtrans-71.1141.1179.6-80.4-67.9000111.3G15 S16 Q23 L24 R27 R69G15-D19 WeakPolarHBondContact CA-OD2 3.39Å; S16-D19 PolarHBondContact N-OD2 2.98Å; S16-D19 WeakPolarHBondContact O-CB 3.29Å; S16-D19 PolarHBondContact O-N 2.8Å; D19-Q23 HydrophobicContact CB-CB 4.26Å; D19-Q23 PolarHBondContact OD1-OE1 2.88Å; D19-L24 HydrophobicContact CB-CD2 4.04Å; D19-L24 HydrophobicContact CB-CG 4.07Å; D19-R27 IonicContact OD1-CZ 2.88Å; D19-R27 IonicContact OD1-NH1 2.8Å; D19-R27 PolarHBondContact OD1-NH1 3.28Å; D19-R27 IonicContact OD1-NH2 2.9Å; D19-R27 PolarHBondContact OD1-NH2 3.01Å; D19-R27 IonicContact OD2-CZ 3.29Å; D19-R27 IonicContact OD2-NH1 3.9Å; D19-R27 PolarHBondContact OD2-NH1 3.1Å; D19-R27 IonicContact OD2-NH2 2.7Å; D19-R27 PolarHBondContact OD2-NH2 3.25Å; D19-R69 PolarHBondContact O-NH1 3.26Å; D19-R69 PolarHBondContact O-NH2 3.04Å
20S89.4Confident89Confident72 Ų7265.8 Ų65.850%0.50336%0.364SS..  trans-68.6153.4173-64.60000111.3Q22 Q23 L24S20-Q22 PolarHBondContact O-N 3.37Å; S20-Q22 VanDerWaalsContact O-N 3.15Å; S20-Q23 WeakPolarHBondContact O-CB 3.27Å; S20-Q23 PolarHBondContact O-N 3.37Å; S20-L24 PolarHBondContact O-N 3Å
21L89Confident88.9Confident52 Ų5267.3 Ų67.327%0.27237%0.373SS..Hα-helixtrans-55.4-35.6178.7-167150.3000112.4L24 R25 W60 G64 Q66L21-L24 PolarHBondContact O-N 3.41Å; L21-R25 WeakPolarHBondContact O-CB 3.29Å; L21-R25 PolarHBondContact O-N 2.74Å; L21-W60 HydrophobicContact CD2-CH2 4.33Å; L21-G64 WeakPolarHBondContact CD1-O 3.4Å; L21-Q66 HydrophobicContact CD1-CG 3.85Å
22Q89.7Confident88.9Confident163 Ų16364.8 Ų64.876%0.76235%0.352SS*.Hα-helixtrans-63.7-39.6174-72.8-172.3-2600113.3S20 R25 H26S20-Q22 PolarHBondContact O-N 3.37Å; S20-Q22 VanDerWaalsContact O-N 3.15Å; Q22-R25 PolarHBondContact O-N 2.93Å; Q22-H26 PolarHBondContact O-N 2.74Å
23Q90.8Very high88.7Confident93 Ų9368.3 Ų68.344%0.43537%0.369SS..Hα-helixtrans-68.7-41.7178.1-68.3169.4-54.100110.6D19 S20 R25 H26 R27D19-Q23 HydrophobicContact CB-CB 4.26Å; D19-Q23 PolarHBondContact OD1-OE1 2.88Å; S20-Q23 WeakPolarHBondContact O-CB 3.27Å; S20-Q23 PolarHBondContact O-N 3.37Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; Q23-H26 PolarHBondContact O-N 3.02Å; Q23-R27 WeakPolarHBondContact O-CG 3.46Å; Q23-R27 PolarHBondContact O-N 3.32Å
24L90.6Very high88.5Confident0 Ų074.4 Ų74.40%040%0.395CS..Hα-helixtrans-62.6-41.7173.8-66.1174.6000111.6Y10 L13 D19 S20 L21 H26 R27 Y28 W60 L63Y10-L24 HydrophobicContact CD1-CD1 4.46Å; Y10-L24 HydrophobicContact CD1-CD2 4.31Å; Y10-L24 HydrophobicContact CE1-CD1 4.06Å; L13-L24 HydrophobicContact CD1-CD2 4.44Å; D19-L24 HydrophobicContact CB-CD2 4.04Å; D19-L24 HydrophobicContact CB-CG 4.07Å; S20-L24 PolarHBondContact O-N 3Å; L21-L24 PolarHBondContact O-N 3.41Å; L24-H26 VanDerWaalsContact C-N 3.34Å; L24-H26 PolarHBondContact O-N 3.42Å; L24-R27 PolarHBondContact O-N 2.88Å; L24-Y28 WeakPolarHBondContact O-CB 3.22Å; L24-Y28 PolarHBondContact O-N 2.82Å; L24-W60 HydrophobicContact CB-CZ3 3.98Å; L24-L63 HydrophobicContact CD1-CB 4.46Å
25R90.6Very high88.3Confident139 Ų13974.3 Ų74.353%0.52538%0.378SS..Hα-helixtrans-60.4-44.2175.6-171175.9174.8171.60.6111.9L21 Q22 Q23 Y28 Q29 W60L21-R25 WeakPolarHBondContact O-CB 3.29Å; L21-R25 PolarHBondContact O-N 2.74Å; Q22-R25 PolarHBondContact O-N 2.93Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; R25-Y28 PolarHBondContact O-N 2.9Å; R25-Q29 WeakPolarHBondContact O-CG 3.23Å; R25-Q29 PolarHBondContact O-N 3.46Å; R25-W60 VanDerWaalsContact CA-CH2 3.46Å; R25-W60 VanDerWaalsContact CA-CZ3 3.47Å; R25-W60 HydrophobicContact CB-CH2 3.43Å; R25-W60 VanDerWaalsContact CB-CH2 3.43Å; R25-W60 HydrophobicContact CB-CZ2 4.11Å; R25-W60 HydrophobicContact CB-CZ3 3.99Å; R25-W60 HydrophobicContact CG-CH2 3.8Å; R25-W60 HydrophobicContact CG-CZ2 3.93Å
26H91.6Very high88Confident102 Ų10277.7 Ų77.747%0.47239%0.39SS..Hα-helixtrans-63.1-44.8178.8-171.872.5000111.3Q22 Q23 L24 Q29 Q30Q22-H26 PolarHBondContact O-N 2.74Å; Q23-H26 PolarHBondContact O-N 3.02Å; L24-H26 VanDerWaalsContact C-N 3.34Å; L24-H26 PolarHBondContact O-N 3.42Å; H26-Q29 PolarHBondContact O-N 3.46Å; H26-Q30 PolarHBondContact NE2-NE2 3.12Å; H26-Q30 WeakPolarHBondContact O-CG 3.47Å; H26-Q30 PolarHBondContact O-N 2.98Å
27R91.1Very high87.3Confident75 Ų7577.9 Ų77.928%0.28339%0.39SS..Hα-helixtrans-60.9-45.8175-71.5-175.2176.599-9.4112L13 G14 D19 Q23 L24 Q29 Q30 L31L13-R27 WeakPolarHBondContact O-CD 3.25Å; G14-R27 WeakPolarHBondContact O-CD 3.44Å; G14-R27 PolarHBondContact O-NE 3.25Å; G14-R27 VanDerWaalsContact O-NE 3.08Å; D19-R27 IonicContact OD1-CZ 2.88Å; D19-R27 IonicContact OD1-NH1 2.8Å; D19-R27 PolarHBondContact OD1-NH1 3.28Å; D19-R27 IonicContact OD1-NH2 2.9Å; D19-R27 PolarHBondContact OD1-NH2 3.01Å; D19-R27 IonicContact OD2-CZ 3.29Å; D19-R27 IonicContact OD2-NH1 3.9Å; D19-R27 PolarHBondContact OD2-NH1 3.1Å; D19-R27 IonicContact OD2-NH2 2.7Å; D19-R27 PolarHBondContact OD2-NH2 3.25Å; Q23-R27 WeakPolarHBondContact O-CG 3.46Å; Q23-R27 PolarHBondContact O-N 3.32Å; L24-R27 PolarHBondContact O-N 2.88Å; R27-Q29 VanDerWaalsContact C-N 3.33Å; R27-Q29 PolarHBondContact O-N 2.88Å; R27-Q30 PolarHBondContact O-N 3.36Å; R27-L31 WeakPolarHBondContact O-CG 3.34Å; R27-L31 PolarHBondContact O-N 3.03Å
28Y92Very high86.7Confident44 Ų4481.2 Ų81.217%0.17340%0.404CS..Hα-helixtrans-55-47.8174.6169.9-104.2000111.7L13 L24 R25 Q30 L31 A32 V56 D57 W60L13-Y28 HydrophobicContact CD2-CD2 4.3Å; L24-Y28 WeakPolarHBondContact O-CB 3.22Å; L24-Y28 PolarHBondContact O-N 2.82Å; R25-Y28 PolarHBondContact O-N 2.9Å; Y28-Q30 VanDerWaalsContact C-N 3.35Å; Y28-Q30 PolarHBondContact O-N 3.42Å; Y28-L31 PolarHBondContact O-N 3.11Å; Y28-A32 VanDerWaalsContact O-CB 3.25Å; Y28-A32 WeakPolarHBondContact O-CB 3.21Å; Y28-A32 PolarHBondContact O-N 3.05Å; Y28-V56 HydrophobicContact CD2-CG1 3.62Å; Y28-V56 HydrophobicContact CE2-CG1 4.02Å; Y28-D57 PolarHBondContact OH-OD2 3.36Å; Y28-D57 VanDerWaalsContact OH-OD2 3.06Å; Y28-W60 AromaticContact CD1-CD1 3.94Å; Y28-W60 HydrophobicContact CD1-CD2 4.01Å; Y28-W60 AromaticContact CD1-CG 3.94Å; Y28-W60 HydrophobicContact CD1-CG 3.94Å; Y28-W60 HydrophobicContact CD2-CB 3.4Å; Y28-W60 HydrophobicContact CD2-CD2 4.19Å; Y28-W60 AromaticContact CD2-CG 3.58Å; Y28-W60 HydrophobicContact CD2-CG 3.58Å; Y28-W60 AromaticContact CE1-CD1 3.73Å; Y28-W60 HydrophobicContact CE1-CG 4.11Å; Y28-W60 AromaticContact CE1-NE1 3.97Å; Y28-W60 HydrophobicContact CE2-CB 3.58Å; Y28-W60 AromaticContact CE2-CD1 3.89Å; Y28-W60 AromaticContact CE2-CG 3.77Å; Y28-W60 HydrophobicContact CE2-CG 3.77Å; Y28-W60 HydrophobicContact CG-CB 3.96Å; Y28-W60 AromaticContact CG-CD2 3.79Å; Y28-W60 HydrophobicContact CG-CD2 3.79Å; Y28-W60 HydrophobicContact CG-CE3 4.2Å; Y28-W60 AromaticContact CG-CG 3.65Å; Y28-W60 HydrophobicContact CG-CG 3.65Å; Y28-W60 AromaticContact CZ-CD1 3.68Å
29Q90.4Very high85.8Confident85 Ų8584.6 Ų84.640%0.39740%0.399SS..Hα-helixtrans-60.9-42.2178.5-73.1173.3-1500112.4R25 H26 R27 L33R25-Q29 WeakPolarHBondContact O-CG 3.23Å; R25-Q29 PolarHBondContact O-N 3.46Å; H26-Q29 PolarHBondContact O-N 3.46Å; R27-Q29 VanDerWaalsContact C-N 3.33Å; R27-Q29 PolarHBondContact O-N 2.88Å; Q29-L33 WeakPolarHBondContact O-CB 3.32Å; Q29-L33 VanDerWaalsContact O-CG 3.25Å; Q29-L33 WeakPolarHBondContact O-CG 3.08Å; Q29-L33 PolarHBondContact O-N 3.28Å
30Q90Very high84.7Confident114 Ų11485.8 Ų85.853%0.53341%0.405SS..Hα-helixtrans-64.3-43.8177-70.5-169.2-8.400112.2H26 R27 Y28 L33 K34H26-Q30 PolarHBondContact NE2-NE2 3.12Å; H26-Q30 WeakPolarHBondContact O-CG 3.47Å; H26-Q30 PolarHBondContact O-N 2.98Å; R27-Q30 PolarHBondContact O-N 3.36Å; Y28-Q30 VanDerWaalsContact C-N 3.35Å; Y28-Q30 PolarHBondContact O-N 3.42Å; Q30-L33 PolarHBondContact O-N 2.94Å; Q30-K34 WeakPolarHBondContact O-CB 3.39Å; Q30-K34 PolarHBondContact O-N 3.12Å; Q30-K34 VanDerWaalsContact O-N 3.08Å
31L88.9Confident83.1Confident37 Ų3786.8 Ų86.819%0.19443%0.427CS..Hα-helixtrans-66.7-44.4178.2-67.7168.8000111L13 R27 Y28 L33 K34 Y35 V56L13-L31 HydrophobicContact CD2-CD1 4.46Å; R27-L31 WeakPolarHBondContact O-CG 3.34Å; R27-L31 PolarHBondContact O-N 3.03Å; Y28-L31 PolarHBondContact O-N 3.11Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L33 PolarHBondContact O-N 3.33Å; L31-K34 WeakPolarHBondContact O-CB 3.13Å; L31-K34 PolarHBondContact O-N 2.96Å; L31-K34 VanDerWaalsContact O-N 3.07Å; L31-Y35 HydrophobicContact CB-CD2 4.38Å; L31-Y35 HydrophobicContact CD2-CD2 4.4Å; L31-Y35 HydrophobicContact CD2-CE2 3.78Å; L31-Y35 WeakPolarHBondContact O-CD2 2.98Å; L31-Y35 PolarHBondContact O-N 2.85Å; L31-V56 HydrophobicContact CB-CG1 3.93Å; L31-V56 HydrophobicContact CB-CG2 4.29Å; L31-V56 HydrophobicContact CD1-CG1 4.23Å; L31-V56 HydrophobicContact CD1-CG2 4.04Å
32A87.6Confident81.6Confident16 Ų1686.1 Ų86.113%0.13243%0.433CS..Hα-helixtrans-57.3-44.1176.200000111.6Y28 K34 H36 F53Y28-A32 VanDerWaalsContact O-CB 3.25Å; Y28-A32 WeakPolarHBondContact O-CB 3.21Å; Y28-A32 PolarHBondContact O-N 3.05Å; A32-K34 VanDerWaalsContact C-N 3.31Å; A32-K34 PolarHBondContact O-N 2.76Å; A32-H36 WeakPolarHBondContact O-CA 3.09Å; A32-H36 VanDerWaalsContact O-CB 3.3Å; A32-H36 WeakPolarHBondContact O-CB 3.38Å; A32-H36 PolarHBondContact O-N 2.83Å; A32-F53 HydrophobicContact CB-CD2 4.49Å; A32-F53 HydrophobicContact CB-CE2 3.95Å
33L85.9Confident80.1Confident110 Ų11086.6 Ų86.658%0.57644%0.435SS*.Hα-helixtrans-70.1-24.9177.2-71.3170.2000114Q29 Q30 L31 R39Q29-L33 WeakPolarHBondContact O-CB 3.32Å; Q29-L33 VanDerWaalsContact O-CG 3.25Å; Q29-L33 WeakPolarHBondContact O-CG 3.08Å; Q29-L33 PolarHBondContact O-N 3.28Å; Q30-L33 PolarHBondContact O-N 2.94Å; L31-L33 VanDerWaalsContact C-N 3.31Å; L31-L33 PolarHBondContact O-N 3.33Å; L33-R39 WeakPolarHBondContact O-CD 3.26Å; L33-R39 PolarHBondContact O-NH1 3.09Å
34K84Confident78.5Confident129 Ų12989.2 Ų89.256%0.56145%0.452SS*.Hα-helixtrans-80.8-39.8179-175.4179.7178.6-170.10111.7Q30 L31 A32Q30-K34 WeakPolarHBondContact O-CB 3.39Å; Q30-K34 PolarHBondContact O-N 3.12Å; Q30-K34 VanDerWaalsContact O-N 3.08Å; L31-K34 WeakPolarHBondContact O-CB 3.13Å; L31-K34 PolarHBondContact O-N 2.96Å; L31-K34 VanDerWaalsContact O-N 3.07Å; A32-K34 VanDerWaalsContact C-N 3.31Å; A32-K34 PolarHBondContact O-N 2.76Å
35Y83Confident77.2Confident53 Ų5392.5 Ų92.521%0.20848%0.475CS..Hα-helixtrans-102.88.6-175.3-61.5-70.3000113.6L31 T52L31-Y35 HydrophobicContact CB-CD2 4.38Å; L31-Y35 HydrophobicContact CD2-CD2 4.4Å; L31-Y35 HydrophobicContact CD2-CE2 3.78Å; L31-Y35 WeakPolarHBondContact O-CD2 2.98Å; L31-Y35 PolarHBondContact O-N 2.85Å; Y35-T52 HydrophobicContact CD1-CG2 4.16Å; Y35-T52 HydrophobicContact CD2-CG2 3.99Å; Y35-T52 HydrophobicContact CE1-CG2 4.01Å; Y35-T52 HydrophobicContact CE2-CG2 3.87Å; Y35-T52 HydrophobicContact CG-CG2 4.16Å
36H79Confident76.1Confident84 Ų8487.1 Ų87.139%0.38946%0.46SS..  trans-61.5129.5178.9-161.9-92.8000111.1A32 D38 R39A32-H36 WeakPolarHBondContact O-CA 3.09Å; A32-H36 VanDerWaalsContact O-CB 3.3Å; A32-H36 WeakPolarHBondContact O-CB 3.38Å; A32-H36 PolarHBondContact O-N 2.83Å; H36-D38 VanDerWaalsContact CE1-CB 3.44Å; H36-D38 WeakPolarHBondContact CE1-CB 3.48Å; H36-D38 WeakPolarHBondContact ND1-CB 3.32Å; H36-D38 PolarHBondContact ND1-N 2.8Å; H36-D38 PolarHBondContact O-N 3.02Å; H36-D38 VanDerWaalsContact O-N 3.16Å; H36-R39 PolarHBondContact O-N 3.42Å; H36-R39 VanDerWaalsContact O-N 3.12Å
37P71.9Confident75.2Confident67 Ų6789.4 Ų89.444%0.43547%0.471SS..G310 helixtrans-61.4-28.2-175.924-34.2000113.1R39 L40 V50P37-R39 VanDerWaalsContact C-N 3.29Å; P37-R39 PolarHBondContact O-N 2.7Å; P37-L40 PolarHBondContact O-N 3.07Å; P37-V50 HydrophobicContact CB-CG2 4.19Å
38D72Confident74.5Confident140 Ų14089.7 Ų89.775%0.74949%0.485SS*.G310 helixtrans-64.7-27.4178.3-163.4-112000113.8H36H36-D38 VanDerWaalsContact CE1-CB 3.44Å; H36-D38 WeakPolarHBondContact CE1-CB 3.48Å; H36-D38 WeakPolarHBondContact ND1-CB 3.32Å; H36-D38 PolarHBondContact ND1-N 2.8Å; H36-D38 PolarHBondContact O-N 3.02Å; H36-D38 VanDerWaalsContact O-N 3.16Å
39R67.1Low73.8Confident185 Ų18588.1 Ų88.170%0.69848%0.48SS*.G310 helixtrans-86.5-11.1177.8-77.7-179.885.4177.59.1113.4L33 H36 P37L33-R39 WeakPolarHBondContact O-CD 3.26Å; L33-R39 PolarHBondContact O-NH1 3.09Å; H36-R39 PolarHBondContact O-N 3.42Å; H36-R39 VanDerWaalsContact O-N 3.12Å; P37-R39 VanDerWaalsContact C-N 3.29Å; P37-R39 PolarHBondContact O-N 2.7Å
40L64.5Low73.5Confident42 Ų4286.7 Ų86.722%0.2248%0.477CS..  trans-107.371.2-172.2-65.1163.6000109.1P37 G42 S49P37-L40 PolarHBondContact O-N 3.07Å; L40-G42 PolarHBondContact O-N 3.44Å; L40-S49 WeakPolarHBondContact CD1-OG 3.5Å
41G56.1Low73.2Confident93 Ų9387.9 Ų87.996%0.95948%0.48SS*.  trans-70.137.517900000115.1
42G57.8Low73.1Confident38 Ų3887.9 Ų87.939%0.39248%0.482SS..SBendtrans-148.9124.1-177.300000113.8L40 N44 S45 A46L40-G42 PolarHBondContact O-N 3.44Å; G42-N44 VanDerWaalsContact C-N 3.29Å; G42-N44 PolarHBondContact O-N 2.94Å; G42-N44 VanDerWaalsContact O-N 3.12Å; G42-S45 PolarHBondContact O-N 3.4Å; G42-S45 VanDerWaalsContact O-N 3.16Å; G42-A46 PolarHBondContact O-N 3.39Å
43E57.5Low73.1Confident172 Ų17289.6 Ų89.680%0.80449%0.487SS*.Hα-helixtrans-50.1-37.4-169.7-156.817191.600114.6
44N58.1Low73.2Confident148 Ų14889.5 Ų89.579%0.79149%0.486SS*.Hα-helixtrans-90-14.5-174.4-62.5-52.6000115.1G42G42-N44 VanDerWaalsContact C-N 3.29Å; G42-N44 PolarHBondContact O-N 2.94Å; G42-N44 VanDerWaalsContact O-N 3.12Å
45S61.4Low73.4Confident69 Ų6986.1 Ų86.148%0.48347%0.472SS..Hα-helixtrans-102.6-16178.8-159.30000112.3G42 S49G42-S45 PolarHBondContact O-N 3.4Å; G42-S45 VanDerWaalsContact O-N 3.16Å; S45-S49 WeakPolarHBondContact O-CB 3.44Å; S45-S49 PolarHBondContact O-N 3.12Å; S45-S49 PolarHBondContact O-OG 2.93Å
46A67.5Low73.8Confident27 Ų2783.8 Ų83.822%0.22346%0.463CS..Hα-helixtrans-65.8-46.1178.900000112.2G42 S48 S49 V50G42-A46 PolarHBondContact O-N 3.39Å; A46-S48 PolarHBondContact O-N 2.98Å; A46-S49 PolarHBondContact O-N 2.86Å; A46-V50 WeakPolarHBondContact O-CB 3.47Å; A46-V50 WeakPolarHBondContact O-CG2 3.15Å; A46-V50 PolarHBondContact O-N 3.2Å
47E73.6Confident74.3Confident150 Ų15081.5 Ų81.570%0.70145%0.454SS*.Hα-helixtrans-62.8-48-173.9-63.4-172.3105.400113.4S49 V50 K51E47-S49 VanDerWaalsContact C-N 3.32Å; E47-S49 PolarHBondContact O-N 3.32Å; E47-V50 PolarHBondContact O-N 2.92Å; E47-K51 WeakPolarHBondContact O-CB 3.46Å; E47-K51 PolarHBondContact O-N 2.9Å
48S76.1Confident75.2Confident80 Ų8080.6 Ų80.656%0.55945%0.453SS*.Hα-helixtrans-65.1-36.9178.3-175.60000112.1A46 T52A46-S48 PolarHBondContact O-N 2.98Å; S48-T52 WeakPolarHBondContact O-CB 3.38Å; S48-T52 PolarHBondContact O-N 3.22Å; S48-T52 PolarHBondContact O-OG1 3.16Å
49S78.7Confident76.1Confident11 Ų1174 Ų748%0.07742%0.417CS..Hα-helixtrans-73.5-39.6178.9-58.90000112.4L40 S45 A46 E47 T52 F53L40-S49 WeakPolarHBondContact CD1-OG 3.5Å; S45-S49 WeakPolarHBondContact O-CB 3.44Å; S45-S49 PolarHBondContact O-N 3.12Å; S45-S49 PolarHBondContact O-OG 2.93Å; A46-S49 PolarHBondContact O-N 2.86Å; E47-S49 VanDerWaalsContact C-N 3.32Å; E47-S49 PolarHBondContact O-N 3.32Å; S49-T52 PolarHBondContact O-N 3.06Å; S49-F53 WeakPolarHBondContact O-CB 3.43Å; S49-F53 PolarHBondContact O-N 3.43Å
50V83Confident77.3Confident55 Ų5567.3 Ų67.333%0.33339%0.392SS..Hα-helixtrans-60.2-48172.3169.70000109.2P37 A46 E47 T52 F53 L54P37-V50 HydrophobicContact CB-CG2 4.19Å; A46-V50 WeakPolarHBondContact O-CB 3.47Å; A46-V50 WeakPolarHBondContact O-CG2 3.15Å; A46-V50 PolarHBondContact O-N 3.2Å; E47-V50 PolarHBondContact O-N 2.92Å; V50-T52 VanDerWaalsContact C-N 3.35Å; V50-T52 PolarHBondContact O-N 2.88Å; V50-F53 WeakPolarHBondContact O-CB 3.36Å; V50-F53 PolarHBondContact O-N 2.94Å; V50-F53 VanDerWaalsContact O-N 3.15Å; V50-L54 HydrophobicContact CG1-CD1 3.47Å; V50-L54 VanDerWaalsContact CG1-CD1 3.47Å; V50-L54 WeakPolarHBondContact O-CD1 3.49Å; V50-L54 PolarHBondContact O-N 2.79Å
51K84.6Confident78.6Confident139 Ų13972 Ų7260%0.60441%0.411SS*.Hα-helixtrans-55.8-48.3175.4-174.9179.1177.8178.90112.2E47 F53 L54 E55E47-K51 WeakPolarHBondContact O-CB 3.46Å; E47-K51 PolarHBondContact O-N 2.9Å; K51-F53 VanDerWaalsContact C-N 3.32Å; K51-F53 PolarHBondContact O-N 2.92Å; K51-L54 PolarHBondContact O-N 2.95Å; K51-E55 WeakPolarHBondContact O-CG 3.29Å; K51-E55 PolarHBondContact O-N 3.01Å
52T85.3Confident80.2Confident37 Ų3770.6 Ų70.623%0.22738%0.38CS..Hα-helixtrans-62-40.2178.2-52.70000111.5Y35 S48 S49 V50 E55 V56Y35-T52 HydrophobicContact CD1-CG2 4.16Å; Y35-T52 HydrophobicContact CD2-CG2 3.99Å; Y35-T52 HydrophobicContact CE1-CG2 4.01Å; Y35-T52 HydrophobicContact CE2-CG2 3.87Å; Y35-T52 HydrophobicContact CG-CG2 4.16Å; S48-T52 WeakPolarHBondContact O-CB 3.38Å; S48-T52 PolarHBondContact O-N 3.22Å; S48-T52 PolarHBondContact O-OG1 3.16Å; S49-T52 PolarHBondContact O-N 3.06Å; V50-T52 VanDerWaalsContact C-N 3.35Å; V50-T52 PolarHBondContact O-N 2.88Å; T52-E55 PolarHBondContact O-N 3.18Å; T52-V56 WeakPolarHBondContact O-CB 3.48Å; T52-V56 VanDerWaalsContact O-CG2 3.3Å; T52-V56 WeakPolarHBondContact O-CG2 3.46Å; T52-V56 PolarHBondContact O-N 3.07Å
53F87.5Confident81.7Confident53 Ų5368.8 Ų68.823%0.23236%0.362CS..Hα-helixtrans-62.6-43.9175.6176.8-96.3000111.9A32 S49 V50 K51 E55 V56 D57A32-F53 HydrophobicContact CB-CD2 4.49Å; A32-F53 HydrophobicContact CB-CE2 3.95Å; S49-F53 WeakPolarHBondContact O-CB 3.43Å; S49-F53 PolarHBondContact O-N 3.43Å; V50-F53 WeakPolarHBondContact O-CB 3.36Å; V50-F53 PolarHBondContact O-N 2.94Å; V50-F53 VanDerWaalsContact O-N 3.15Å; K51-F53 VanDerWaalsContact C-N 3.32Å; K51-F53 PolarHBondContact O-N 2.92Å; F53-E55 VanDerWaalsContact C-N 3.34Å; F53-E55 PolarHBondContact O-N 3.15Å; F53-V56 PolarHBondContact O-N 3.06Å; F53-D57 WeakPolarHBondContact O-CB 3.49Å; F53-D57 PolarHBondContact O-N 2.85Å
54L87.9Confident83.2Confident107 Ų10761.5 Ų61.556%0.5633%0.333SS*.Hα-helixtrans-60.9-42.1175-8696.9000111.9V50 K51 D57 A58V50-L54 HydrophobicContact CG1-CD1 3.47Å; V50-L54 VanDerWaalsContact CG1-CD1 3.47Å; V50-L54 WeakPolarHBondContact O-CD1 3.49Å; V50-L54 PolarHBondContact O-N 2.79Å; K51-L54 PolarHBondContact O-N 2.95Å; L54-D57 PolarHBondContact O-N 3.44Å; L54-A58 WeakPolarHBondContact O-CB 3.39Å; L54-A58 PolarHBondContact O-N 3.5Å
55E90Very high84.7Confident59 Ų5958.2 Ų58.228%0.27632%0.316SS..Hα-helixtrans-61.5-45.3176.2-70.6179.8106.800111.2K7 V12 K51 T52 F53 A58 A59K7-E55 IonicContact NZ-OE1 2.68Å; K7-E55 PolarHBondContact NZ-OE1 2.64Å; V12-E55 HydrophobicContact CG1-CB 4Å; V12-E55 WeakPolarHBondContact CG1-O 3.44Å; K51-E55 WeakPolarHBondContact O-CG 3.29Å; K51-E55 PolarHBondContact O-N 3.01Å; T52-E55 PolarHBondContact O-N 3.18Å; F53-E55 VanDerWaalsContact C-N 3.34Å; F53-E55 PolarHBondContact O-N 3.15Å; E55-A58 PolarHBondContact O-N 2.94Å; E55-A59 WeakPolarHBondContact O-CB 3.32Å; E55-A59 PolarHBondContact O-N 2.88Å
56V90.7Very high86Confident3 Ų362.2 Ų62.22%0.01833%0.326CS..Hα-helixtrans-63.8-41.6177.2166.40000112.1V12 L13 Y28 L31 T52 F53 A59 W60V12-V56 HydrophobicContact CG1-CG2 4.12Å; L13-V56 HydrophobicContact CD2-CG1 3.98Å; Y28-V56 HydrophobicContact CD2-CG1 3.62Å; Y28-V56 HydrophobicContact CE2-CG1 4.02Å; L31-V56 HydrophobicContact CB-CG1 3.93Å; L31-V56 HydrophobicContact CB-CG2 4.29Å; L31-V56 HydrophobicContact CD1-CG1 4.23Å; L31-V56 HydrophobicContact CD1-CG2 4.04Å; T52-V56 WeakPolarHBondContact O-CB 3.48Å; T52-V56 VanDerWaalsContact O-CG2 3.3Å; T52-V56 WeakPolarHBondContact O-CG2 3.46Å; T52-V56 PolarHBondContact O-N 3.07Å; F53-V56 PolarHBondContact O-N 3.06Å; V56-A59 PolarHBondContact O-N 3.35Å; V56-W60 WeakPolarHBondContact O-CB 3.35Å; V56-W60 PolarHBondContact O-N 2.9Å
57D90.2Very high87.1Confident36 Ų3665.1 Ų65.119%0.19334%0.341CS..Hα-helixtrans-66.7-42.4177.5-170.7-109.4000112.1Y28 F53 L54 A59 W60 K61Y28-D57 PolarHBondContact OH-OD2 3.36Å; Y28-D57 VanDerWaalsContact OH-OD2 3.06Å; F53-D57 WeakPolarHBondContact O-CB 3.49Å; F53-D57 PolarHBondContact O-N 2.85Å; L54-D57 PolarHBondContact O-N 3.44Å; D57-A59 VanDerWaalsContact C-N 3.35Å; D57-A59 PolarHBondContact O-N 2.71Å; D57-W60 PolarHBondContact O-N 3.01Å; D57-K61 WeakPolarHBondContact O-CG 3.41Å; D57-K61 PolarHBondContact O-N 2.73Å; D57-K61 WeakPolarHBondContact OD1-CE 3.35Å; D57-K61 IonicContact OD1-NZ 3.5Å; D57-K61 PolarHBondContact OD1-NZ 3.04Å
58A90.6Very high87.8Confident49 Ų4960.1 Ų60.141%0.40532%0.321SS..Hα-helixtrans-60.8-44174.100000111.6L54 E55 K61L54-A58 WeakPolarHBondContact O-CB 3.39Å; L54-A58 PolarHBondContact O-N 3.5Å; E55-A58 PolarHBondContact O-N 2.94Å; A58-K61 PolarHBondContact O-N 3.47Å
59A91.1Very high88.5Confident0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-62.9-42.5175.700000112.1L9 V12 L13 E55 V56 D57 K61 I62 L63L9-A59 HydrophobicContact CB-CB 4.12Å; L9-A59 HydrophobicContact CD2-CB 4.17Å; V12-A59 HydrophobicContact CB-CB 4.08Å; V12-A59 HydrophobicContact CG1-CB 3.96Å; L13-A59 HydrophobicContact CD1-CB 4.3Å; L13-A59 HydrophobicContact CD2-CB 4.5Å; L13-A59 HydrophobicContact CG-CB 3.96Å; E55-A59 WeakPolarHBondContact O-CB 3.32Å; E55-A59 PolarHBondContact O-N 2.88Å; V56-A59 PolarHBondContact O-N 3.35Å; D57-A59 VanDerWaalsContact C-N 3.35Å; D57-A59 PolarHBondContact O-N 2.71Å; A59-K61 PolarHBondContact O-N 3.01Å; A59-I62 PolarHBondContact O-N 3.32Å; A59-L63 WeakPolarHBondContact O-CB 3.4Å; A59-L63 WeakPolarHBondContact O-CG 3.35Å; A59-L63 PolarHBondContact O-N 2.61Å
60W92.1Very high88.9Confident45 Ų4565.9 Ų65.917%0.1733%0.329CS..Hα-helixtrans-66.4-34.4177.9-180-109.3000113.3L13 L21 L24 R25 Y28 V56 D57 I62 L63 G64L13-W60 HydrophobicContact CD1-CE3 4.46Å; L21-W60 HydrophobicContact CD2-CH2 4.33Å; L24-W60 HydrophobicContact CB-CZ3 3.98Å; R25-W60 VanDerWaalsContact CA-CH2 3.46Å; R25-W60 VanDerWaalsContact CA-CZ3 3.47Å; R25-W60 HydrophobicContact CB-CH2 3.43Å; R25-W60 VanDerWaalsContact CB-CH2 3.43Å; R25-W60 HydrophobicContact CB-CZ2 4.11Å; R25-W60 HydrophobicContact CB-CZ3 3.99Å; R25-W60 HydrophobicContact CG-CH2 3.8Å; R25-W60 HydrophobicContact CG-CZ2 3.93Å; Y28-W60 AromaticContact CD1-CD1 3.94Å; Y28-W60 HydrophobicContact CD1-CD2 4.01Å; Y28-W60 AromaticContact CD1-CG 3.94Å; Y28-W60 HydrophobicContact CD1-CG 3.94Å; Y28-W60 HydrophobicContact CD2-CB 3.4Å; Y28-W60 HydrophobicContact CD2-CD2 4.19Å; Y28-W60 AromaticContact CD2-CG 3.58Å; Y28-W60 HydrophobicContact CD2-CG 3.58Å; Y28-W60 AromaticContact CE1-CD1 3.73Å; Y28-W60 HydrophobicContact CE1-CG 4.11Å; Y28-W60 AromaticContact CE1-NE1 3.97Å; Y28-W60 HydrophobicContact CE2-CB 3.58Å; Y28-W60 AromaticContact CE2-CD1 3.89Å; Y28-W60 AromaticContact CE2-CG 3.77Å; Y28-W60 HydrophobicContact CE2-CG 3.77Å; Y28-W60 HydrophobicContact CG-CB 3.96Å; Y28-W60 AromaticContact CG-CD2 3.79Å; Y28-W60 HydrophobicContact CG-CD2 3.79Å; Y28-W60 HydrophobicContact CG-CE3 4.2Å; Y28-W60 AromaticContact CG-CG 3.65Å; Y28-W60 HydrophobicContact CG-CG 3.65Å; Y28-W60 AromaticContact CZ-CD1 3.68Å; V56-W60 WeakPolarHBondContact O-CB 3.35Å; V56-W60 PolarHBondContact O-N 2.9Å; D57-W60 PolarHBondContact O-N 3.01Å; W60-I62 PolarHBondContact O-N 3.29Å; W60-L63 PolarHBondContact O-N 3.21Å; W60-G64 VanDerWaalsContact O-CA 3.23Å; W60-G64 WeakPolarHBondContact O-CA 3.23Å; W60-G64 PolarHBondContact O-N 2.76Å
61K90.6Very high89.3Confident141 Ų14168.3 Ų68.361%0.61334%0.337SS*.Hα-helixtrans-58.8-33.1174.7-78.5171.9-175.9152.10113.1D57 A58 A59D57-K61 WeakPolarHBondContact O-CG 3.41Å; D57-K61 PolarHBondContact O-N 2.73Å; D57-K61 WeakPolarHBondContact OD1-CE 3.35Å; D57-K61 IonicContact OD1-NZ 3.5Å; D57-K61 PolarHBondContact OD1-NZ 3.04Å; A58-K61 PolarHBondContact O-N 3.47Å; A59-K61 PolarHBondContact O-N 3.01Å
62I90.1Very high89.4Confident63 Ų6363 Ų6332%0.32331%0.313SS..Hα-helixtrans-90-41.5-179.7-60.2168.3000110.9L9 A59 W60 T68 R69 Y72L9-I62 HydrophobicContact CD1-CB 3.71Å; L9-I62 HydrophobicContact CD1-CD1 3.49Å; L9-I62 VanDerWaalsContact CD1-CD1 3.49Å; L9-I62 HydrophobicContact CD1-CG1 4.18Å; L9-I62 HydrophobicContact CD1-CG2 3.58Å; L9-I62 HydrophobicContact CD2-CD1 4.48Å; A59-I62 PolarHBondContact O-N 3.32Å; W60-I62 PolarHBondContact O-N 3.29Å; I62-T68 CarbonylContact O-C 3.59Å; I62-T68 WeakPolarHBondContact O-CB 3.44Å; I62-T68 PolarHBondContact O-OG1 3.31Å; I62-R69 PolarHBondContact O-N 3.2Å; I62-Y72 HydrophobicContact CG2-CD2 4.38Å; I62-Y72 HydrophobicContact CG2-CG 4.08Å
63L89.4Confident89.6Confident0 Ų063.8 Ų63.80%032%0.316CS..Hα-helixtrans-87.3-13.9-175.6-63.9179.5000114.3L9 Y10 L13 L24 A59 W60 R69 Y72L9-L63 HydrophobicContact CB-CD1 3.65Å; L9-L63 HydrophobicContact CB-CD2 4.49Å; L9-L63 HydrophobicContact CB-CG 4.06Å; Y10-L63 HydrophobicContact CD1-CD1 3.78Å; Y10-L63 HydrophobicContact CD1-CD2 4.33Å; Y10-L63 HydrophobicContact CD2-CD2 4.49Å; Y10-L63 HydrophobicContact CE1-CD1 3.97Å; Y10-L63 HydrophobicContact CE1-CD2 3.73Å; Y10-L63 HydrophobicContact CE1-CG 4.44Å; Y10-L63 HydrophobicContact CE2-CD2 3.94Å; Y10-L63 HydrophobicContact CG-CD1 4.1Å; L13-L63 HydrophobicContact CD1-CB 4.12Å; L13-L63 HydrophobicContact CD1-CD1 3.54Å; L13-L63 HydrophobicContact CD1-CG 4.41Å; L24-L63 HydrophobicContact CD1-CB 4.46Å; A59-L63 WeakPolarHBondContact O-CB 3.4Å; A59-L63 WeakPolarHBondContact O-CG 3.35Å; A59-L63 PolarHBondContact O-N 2.61Å; W60-L63 PolarHBondContact O-N 3.21Å; L63-R69 HydrophobicContact CD2-CG 4.11Å; L63-Y72 HydrophobicContact CD2-CD1 3.86Å; L63-Y72 HydrophobicContact CD2-CE1 4.25Å
64G88.3Confident89.6Confident20 Ų2066 Ų6621%0.20633%0.33CS..SBendtrans-81.6-22-176.700000114.4L21 W60L21-G64 WeakPolarHBondContact CD1-O 3.4Å; W60-G64 VanDerWaalsContact O-CA 3.23Å; W60-G64 WeakPolarHBondContact O-CA 3.23Å; W60-G64 PolarHBondContact O-N 2.76Å
65D90.3Very high89.5Confident79 Ų7966.9 Ų66.942%0.42233%0.331SS..SBendtrans-104140.6170.7-176.3-92.1000110.9T67 T68 R69D65-T67 VanDerWaalsContact C-N 3.29Å; D65-T67 PolarHBondContact O-N 2.97Å; D65-T67 WeakPolarHBondContact OD1-CA 3.39Å; D65-T67 WeakPolarHBondContact OD1-CB 3.49Å; D65-T67 PolarHBondContact OD1-N 3.33Å; D65-T67 PolarHBondContact OD1-OG1 2.88Å; D65-T68 HydrophobicContact CB-CG2 4.49Å; D65-T68 WeakPolarHBondContact CB-OG1 3.35Å; D65-T68 PolarHBondContact O-OG1 3.44Å; D65-T68 PolarHBondContact OD1-N 2.9Å; D65-R69 WeakPolarHBondContact O-CB 3.44Å; D65-R69 PolarHBondContact O-N 3.46Å
66Q88.1Confident89.2Confident152 Ų15266.4 Ų66.471%0.7133%0.327SS*.Hα-helixtrans-67.2-32.2-176.6-68.9-178.334.100112.5L21 R70L21-Q66 HydrophobicContact CD1-CG 3.85Å; Q66-R70 WeakPolarHBondContact O-CB 3.47Å; Q66-R70 PolarHBondContact O-N 3.42Å; Q66-R70 VanDerWaalsContact O-N 3.09Å
67T90.6Very high88.8Confident88 Ų8874.3 Ų74.354%0.5436%0.356SS..Hα-helixtrans-71-53.7-179.1-42.10000109.6D65 R69 R70 E71D65-T67 VanDerWaalsContact C-N 3.29Å; D65-T67 PolarHBondContact O-N 2.97Å; D65-T67 WeakPolarHBondContact OD1-CA 3.39Å; D65-T67 WeakPolarHBondContact OD1-CB 3.49Å; D65-T67 PolarHBondContact OD1-N 3.33Å; D65-T67 PolarHBondContact OD1-OG1 2.88Å; T67-R69 VanDerWaalsContact C-N 3.31Å; T67-R69 PolarHBondContact O-N 3.45Å; T67-R70 WeakPolarHBondContact O-CB 3.37Å; T67-R70 PolarHBondContact O-N 3.4Å; T67-R70 VanDerWaalsContact O-N 3.12Å; T67-E71 WeakPolarHBondContact O-CG 3.39Å; T67-E71 PolarHBondContact O-N 2.92Å
68T89.6Confident88.4Confident45 Ų4574.6 Ų74.628%0.27636%0.363SS..Hα-helixtrans-65.7-35.2-179.555.40000112I62 D65 E71 Y72I62-T68 CarbonylContact O-C 3.59Å; I62-T68 WeakPolarHBondContact O-CB 3.44Å; I62-T68 PolarHBondContact O-OG1 3.31Å; D65-T68 HydrophobicContact CB-CG2 4.49Å; D65-T68 WeakPolarHBondContact CB-OG1 3.35Å; D65-T68 PolarHBondContact O-OG1 3.44Å; D65-T68 PolarHBondContact OD1-N 2.9Å; T68-E71 PolarHBondContact O-N 3.27Å; T68-Y72 WeakPolarHBondContact O-CB 3.34Å; T68-Y72 PolarHBondContact O-N 2.87Å
69R89.4Confident87.7Confident34 Ų3476.7 Ų76.713%0.12837%0.365CS..Hα-helixtrans-61.8-45.5172.7178176.1174.7172.2-0.9111.2Y10 P17 D19 I62 L63 D65 T67 Y72 D73Y10-R69 WeakPolarHBondContact OH-CG 3.41Å; Y10-R69 PolarHBondContact OH-NE 3.47Å; P17-R69 PolarHBondContact O-NH2 3.46Å; D19-R69 PolarHBondContact O-NH1 3.26Å; D19-R69 PolarHBondContact O-NH2 3.04Å; I62-R69 PolarHBondContact O-N 3.2Å; L63-R69 HydrophobicContact CD2-CG 4.11Å; D65-R69 WeakPolarHBondContact O-CB 3.44Å; D65-R69 PolarHBondContact O-N 3.46Å; T67-R69 VanDerWaalsContact C-N 3.31Å; T67-R69 PolarHBondContact O-N 3.45Å; R69-Y72 PolarHBondContact O-N 3.41Å; R69-D73 IonicContact NE-OD2 3.8Å; R69-D73 WeakPolarHBondContact O-CB 3.49Å; R69-D73 VanDerWaalsContact O-CG 3.23Å; R69-D73 PolarHBondContact O-N 3.03Å
70R88.4Confident86.6Confident179 Ų17982.5 Ų82.568%0.67539%0.392SS*.Hα-helixtrans-63-43177.8-179.8-179.3176.5-177.7-1.3111.4Q66 T67 Y72 D73 L74Q66-R70 WeakPolarHBondContact O-CB 3.47Å; Q66-R70 PolarHBondContact O-N 3.42Å; Q66-R70 VanDerWaalsContact O-N 3.09Å; T67-R70 WeakPolarHBondContact O-CB 3.37Å; T67-R70 PolarHBondContact O-N 3.4Å; T67-R70 VanDerWaalsContact O-N 3.12Å; R70-Y72 VanDerWaalsContact C-N 3.33Å; R70-D73 PolarHBondContact O-N 3.41Å; R70-L74 HydrophobicContact CG-CD1 4.2Å; R70-L74 WeakPolarHBondContact O-CB 3.43Å; R70-L74 VanDerWaalsContact O-CG 3.25Å; R70-L74 WeakPolarHBondContact O-CG 3.46Å; R70-L74 PolarHBondContact O-N 2.83Å
71E89.7Confident85.5Confident106 Ų10686.6 Ų86.650%0.49542%0.417SS..Hα-helixtrans-60.8-44.6176.2-71.7177.49500111.4T67 T68 L74 Q75T67-E71 WeakPolarHBondContact O-CG 3.39Å; T67-E71 PolarHBondContact O-N 2.92Å; T68-E71 PolarHBondContact O-N 3.27Å; E71-L74 PolarHBondContact O-N 3.21Å; E71-Q75 WeakPolarHBondContact O-CG 3.44Å; E71-Q75 PolarHBondContact O-N 2.95Å
72Y88.4Confident84.2Confident28 Ų2886.6 Ų86.611%0.1142%0.417CS..Hα-helixtrans-61.6-46.6175.1178.3-107.8000112.3D8 L9 Y10 I62 L63 T68 R69 R70 L74 Q75 R76D8-Y72 PolarHBondContact OD1-OH 3.09Å; L9-Y72 HydrophobicContact CB-CE1 3.97Å; L9-Y72 HydrophobicContact CD1-CD1 4.16Å; L9-Y72 HydrophobicContact CD1-CD2 3.65Å; L9-Y72 HydrophobicContact CD1-CE1 3.95Å; L9-Y72 HydrophobicContact CD1-CE2 3.45Å; L9-Y72 VanDerWaalsContact CD1-CE2 3.45Å; L9-Y72 HydrophobicContact CD1-CG 4Å; L9-Y72 HydrophobicContact CG-CD2 4.41Å; L9-Y72 HydrophobicContact CG-CE1 4.07Å; L9-Y72 HydrophobicContact CG-CE2 3.71Å; L9-Y72 PolarHBondContact N-OH 3.21Å; Y10-Y72 AromaticContact CD2-CE1 3.91Å; Y10-Y72 HydrophobicContact CD2-CE1 3.91Å; Y10-Y72 AromaticContact CE2-CD1 3.97Å; Y10-Y72 HydrophobicContact CE2-CD1 3.97Å; Y10-Y72 AromaticContact CE2-CE1 3.69Å; Y10-Y72 HydrophobicContact CE2-CE1 3.69Å; I62-Y72 HydrophobicContact CG2-CD2 4.38Å; I62-Y72 HydrophobicContact CG2-CG 4.08Å; L63-Y72 HydrophobicContact CD2-CD1 3.86Å; L63-Y72 HydrophobicContact CD2-CE1 4.25Å; T68-Y72 WeakPolarHBondContact O-CB 3.34Å; T68-Y72 PolarHBondContact O-N 2.87Å; R69-Y72 PolarHBondContact O-N 3.41Å; R70-Y72 VanDerWaalsContact C-N 3.33Å; Y72-L74 VanDerWaalsContact C-N 3.29Å; Y72-L74 PolarHBondContact O-N 2.76Å; Y72-Q75 PolarHBondContact O-N 3.49Å; Y72-R76 HydrophobicContact CD1-CG 4.39Å; Y72-R76 HydrophobicContact CD2-CG 4.49Å; Y72-R76 VanDerWaalsContact CE1-CD 3.45Å; Y72-R76 HydrophobicContact CE1-CG 3.98Å; Y72-R76 HydrophobicContact CE2-CG 4.06Å; Y72-R76 WeakPolarHBondContact O-CG 3.32Å; Y72-R76 PolarHBondContact O-N 3.48Å
73D88.3Confident82.5Confident53 Ų5388.1 Ų88.128%0.28342%0.422SS..Hα-helixtrans-62-37177.8-70-23.3000111.7Y10 R69 R70 R77Y10-D73 VanDerWaalsContact CE2-OD1 3.29Å; Y10-D73 WeakPolarHBondContact CE2-OD1 3.49Å; Y10-D73 VanDerWaalsContact OH-CG 3.29Å; Y10-D73 PolarHBondContact OH-OD1 3.06Å; Y10-D73 PolarHBondContact OH-OD2 3.29Å; R69-D73 IonicContact NE-OD2 3.8Å; R69-D73 WeakPolarHBondContact O-CB 3.49Å; R69-D73 VanDerWaalsContact O-CG 3.23Å; R69-D73 PolarHBondContact O-N 3.03Å; R70-D73 PolarHBondContact O-N 3.41Å; D73-R77 WeakPolarHBondContact O-CB 3.06Å; D73-R77 PolarHBondContact O-N 3.02Å
74L87.8Confident80.5Confident100 Ų10093.5 Ų93.552%0.52445%0.451SS..Hα-helixtrans-66.6-44.3174.1-74171.1000112.1R70 E71 Y72 R77 A78R70-L74 HydrophobicContact CG-CD1 4.2Å; R70-L74 WeakPolarHBondContact O-CB 3.43Å; R70-L74 VanDerWaalsContact O-CG 3.25Å; R70-L74 WeakPolarHBondContact O-CG 3.46Å; R70-L74 PolarHBondContact O-N 2.83Å; E71-L74 PolarHBondContact O-N 3.21Å; Y72-L74 VanDerWaalsContact C-N 3.29Å; Y72-L74 PolarHBondContact O-N 2.76Å; L74-R77 PolarHBondContact O-N 3.08Å; L74-A78 VanDerWaalsContact O-CB 3.32Å; L74-A78 WeakPolarHBondContact O-CB 3.36Å; L74-A78 PolarHBondContact O-N 2.81Å
75Q85.7Confident78.8Confident125 Ų125101.4 Ų101.458%0.58448%0.475SS*.Hα-helixtrans-62-45.2176.8-75.6176.9-19.100111.4E71 Y72 A78 Q79E71-Q75 WeakPolarHBondContact O-CG 3.44Å; E71-Q75 PolarHBondContact O-N 2.95Å; Y72-Q75 PolarHBondContact O-N 3.49Å; Q75-A78 PolarHBondContact O-N 3.38Å; Q75-Q79 WeakPolarHBondContact O-CG 3.45Å; Q75-Q79 PolarHBondContact O-N 3.26Å
76R84Confident77.1Confident48 Ų48103 Ų10318%0.18149%0.487CS..Hα-helixtrans-57.3-50.5175.1-78.5-161.168-176.410.3111.9D8 Y72 A78 Q79 E80D8-R76 VanDerWaalsContact CG-CZ 3.46Å; D8-R76 IonicContact OD1-CZ 2.85Å; D8-R76 IonicContact OD1-NE 3.88Å; D8-R76 PolarHBondContact OD1-NE 3.28Å; D8-R76 VanDerWaalsContact OD1-NE 3.07Å; D8-R76 IonicContact OD1-NH1 3.48Å; D8-R76 PolarHBondContact OD1-NH1 2.97Å; D8-R76 IonicContact OD1-NH2 3.44Å; D8-R76 PolarHBondContact OD1-NH2 3.39Å; D8-R76 IonicContact OD2-CZ 3.07Å; D8-R76 IonicContact OD2-NH1 3.01Å; D8-R76 IonicContact OD2-NH2 3.61Å; D8-R76 PolarHBondContact OD2-NH2 3.29Å; Y72-R76 HydrophobicContact CD1-CG 4.39Å; Y72-R76 HydrophobicContact CD2-CG 4.49Å; Y72-R76 VanDerWaalsContact CE1-CD 3.45Å; Y72-R76 HydrophobicContact CE1-CG 3.98Å; Y72-R76 HydrophobicContact CE2-CG 4.06Å; Y72-R76 WeakPolarHBondContact O-CG 3.32Å; Y72-R76 PolarHBondContact O-N 3.48Å; R76-A78 VanDerWaalsContact C-N 3.28Å; R76-A78 PolarHBondContact O-N 2.95Å; R76-Q79 WeakPolarHBondContact O-CB 3.34Å; R76-Q79 PolarHBondContact O-N 3.42Å; R76-Q79 VanDerWaalsContact O-N 3.12Å; R76-E80 WeakPolarHBondContact O-CG 3.33Å; R76-E80 PolarHBondContact O-N 2.99Å
77R82.6Confident75.8Confident169 Ų16998.2 Ų98.264%0.63847%0.469SS*.Hα-helixtrans-62.4-37.2178.1-170.9175.5-176.41731.6112D73 L74 Q79 E80 L81D73-R77 WeakPolarHBondContact O-CB 3.06Å; D73-R77 PolarHBondContact O-N 3.02Å; L74-R77 PolarHBondContact O-N 3.08Å; R77-Q79 VanDerWaalsContact C-N 3.34Å; R77-E80 PolarHBondContact O-N 2.94Å; R77-L81 HydrophobicContact CG-CD1 4.35Å; R77-L81 VanDerWaalsContact O-CG 3.27Å; R77-L81 WeakPolarHBondContact O-CG 3.25Å; R77-L81 PolarHBondContact O-N 3.39Å
78A80.9Confident74.4Confident42 Ų4298.2 Ų98.235%0.34747%0.465SS..Hα-helixtrans-66.5-36.1175.600000112.1L74 Q75 R76 L81 K82L74-A78 VanDerWaalsContact O-CB 3.32Å; L74-A78 WeakPolarHBondContact O-CB 3.36Å; L74-A78 PolarHBondContact O-N 2.81Å; Q75-A78 PolarHBondContact O-N 3.38Å; R76-A78 VanDerWaalsContact C-N 3.28Å; R76-A78 PolarHBondContact O-N 2.95Å; A78-L81 PolarHBondContact O-N 3.05Å; A78-K82 VanDerWaalsContact O-CG 3.23Å; A78-K82 WeakPolarHBondContact O-CG 3.48Å; A78-K82 PolarHBondContact O-N 3.2Å
79Q75.3Confident73.2Confident94 Ų9498.9 Ų98.944%0.43947%0.472SS..Hα-helixtrans-66.4-43.5173.3-75.4179.9-21.900111.7Q75 R76 R77 L81 K82 Q83Q75-Q79 WeakPolarHBondContact O-CG 3.45Å; Q75-Q79 PolarHBondContact O-N 3.26Å; R76-Q79 WeakPolarHBondContact O-CB 3.34Å; R76-Q79 PolarHBondContact O-N 3.42Å; R76-Q79 VanDerWaalsContact O-N 3.12Å; R77-Q79 VanDerWaalsContact C-N 3.34Å; Q79-L81 VanDerWaalsContact C-N 3.27Å; Q79-L81 PolarHBondContact O-N 2.94Å; Q79-K82 PolarHBondContact O-N 3.47Å; Q79-K82 VanDerWaalsContact O-N 3.11Å; Q79-Q83 PolarHBondContact O-N 3.43Å
80E69.4Low72.3Confident122 Ų122101.6 Ų101.657%0.5749%0.492SS*.Hα-helixtrans-57.9-41.2174.5-70.4173.8169.500111.6R76 R77 K82 Q83R76-E80 WeakPolarHBondContact O-CG 3.33Å; R76-E80 PolarHBondContact O-N 2.99Å; R77-E80 PolarHBondContact O-N 2.94Å; E80-K82 VanDerWaalsContact C-N 3.35Å; E80-Q83 PolarHBondContact O-N 3.22Å
81L69.1Low71.6Confident130 Ų13093.3 Ų93.368%0.68146%0.462SS*.Hα-helixtrans-71.5-26.2177.4-70.4169.9000113.7R77 A78 Q79 Q83R77-L81 HydrophobicContact CG-CD1 4.35Å; R77-L81 VanDerWaalsContact O-CG 3.27Å; R77-L81 WeakPolarHBondContact O-CG 3.25Å; R77-L81 PolarHBondContact O-N 3.39Å; A78-L81 PolarHBondContact O-N 3.05Å; Q79-L81 VanDerWaalsContact C-N 3.27Å; Q79-L81 PolarHBondContact O-N 2.94Å; L81-Q83 VanDerWaalsContact C-N 3.33Å
82K63.3Low70.6Confident142 Ų14291.5 Ų91.562%0.61746%0.455SS*.Hα-helixtrans-79.4-15.8177.2-76.9174.1-179-171.10113.2A78 Q79 E80 D84A78-K82 VanDerWaalsContact O-CG 3.23Å; A78-K82 WeakPolarHBondContact O-CG 3.48Å; A78-K82 PolarHBondContact O-N 3.2Å; Q79-K82 PolarHBondContact O-N 3.47Å; Q79-K82 VanDerWaalsContact O-N 3.11Å; E80-K82 VanDerWaalsContact C-N 3.35Å; K82-D84 VanDerWaalsContact C-N 3.3Å; K82-D84 PolarHBondContact O-N 3.02Å
83Q54.6Low69.5Low95 Ų9592 Ų9244%0.44446%0.46SS..THydrogen-bonded Turntrans-83.4-1.3-174.1-117.5-177.525.100114.2M1 D3 Q79 E80 L81M1-Q83 PolarHBondContact O-NE2 2.83Å; D3-Q83 PolarHBondContact OD2-NE2 3.15Å; Q79-Q83 PolarHBondContact O-N 3.43Å; E80-Q83 PolarHBondContact O-N 3.22Å; L81-Q83 VanDerWaalsContact C-N 3.33Å
84D47.5Very low68.3Low112 Ų11296.1 Ų96.160%0.59948%0.477SS*.  trans-112.582.9173.1-160.2-87.1000109.6K82 T86K82-D84 VanDerWaalsContact C-N 3.3Å; K82-D84 PolarHBondContact O-N 3.02Å; D84-T86 VanDerWaalsContact C-N 3.32Å; D84-T86 PolarHBondContact O-N 2.7Å; D84-T86 VanDerWaalsContact O-N 3.15Å; D84-T86 PolarHBondContact OD1-N 3.06Å; D84-T86 PolarHBondContact OD1-OG1 3.49Å
85W52.5Low67Low186 Ų18697.1 Ų97.171%0.70548%0.483SS*.  trans-72.698.9155-59.2130.1000106.3V87 L132W85-V87 PolarHBondContact O-N 3.44Å; W85-L132 HydrophobicContact CG-CD1 4.35Å
86T52.9Low65.8Low112 Ų11291.5 Ų91.569%0.68746%0.457SS*.  trans-65.486.8167.5-48.40000107.7D84 D88D84-T86 VanDerWaalsContact C-N 3.32Å; D84-T86 PolarHBondContact O-N 2.7Å; D84-T86 VanDerWaalsContact O-N 3.15Å; D84-T86 PolarHBondContact OD1-N 3.06Å; D84-T86 PolarHBondContact OD1-OG1 3.49Å; T86-D88 PolarHBondContact O-N 3.29Å
87V61.4Low64.9Low52 Ų5293.9 Ų93.932%0.31548%0.477SS..  trans-66.2119.7172.2-179.50000107.1W85 S89 L132W85-V87 PolarHBondContact O-N 3.44Å; V87-S89 VanDerWaalsContact C-N 3.34Å; V87-S89 WeakPolarHBondContact CG1-O 3.46Å; V87-L132 HydrophobicContact CG2-CD2 3.63Å
88D62.5Low63.6Low89 Ų8993.2 Ų93.248%0.47648%0.475SS..  trans-70-35.1-176.1-176.6-98.9000111.5T86 L140 T141T86-D88 PolarHBondContact O-N 3.29Å; D88-L140 HydrophobicContact CB-CD1 3.87Å; D88-L140 HydrophobicContact CB-CD2 4.04Å; D88-L140 HydrophobicContact CB-CG 3.65Å; D88-L140 VanDerWaalsContact CG-CD1 3.44Å; D88-L140 WeakPolarHBondContact OD1-CD2 3.44Å; D88-T141 PolarHBondContact N-O 3.12Å
89S63.8Low62.4Low59 Ų5999 Ų9941%0.41350%0.495SS..EExtended strand (participates in β ladder)trans-161148.9177.5-71.80000111.3V87 I142 Y143V87-S89 VanDerWaalsContact C-N 3.34Å; V87-S89 WeakPolarHBondContact CG1-O 3.46Å; S89-I142 VanDerWaalsContact O-CA 3.29Å; S89-I142 WeakPolarHBondContact O-CA 3.41Å; S89-I142 WeakPolarHBondContact O-CB 3.5Å; S89-Y143 PolarHBondContact O-N 2.77Å
90T71Confident61.2Low90 Ų90101.4 Ų101.455%0.55252%0.516SS*.EExtended strand (participates in β ladder)trans-94.2131.2167.9-56.70000108.7Y143 T145T90-Y143 CarbonylContact C-O 3.55Å; T90-Y143 VanDerWaalsContact CA-O 3.26Å; T90-Y143 WeakPolarHBondContact CA-O 3.47Å; T90-Y143 HydrophobicContact CG2-CD1 4.02Å; T90-T145 HydrophobicContact CG2-CG2 3.87Å
91V73.2Confident60.5Low6 Ų6103 Ų1034%0.03653%0.528CS..EExtended strand (participates in β ladder)trans-124124.3-1791800000108.2M96 Y107 I142 Y143 V144 T145V91-M96 HydrophobicContact CG1-CE 4.28Å; V91-M96 HydrophobicContact CG1-CG 4.2Å; V91-Y107 HydrophobicContact CG1-CD2 3.7Å; V91-Y107 HydrophobicContact CG1-CE2 3.71Å; V91-Y107 HydrophobicContact CG1-CG 4.12Å; V91-Y107 HydrophobicContact CG2-CD1 4.21Å; V91-Y107 HydrophobicContact CG2-CE1 3.89Å; V91-Y107 HydrophobicContact CG2-CE2 4.41Å; V91-I142 HydrophobicContact CB-CD1 4.26Å; V91-I142 HydrophobicContact CG2-CB 4.32Å; V91-I142 HydrophobicContact CG2-CD1 3.94Å; V91-I142 HydrophobicContact CG2-CG2 4.46Å; V91-Y143 PolarHBondContact N-O 3.38Å; V91-V144 CarbonylContact O-C 3.49Å; V91-V144 WeakPolarHBondContact O-CA 3.07Å; V91-T145 PolarHBondContact O-N 3.48Å
92D67.6Low59.6Low68 Ų68104.1 Ų104.136%0.36453%0.53SS..EExtended strand (participates in β ladder)trans-76.3142.7173-73.2-64.8000110.4E94 D95 T145D92-E94 PolarHBondContact O-N 2.92Å; D92-D95 PolarHBondContact O-N 3.41Å; D92-T145 PolarHBondContact OD1-OG1 3.21Å
93L65.6Low59.1Low38 Ų38101.7 Ų101.720%0.19953%0.53CS..G310 helixtrans-54.9-28.1175.4-77.8-175.4000112.6D95 M96 W98 C105 V144 T145 W146L93-D95 PolarHBondContact O-N 3.28Å; L93-M96 HydrophobicContact CD2-SD 3.67Å; L93-M96 PolarHBondContact O-N 2.84Å; L93-W98 HydrophobicContact CB-CH2 4.3Å; L93-W98 HydrophobicContact CB-CZ2 4.3Å; L93-W98 WeakPolarHBondContact O-CZ2 3.25Å; L93-C105 HydrophobicContact CD2-CB 4.43Å; L93-V144 HydrophobicContact CD2-CG1 3.31Å; L93-V144 HydrophobicContact CG-CG1 3.85Å; L93-T145 PolarHBondContact N-O 2.8Å; L93-W146 HydrophobicContact CD1-CB 3.52Å; L93-W146 HydrophobicContact CD1-CE3 4.42Å; L93-W146 HydrophobicContact CD1-CG 4.38Å; L93-W146 HydrophobicContact CG-CB 4.16Å
94E63.5Low59.6Low139 Ų139101.8 Ų101.865%0.6553%0.53SS*.G310 helixtrans-67.9-21.5179.5-62.8-174.1107.800113.4D92 K150D92-E94 PolarHBondContact O-N 2.92Å; E94-K150 IonicContact OE1-NZ 3.55Å
95D60.1Low60.5Low121 Ų12196.7 Ų96.765%0.64750%0.504SS*.G310 helixtrans-90.90.4178-72.9-35.7000113.3D92 L93D92-D95 PolarHBondContact O-N 3.41Å; L93-D95 PolarHBondContact O-N 3.28Å
96M60.1Low61.6Low7 Ų789.6 Ų89.63%0.03448%0.482CS..SBendtrans-90.2149.6177.8-66.9-175.8153.100112V91 L93 W98 C105 Y107 V117 I142 V144V91-M96 HydrophobicContact CG1-CE 4.28Å; V91-M96 HydrophobicContact CG1-CG 4.2Å; L93-M96 HydrophobicContact CD2-SD 3.67Å; L93-M96 PolarHBondContact O-N 2.84Å; M96-W98 PolarHBondContact O-NE1 3.41Å; M96-W98 VanDerWaalsContact O-NE1 3.1Å; M96-C105 WeakPolarHBondContact CB-SG 3.45Å; M96-C105 HydrophobicContact SD-CB 3.85Å; M96-C105 PolarHBondContact SD-SG 2.97Å; M96-Y107 HydrophobicContact CG-CD2 4.21Å; M96-V117 HydrophobicContact CE-CG2 4.27Å; M96-I142 HydrophobicContact CE-CD1 4.23Å; M96-V144 HydrophobicContact CE-CB 4.23Å; M96-V144 HydrophobicContact CE-CG1 3.66Å; M96-V144 HydrophobicContact CE-CG2 3.47Å; M96-V144 VanDerWaalsContact CE-CG2 3.47Å; M96-V144 HydrophobicContact SD-CG1 4.01Å
97T65.6Low62.8Low99 Ų9988.2 Ų88.261%0.60747%0.465SS*.EExtended strand (participates in β ladder)trans-82.2125.3179.7440000110.6S106T97-S106 PolarHBondContact N-O 3.03Å; T97-S106 PolarHBondContact OG1-O 3.32Å
98W55.6Low63.7Low154 Ų15490.1 Ų90.158%0.58348%0.48SS*.EExtended strand (participates in β ladder)trans-101.3121.8-178.5-50.889.2000110.4L93 M96 C105L93-W98 HydrophobicContact CB-CH2 4.3Å; L93-W98 HydrophobicContact CB-CZ2 4.3Å; L93-W98 WeakPolarHBondContact O-CZ2 3.25Å; M96-W98 PolarHBondContact O-NE1 3.41Å; M96-W98 VanDerWaalsContact O-NE1 3.1Å; W98-C105 HydrophobicContact CZ3-CB 4.17Å; W98-C105 VanDerWaalsContact CZ3-SG 3.54Å
99E54.8Low64.6Low164 Ų16486.4 Ų86.477%0.76646%0.461SS*.PPolyproline II helixtrans-87.7124.3163.8-72.1-103.2126.600108.1D101E99-D101 PolarHBondContact O-N 3.3Å
100T51.8Low65.2Low144 Ų14496 Ų9688%0.88349%0.488SS*.THydrogen-bonded Turntrans-67.25.7-162.9-2.60000117.3
101D52.9Low65.7Low156 Ų15694.8 Ų94.883%0.83448%0.483SS*.THydrogen-bonded Turntrans-132.6-10.5-173.9-85.7-88.5000115E99E99-D101 PolarHBondContact O-N 3.3Å
102E50.4Low66.1Low154 Ų15497.8 Ų97.872%0.7252%0.515SS*.SBendtrans-132.9130.1178.2-59.1-157.9131.600110E104E102-E104 PolarHBondContact O-N 3.47Å
103C54.1Low66.9Low91 Ų9194.7 Ų94.762%0.61550%0.499SS*.  trans-70.339.9-174.7-70.80000113.8K119C103-K119 HydrophobicContact CB-CB 3.8Å; C103-K119 HydrophobicContact CB-CD 4Å; C103-K119 PolarHBondContact O-N 3.15Å; C103-K119 VanDerWaalsContact O-N 3.16Å
104E63.6Low67.7Low97 Ų9795.6 Ų95.645%0.45351%0.507SS..EExtended strand (participates in β ladder)trans-110.2116.9-179.9-176.1167.862.500109.1E102E102-E104 PolarHBondContact O-N 3.47Å
105C67.1Low68.7Low5 Ų589 Ų893%0.03448%0.476CS..EExtended strand (participates in β ladder)trans-94.2128.8176-147.50000108.7L93 M96 W98 S116 V117L93-C105 HydrophobicContact CD2-CB 4.43Å; M96-C105 WeakPolarHBondContact CB-SG 3.45Å; M96-C105 HydrophobicContact SD-CB 3.85Å; M96-C105 PolarHBondContact SD-SG 2.97Å; W98-C105 HydrophobicContact CZ3-CB 4.17Å; W98-C105 VanDerWaalsContact CZ3-SG 3.54Å; C105-S116 CarbonylContact O-C 3.36Å; C105-S116 WeakPolarHBondContact O-CA 3.3Å; C105-V117 HydrophobicContact CB-CB 4.25Å; C105-V117 PolarHBondContact N-O 3.43Å; C105-V117 PolarHBondContact O-N 3Å
106S75.4Confident69.6Low36 Ų3686.1 Ų86.125%0.25247%0.465SS..EExtended strand (participates in β ladder)trans-123.3140.9179.164.80000112.8T97 F115T97-S106 PolarHBondContact N-O 3.03Å; T97-S106 PolarHBondContact OG1-O 3.32Å; S106-F115 CarbonylContact C-O 3.55Å; S106-F115 WeakPolarHBondContact CA-O 3.38Å
107Y78.8Confident70.4Confident84 Ų8486.7 Ų86.733%0.32947%0.469SS..EExtended strand (participates in β ladder)trans-127.4134.7174.3-169.7-101.5000110.7V91 M96 T114 F115 I142V91-Y107 HydrophobicContact CG1-CD2 3.7Å; V91-Y107 HydrophobicContact CG1-CE2 3.71Å; V91-Y107 HydrophobicContact CG1-CG 4.12Å; V91-Y107 HydrophobicContact CG2-CD1 4.21Å; V91-Y107 HydrophobicContact CG2-CE1 3.89Å; V91-Y107 HydrophobicContact CG2-CE2 4.41Å; M96-Y107 HydrophobicContact CG-CD2 4.21Å; Y107-T114 CarbonylContact O-C 3.51Å; Y107-T114 WeakPolarHBondContact O-CA 3.2Å; Y107-F115 AromaticContact CD1-CD2 3.85Å; Y107-F115 HydrophobicContact CD1-CD2 3.85Å; Y107-F115 HydrophobicContact CD1-CE2 4.2Å; Y107-F115 PolarHBondContact N-O 2.68Å; Y107-F115 WeakPolarHBondContact O-CD2 3.3Å; Y107-F115 PolarHBondContact O-N 3.05Å; Y107-I142 HydrophobicContact CD1-CD1 4.12Å
108S79.9Confident70.3Confident91 Ų9184.8 Ų84.864%0.63646%0.46SS*.EExtended strand (participates in β ladder)trans-79.3130-178.461.90000112
109C80.7Confident70.4Confident11 Ų1183.6 Ų83.67%0.07446%0.459CS..  trans-85.5149.8172.1-172.10000111.6C111 G112 G113 F115 C135 C138C109-C111 PolarHBondContact O-N 3.37Å; C109-C111 VanDerWaalsContact O-N 3.1Å; C109-C111 PolarHBondContact SG-SG 3.47Å; C109-G112 PolarHBondContact O-N 2.92Å; C109-G113 VanDerWaalsContact CB-O 3.29Å; C109-G113 WeakPolarHBondContact CB-O 3.49Å; C109-G113 PolarHBondContact N-O 3.08Å; C109-F115 HydrophobicContact CB-CD2 4.19Å; C109-F115 HydrophobicContact CB-CE2 3.42Å; C109-F115 VanDerWaalsContact CB-CE2 3.42Å; C109-F115 HydrophobicContact CB-CZ 3.87Å; C109-C135 HydrophobicContact CB-CB 4.46Å; C109-C135 VanDerWaalsContact CB-SG 3.6Å; C109-C138 VanDerWaalsContact SG-SG 3.63Å
110R78.1Confident70.3Confident261 Ų26184.4 Ų84.499%0.98546%0.462SS*.THydrogen-bonded Turntrans-61.3-17.5175-66.2-177176.9-178.71.8114.1G112R110-G112 VanDerWaalsContact C-N 3.31Å
111C81.4Confident70.1Confident64 Ų6484.5 Ų84.543%0.43245%0.453SS..THydrogen-bonded Turntrans-81.3-9.3174.371.20000113.6C109 G113 C135 C138C109-C111 PolarHBondContact O-N 3.37Å; C109-C111 VanDerWaalsContact O-N 3.1Å; C109-C111 PolarHBondContact SG-SG 3.47Å; C111-G113 PolarHBondContact SG-N 3.07Å; C111-G113 VanDerWaalsContact SG-N 3.37Å; C111-C135 VanDerWaalsContact SG-SG 3.62Å; C111-C138 HydrophobicContact CB-CB 4.29Å
112G80.9Confident70Confident69 Ų6982.2 Ų82.271%0.71144%0.437SS*.SBendtrans93.7-2.5-173.300000114.8C109 R110C109-G112 PolarHBondContact O-N 2.92Å; R110-G112 VanDerWaalsContact C-N 3.31Å
113G84.4Confident70Confident4 Ų482.9 Ų82.94%0.04144%0.442CS..  trans-81.4-177.2167.600000112.8C109 C111 D136C109-G113 VanDerWaalsContact CB-O 3.29Å; C109-G113 WeakPolarHBondContact CB-O 3.49Å; C109-G113 PolarHBondContact N-O 3.08Å; C111-G113 PolarHBondContact SG-N 3.07Å; C111-G113 VanDerWaalsContact SG-N 3.37Å; G113-D136 WeakPolarHBondContact CA-OD1 3.37Å
114T83Confident69.4Low57 Ų5787.3 Ų87.335%0.3545%0.453SS..EExtended strand (participates in β ladder)trans-133141.7-174.1-56.40000110.8Y107 D136Y107-T114 CarbonylContact O-C 3.51Å; Y107-T114 WeakPolarHBondContact O-CA 3.2Å; T114-D136 PolarHBondContact N-OD1 2.97Å; T114-D136 PolarHBondContact O-N 2.79Å
115F83.4Confident68.2Low1 Ų191.9 Ų91.90%0.00448%0.475CS..EExtended strand (participates in β ladder)trans-96.6120.5167.1-55.8-86.2000107.6S106 Y107 C109 V133 C134 C135 L140 I142S106-F115 CarbonylContact C-O 3.55Å; S106-F115 WeakPolarHBondContact CA-O 3.38Å; Y107-F115 AromaticContact CD1-CD2 3.85Å; Y107-F115 HydrophobicContact CD1-CD2 3.85Å; Y107-F115 HydrophobicContact CD1-CE2 4.2Å; Y107-F115 PolarHBondContact N-O 2.68Å; Y107-F115 WeakPolarHBondContact O-CD2 3.3Å; Y107-F115 PolarHBondContact O-N 3.05Å; C109-F115 HydrophobicContact CB-CD2 4.19Å; C109-F115 HydrophobicContact CB-CE2 3.42Å; C109-F115 VanDerWaalsContact CB-CE2 3.42Å; C109-F115 HydrophobicContact CB-CZ 3.87Å; F115-V133 HydrophobicContact CB-CG1 3.84Å; F115-V133 HydrophobicContact CD1-CG1 4.3Å; F115-C134 VanDerWaalsContact CD1-C 3.47Å; F115-C135 HydrophobicContact CD1-CB 4.04Å; F115-C135 HydrophobicContact CE1-CB 3.45Å; F115-C135 VanDerWaalsContact CE1-CB 3.45Å; F115-C135 HydrophobicContact CZ-CB 3.71Å; F115-L140 HydrophobicContact CE1-CB 4.41Å; F115-L140 HydrophobicContact CE2-CD2 4.41Å; F115-L140 HydrophobicContact CZ-CB 4.08Å; F115-L140 HydrophobicContact CZ-CD2 3.66Å; F115-L140 HydrophobicContact CZ-CG 4.42Å; F115-I142 HydrophobicContact CB-CD1 3.74Å; F115-I142 HydrophobicContact CB-CG1 4.33Å; F115-I142 HydrophobicContact CD1-CD1 3.88Å; F115-I142 HydrophobicContact CD1-CG1 3.67Å; F115-I142 HydrophobicContact CD1-CG2 4.48Å; F115-I142 HydrophobicContact CD2-CD1 3.69Å; F115-I142 HydrophobicContact CD2-CG1 4.3Å; F115-I142 HydrophobicContact CE1-CB 4.47Å; F115-I142 HydrophobicContact CE1-CD1 4.39Å; F115-I142 HydrophobicContact CE1-CG1 3.96Å; F115-I142 HydrophobicContact CE1-CG2 3.94Å; F115-I142 HydrophobicContact CE2-CD1 4.23Å; F115-I142 HydrophobicContact CE2-CG2 4.05Å; F115-I142 HydrophobicContact CG-CD1 3.5Å; F115-I142 VanDerWaalsContact CG-CD1 3.5Å; F115-I142 HydrophobicContact CG-CG1 3.86Å; F115-I142 HydrophobicContact CZ-CG1 4.43Å; F115-I142 HydrophobicContact CZ-CG2 3.74Å
116S79.3Confident67.1Low60 Ų6094.7 Ų94.742%0.4250%0.504SS..EExtended strand (participates in β ladder)trans-111.5134.4179.2-590000110.7C105C105-S116 CarbonylContact O-C 3.36Å; C105-S116 WeakPolarHBondContact O-CA 3.3Å
117V76.6Confident65.8Low18 Ų18102.5 Ų102.511%0.10954%0.537CS..EExtended strand (participates in β ladder)trans-128119.6178.4-173.50000109.5M96 C105 V131 V133 V144M96-V117 HydrophobicContact CE-CG2 4.27Å; C105-V117 HydrophobicContact CB-CB 4.25Å; C105-V117 PolarHBondContact N-O 3.43Å; C105-V117 PolarHBondContact O-N 3Å; V117-V131 HydrophobicContact CG1-CG1 4.13Å; V117-V133 HydrophobicContact CG2-CB 4.35Å; V117-V133 HydrophobicContact CG2-CG1 4.08Å; V117-V133 HydrophobicContact CG2-CG2 3.44Å; V117-V133 VanDerWaalsContact CG2-CG2 3.44Å; V117-V144 HydrophobicContact CG2-CG1 4.5Å; V117-V144 HydrophobicContact CG2-CG2 4.29Å
118S64.6Low64.4Low60 Ų60105.8 Ų105.842%0.4256%0.555SS.*EExtended strand (participates in β ladder)trans-88.5135.2175.4-45.80000110E120 E121S118-E120 PolarHBondContact O-N 2.83Å; S118-E121 PolarHBondContact O-N 3.42Å
119K57.6Low63.5Low129 Ų129103.7 Ų103.756%0.56154%0.541SS*.G310 helixtrans-62-5.3179.7-162.4171.9-178.8175.10115.2C103 E122C103-K119 HydrophobicContact CB-CB 3.8Å; C103-K119 HydrophobicContact CB-CD 4Å; C103-K119 PolarHBondContact O-N 3.15Å; C103-K119 VanDerWaalsContact O-N 3.16Å; K119-E122 WeakPolarHBondContact O-CG 3.49Å
120E52.4Low63Low181 Ų181103.8 Ų103.885%0.84654%0.544SS*.G310 helixtrans-89.2-7.6-174.8-60.1175.7176.700114S118 E122S118-E120 PolarHBondContact O-N 2.83Å; E120-E122 PolarHBondContact O-N 3.23Å
121E48.3Very low63Low146 Ų14693 Ų9368%0.68251%0.507SS*.G310 helixtrans-839.2167.2-66.5-172.4138.800112.2S118S118-E121 PolarHBondContact O-N 3.42Å
122E50.4Low62.9Low107 Ų10793.3 Ų93.350%0.550%0.503SS..  trans-66.9130.4160.6-67.7-165.8121.100109.3K119 E120K119-E122 WeakPolarHBondContact O-CG 3.49Å; E120-E122 PolarHBondContact O-N 3.23Å
123M50.2Low63.1Low169 Ų16990.7 Ų90.783%0.83347%0.474SS*.  trans96.129.1153.5-42.7-167.469.200120.9
124H40.4Very low62.9Low183 Ų18394.7 Ų94.785%0.84750%0.5SS*.SBendtrans-105.783.3157.5-73.870.1000111.8
125Q39.8Very low62.9Low194 Ų19492.4 Ų92.491%0.90749%0.486SS*.SBendtrans50.1100.8152-67.2175.11300118.4
126G42.3Very low63Low63 Ų6397.8 Ų97.865%0.64952%0.515SS*.SBendtrans12994.314900000113.9Q128G126-Q128 VanDerWaalsContact C-N 3.26Å; G126-Q128 PolarHBondContact O-N 2.91Å
127E49.8Very low63.2Low201 Ų20199.1 Ų99.194%0.93952%0.521SS*.SBendtrans41.731.9142.7-133.2162.8151.800120.1
128Q47.8Very low63.5Low152 Ų152100.4 Ų100.471%0.7153%0.53SS*.  trans-131.3109.5172.5-107.9157.7-22.200110.9G126 G130 W146G126-Q128 VanDerWaalsContact C-N 3.26Å; G126-Q128 PolarHBondContact O-N 2.91Å; Q128-G130 PolarHBondContact O-N 3.38Å; Q128-W146 WeakPolarHBondContact O-CZ2 3.33Å
129S61.2Low64.3Low48 Ų48103.5 Ų103.534%0.33655%0.552SS.*  trans-79.344.3-176.5-56.40000112.9T145 W146S129-T145 WeakPolarHBondContact O-CA 3.34Å; S129-W146 WeakPolarHBondContact CB-O 3.21Å; S129-W146 PolarHBondContact O-N 2.96Å
130G70.1Confident65.4Low13 Ų1399.6 Ų99.613%0.13454%0.537CS..EExtended strand (participates in β ladder)trans-177.2162178.300000115.4Q128 Y143 V144 W146Q128-G130 PolarHBondContact O-N 3.38Å; G130-Y143 WeakPolarHBondContact CA-OH 3.44Å; G130-V144 CarbonylContact C-O 3.5Å; G130-V144 WeakPolarHBondContact CA-O 3.16Å; G130-W146 VanDerWaalsContact C-CH2 3.46Å
131V79.8Confident66.8Low34 Ų3493 Ų9321%0.20651%0.509CS..EExtended strand (participates in β ladder)trans-130.3147.2-179.165.40000111V117 V133 V144 W146V117-V131 HydrophobicContact CG1-CG1 4.13Å; V131-V133 HydrophobicContact CG1-CG2 3.93Å; V131-V144 HydrophobicContact CG1-CB 4.03Å; V131-V144 PolarHBondContact N-O 3.29Å; V131-V144 PolarHBondContact O-N 3.45Å; V131-W146 HydrophobicContact CB-CH2 4.37Å; V131-W146 HydrophobicContact CB-CZ3 3.97Å; V131-W146 HydrophobicContact CG1-CZ3 3.96Å
132L79.1Confident68.5Low70 Ų7086.2 Ų86.237%0.36648%0.478SS..EExtended strand (participates in β ladder)trans-89.9129.8173.5-73.5168.1000110.4W85 V87 T141 I142 Y143W85-L132 HydrophobicContact CG-CD1 4.35Å; V87-L132 HydrophobicContact CG2-CD2 3.63Å; L132-T141 HydrophobicContact CB-CG2 4.18Å; L132-T141 HydrophobicContact CD2-CG2 3.99Å; L132-I142 WeakPolarHBondContact CA-O 3.5Å; L132-Y143 HydrophobicContact CD2-CD2 3.76Å; L132-Y143 HydrophobicContact CD2-CG 4.31Å; L132-Y143 HydrophobicContact CG-CD2 3.96Å
133V83.8Confident70Confident14 Ų1484.1 Ų84.19%0.08547%0.465CS..EExtended strand (participates in β ladder)trans-127.4129.4-174.9-168.80000110F115 V117 V131 T141 I142 V144F115-V133 HydrophobicContact CB-CG1 3.84Å; F115-V133 HydrophobicContact CD1-CG1 4.3Å; V117-V133 HydrophobicContact CG2-CB 4.35Å; V117-V133 HydrophobicContact CG2-CG1 4.08Å; V117-V133 HydrophobicContact CG2-CG2 3.44Å; V117-V133 VanDerWaalsContact CG2-CG2 3.44Å; V131-V133 HydrophobicContact CG1-CG2 3.93Å; V133-T141 WeakPolarHBondContact O-CA 3Å; V133-I142 HydrophobicContact CB-CG1 4.14Å; V133-I142 PolarHBondContact N-O 2.81Å; V133-I142 PolarHBondContact O-N 3.44Å; V133-V144 HydrophobicContact CB-CG2 4.23Å; V133-V144 HydrophobicContact CG2-CB 4.23Å; V133-V144 HydrophobicContact CG2-CG2 3.55Å
134C80.7Confident71.4Confident89 Ų8976 Ų7660%0.60143%0.426SS*.EExtended strand (participates in β ladder)trans-90.5143.8179.4-460000110.2F115F115-C134 VanDerWaalsContact CD1-C 3.47Å
135C84.4Confident73.1Confident9 Ų968.5 Ų68.56%0.06139%0.393CS..  trans-69.3141.4167.3-175.50000109.5C109 C111 F115 T137 C138 L140C109-C135 HydrophobicContact CB-CB 4.46Å; C109-C135 VanDerWaalsContact CB-SG 3.6Å; C111-C135 VanDerWaalsContact SG-SG 3.62Å; F115-C135 HydrophobicContact CD1-CB 4.04Å; F115-C135 HydrophobicContact CE1-CB 3.45Å; F115-C135 VanDerWaalsContact CE1-CB 3.45Å; F115-C135 HydrophobicContact CZ-CB 3.71Å; C135-T137 VanDerWaalsContact C-N 3.26Å; C135-T137 PolarHBondContact O-N 3.31Å; C135-T137 PolarHBondContact SG-N 3.24Å; C135-T137 VanDerWaalsContact SG-N 3.43Å; C135-C138 VanDerWaalsContact CB-SG 3.51Å; C135-C138 VanDerWaalsContact O-O 3.1Å; C135-C138 VanDerWaalsContact SG-SG 3.62Å; C135-L140 HydrophobicContact CB-CB 4.42Å; C135-L140 PolarHBondContact N-O 3.06Å
136D85.1Confident74.7Confident113 Ų11362.5 Ų62.560%0.60436%0.362SS*.SBendtrans-67.2-27.5174.666.4-67.9000113G113 T114G113-D136 WeakPolarHBondContact CA-OD1 3.37Å; T114-D136 PolarHBondContact N-OD1 2.97Å; T114-D136 PolarHBondContact O-N 2.79Å
137T83.4Confident75.5Confident88 Ų8863.8 Ų63.854%0.5436%0.361SS..SBendtrans-106.6-15.9-170.3-66.50000113.2C135C135-T137 VanDerWaalsContact C-N 3.26Å; C135-T137 PolarHBondContact O-N 3.31Å; C135-T137 PolarHBondContact SG-N 3.24Å; C135-T137 VanDerWaalsContact SG-N 3.43Å
138C82Confident75.7Confident46 Ų4660.8 Ų60.831%0.31135%0.351SS..SBendtrans-145.2178.9179.771.50000113.5C109 C111 C135 L140C109-C138 VanDerWaalsContact SG-SG 3.63Å; C111-C138 HydrophobicContact CB-CB 4.29Å; C135-C138 VanDerWaalsContact CB-SG 3.51Å; C135-C138 VanDerWaalsContact O-O 3.1Å; C135-C138 VanDerWaalsContact SG-SG 3.62Å; C138-L140 PolarHBondContact O-N 3.16Å; C138-L140 VanDerWaalsContact SG-CB 3.52Å
139S80.8Confident75.9Confident124 Ų12460.2 Ų60.287%0.86735%0.352SS*.SBendtrans-85.215.6179.266.40000114.1
140L82.3Confident75.1Confident47 Ų4766.3 Ų66.325%0.24637%0.373CS..  trans-75.3138.2178.4-146.491.8000109.3D88 F115 C135 C138 I142D88-L140 HydrophobicContact CB-CD1 3.87Å; D88-L140 HydrophobicContact CB-CD2 4.04Å; D88-L140 HydrophobicContact CB-CG 3.65Å; D88-L140 VanDerWaalsContact CG-CD1 3.44Å; D88-L140 WeakPolarHBondContact OD1-CD2 3.44Å; F115-L140 HydrophobicContact CE1-CB 4.41Å; F115-L140 HydrophobicContact CE2-CD2 4.41Å; F115-L140 HydrophobicContact CZ-CB 4.08Å; F115-L140 HydrophobicContact CZ-CD2 3.66Å; F115-L140 HydrophobicContact CZ-CG 4.42Å; C135-L140 HydrophobicContact CB-CB 4.42Å; C135-L140 PolarHBondContact N-O 3.06Å; C138-L140 PolarHBondContact O-N 3.16Å; C138-L140 VanDerWaalsContact SG-CB 3.52Å; L140-I142 HydrophobicContact CD2-CG2 4.28Å
141T81Confident73.7Confident44 Ų4474.4 Ų74.427%0.2740%0.404SS..EExtended strand (participates in β ladder)trans-125.8126174.5-53.70000108.6D88 L132 V133D88-T141 PolarHBondContact N-O 3.12Å; L132-T141 HydrophobicContact CB-CG2 4.18Å; L132-T141 HydrophobicContact CD2-CG2 3.99Å; V133-T141 WeakPolarHBondContact O-CA 3Å
142I83.4Confident71.9Confident3 Ų380.7 Ų80.72%0.01543%0.433CS..EExtended strand (participates in β ladder)trans-107151.6174.263.7169.4000109.9S89 V91 M96 Y107 F115 L132 V133 L140 V144S89-I142 VanDerWaalsContact O-CA 3.29Å; S89-I142 WeakPolarHBondContact O-CA 3.41Å; S89-I142 WeakPolarHBondContact O-CB 3.5Å; V91-I142 HydrophobicContact CB-CD1 4.26Å; V91-I142 HydrophobicContact CG2-CB 4.32Å; V91-I142 HydrophobicContact CG2-CD1 3.94Å; V91-I142 HydrophobicContact CG2-CG2 4.46Å; M96-I142 HydrophobicContact CE-CD1 4.23Å; Y107-I142 HydrophobicContact CD1-CD1 4.12Å; F115-I142 HydrophobicContact CB-CD1 3.74Å; F115-I142 HydrophobicContact CB-CG1 4.33Å; F115-I142 HydrophobicContact CD1-CD1 3.88Å; F115-I142 HydrophobicContact CD1-CG1 3.67Å; F115-I142 HydrophobicContact CD1-CG2 4.48Å; F115-I142 HydrophobicContact CD2-CD1 3.69Å; F115-I142 HydrophobicContact CD2-CG1 4.3Å; F115-I142 HydrophobicContact CE1-CB 4.47Å; F115-I142 HydrophobicContact CE1-CD1 4.39Å; F115-I142 HydrophobicContact CE1-CG1 3.96Å; F115-I142 HydrophobicContact CE1-CG2 3.94Å; F115-I142 HydrophobicContact CE2-CD1 4.23Å; F115-I142 HydrophobicContact CE2-CG2 4.05Å; F115-I142 HydrophobicContact CG-CD1 3.5Å; F115-I142 VanDerWaalsContact CG-CD1 3.5Å; F115-I142 HydrophobicContact CG-CG1 3.86Å; F115-I142 HydrophobicContact CZ-CG1 4.43Å; F115-I142 HydrophobicContact CZ-CG2 3.74Å; L132-I142 WeakPolarHBondContact CA-O 3.5Å; V133-I142 HydrophobicContact CB-CG1 4.14Å; V133-I142 PolarHBondContact N-O 2.81Å; V133-I142 PolarHBondContact O-N 3.44Å; L140-I142 HydrophobicContact CD2-CG2 4.28Å; I142-V144 HydrophobicContact CD1-CG2 3.74Å; I142-V144 HydrophobicContact CG1-CG2 3.92Å
143Y81.7Confident69.9Low62 Ų6285.4 Ų85.424%0.24345%0.453CS..EExtended strand (participates in β ladder)trans-101.9117.3170.7-175.6-116.9000108.8S89 T90 V91 G130 L132 T145S89-Y143 PolarHBondContact O-N 2.77Å; T90-Y143 CarbonylContact C-O 3.55Å; T90-Y143 VanDerWaalsContact CA-O 3.26Å; T90-Y143 WeakPolarHBondContact CA-O 3.47Å; T90-Y143 HydrophobicContact CG2-CD1 4.02Å; V91-Y143 PolarHBondContact N-O 3.38Å; G130-Y143 WeakPolarHBondContact CA-OH 3.44Å; L132-Y143 HydrophobicContact CD2-CD2 3.76Å; L132-Y143 HydrophobicContact CD2-CG 4.31Å; L132-Y143 HydrophobicContact CG-CD2 3.96Å; Y143-T145 HydrophobicContact CD1-CG2 3.52Å; Y143-T145 HydrophobicContact CE1-CG2 3.23Å
144V79.8Confident67.7Low0 Ų093 Ų930%049%0.49CS..EExtended strand (participates in β ladder)trans-98.8113.6-175.3-178.90000108.9V91 L93 M96 V117 G130 V131 V133 I142V91-V144 CarbonylContact O-C 3.49Å; V91-V144 WeakPolarHBondContact O-CA 3.07Å; L93-V144 HydrophobicContact CD2-CG1 3.31Å; L93-V144 HydrophobicContact CG-CG1 3.85Å; M96-V144 HydrophobicContact CE-CB 4.23Å; M96-V144 HydrophobicContact CE-CG1 3.66Å; M96-V144 HydrophobicContact CE-CG2 3.47Å; M96-V144 VanDerWaalsContact CE-CG2 3.47Å; M96-V144 HydrophobicContact SD-CG1 4.01Å; V117-V144 HydrophobicContact CG2-CG1 4.5Å; V117-V144 HydrophobicContact CG2-CG2 4.29Å; G130-V144 CarbonylContact C-O 3.5Å; G130-V144 WeakPolarHBondContact CA-O 3.16Å; V131-V144 HydrophobicContact CG1-CB 4.03Å; V131-V144 PolarHBondContact N-O 3.29Å; V131-V144 PolarHBondContact O-N 3.45Å; V133-V144 HydrophobicContact CB-CG2 4.23Å; V133-V144 HydrophobicContact CG2-CB 4.23Å; V133-V144 HydrophobicContact CG2-CG2 3.55Å; I142-V144 HydrophobicContact CD1-CG2 3.74Å; I142-V144 HydrophobicContact CG1-CG2 3.92Å
145T77.9Confident65.7Low25 Ų2593.9 Ų93.915%0.15350%0.497CS..EExtended strand (participates in β ladder)trans-100.9147.5-176.942.10000112.6T90 V91 D92 L93 S129 Y143T90-T145 HydrophobicContact CG2-CG2 3.87Å; V91-T145 PolarHBondContact O-N 3.48Å; D92-T145 PolarHBondContact OD1-OG1 3.21Å; L93-T145 PolarHBondContact N-O 2.8Å; S129-T145 WeakPolarHBondContact O-CA 3.34Å; Y143-T145 HydrophobicContact CD1-CG2 3.52Å; Y143-T145 HydrophobicContact CE1-CG2 3.23Å
146W73.1Confident63.2Low67 Ų67106.8 Ų106.825%0.25455%0.552SS.*  trans-129.4132.9170.661.287.6000111L93 Q128 S129 G130 V131 L148L93-W146 HydrophobicContact CD1-CB 3.52Å; L93-W146 HydrophobicContact CD1-CE3 4.42Å; L93-W146 HydrophobicContact CD1-CG 4.38Å; L93-W146 HydrophobicContact CG-CB 4.16Å; Q128-W146 WeakPolarHBondContact O-CZ2 3.33Å; S129-W146 WeakPolarHBondContact CB-O 3.21Å; S129-W146 PolarHBondContact O-N 2.96Å; G130-W146 VanDerWaalsContact C-CH2 3.46Å; V131-W146 HydrophobicContact CB-CH2 4.37Å; V131-W146 HydrophobicContact CB-CZ3 3.97Å; V131-W146 HydrophobicContact CG1-CZ3 3.96Å; W146-L148 PolarHBondContact O-N 3.34Å
147S58.4Low62.1Low91 Ų91106.5 Ų106.564%0.63655%0.55SS*.  trans-76.4116.8175.4-75.60000110.5N149S147-N149 PolarHBondContact O-N 2.83Å
148L53.6Low61Low138 Ų138107.4 Ų107.472%0.72355%0.55SS**SBendtrans-66.826.8169-75.8172.6000113.6W146W146-L148 PolarHBondContact O-N 3.34Å
149N52.4Low59.9Low140 Ų140110.8 Ų110.875%0.74956%0.563SS**  trans-123.954.9-175-136.2-13.2000111.7S147S147-N149 PolarHBondContact O-N 2.83Å
150K44.8Very low58.6Low175 Ų175110.1 Ų110.176%0.76155%0.546SS*.  trans-124.597149.4-87.6176.4-175155.20108.4E94 M152E94-K150 IonicContact OE1-NZ 3.55Å; K150-M152 PolarHBondContact O-N 3.27Å
151K40.8Very low57.2Low184 Ų184114 Ų11480%0.856%0.564SS**  trans-37125.8156.4-81.7176.7174.3173.80108.7Q153K151-Q153 VanDerWaalsContact C-N 3.34Å; K151-Q153 PolarHBondContact O-N 3.16Å
152M40.7Very low55.6Low166 Ų166118.7 Ų118.782%0.81858%0.584SS**  trans-33.497.6151.7-171.993.277.400110.1K150 M154K150-M152 PolarHBondContact O-N 3.27Å; M152-M154 HydrophobicContact SD-CG 4.13Å
153Q38Very low53.6Low168 Ų168126.9 Ų126.979%0.78562%0.624SS**  trans-114.466.2158.7-80.1-102.5-53.400105.8K151 S155K151-Q153 VanDerWaalsContact C-N 3.34Å; K151-Q153 PolarHBondContact O-N 3.16Å; Q153-S155 PolarHBondContact O-N 3.12Å; Q153-S155 VanDerWaalsContact O-N 3.15Å
154M38.2Very low51.4Low175 Ų175131.9 Ų131.986%0.86265%0.654SS**  trans-73.391153.1-77.5-73.9-171.500106M152M152-M154 HydrophobicContact SD-CG 4.13Å
155S37.8Very low49Very low106 Ų106142.9 Ų142.974%0.74171%0.708SS**  trans-88.4104.6164.4-122.40000107.5Q153Q153-S155 PolarHBondContact O-N 3.12Å; Q153-S155 VanDerWaalsContact O-N 3.15Å
156K32.7Very low46.4Very low280 Ų280153.6 Ų153.6100%1.21776%0.759SS**  trans-161.40137.8-130.2168.2-177.1168.90111.5

Retrieved 156 of 156 residues in 317.1 ms (Link to these results)

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