A0A087WSB0_MOUSE Loading...

Tubulin, alpha 4A

AlphaFold DB , UniProt , Accession A0A087WSB0, Species MOUSE (Mus musculus, Mouse), Gene Tuba4a, Length 81 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
1M79.1Confident90.8Very high209 Ų20975.3 Ų75.3100%1.0341%0.413SS*.  0-55.10-67.1-128.3-76.900111.9N3 A4 C5M1-N3 PolarHBondContact O-N 2.54Å; M1-A4 PolarHBondContact O-N 3.08Å; M1-C5 PolarHBondContact O-N 3.24Å; M1-C5 PolarHBondContact O-SG 3.24Å; M1-C5 VanDerWaalsContact O-SG 3.4Å
2G86.8Confident90.7Very high33 Ų3379.1 Ų79.134%0.3443%0.425SS..Hα-helixtrans-53.3-44.1-179.500000115A4 C5 W6G2-A4 PolarHBondContact O-N 2.94Å; G2-C5 PolarHBondContact O-N 3.19Å; G2-W6 VanDerWaalsContact O-CD1 3.22Å; G2-W6 PolarHBondContact O-N 3.49Å; G2-W6 VanDerWaalsContact O-N 3.12Å
3N88.6Confident90.4Very high56 Ų5676.7 Ų76.730%0.29941%0.41SS..Hα-helixtrans-58.7-45.7179-17053000112.9M1 C5 W6 E7 I63M1-N3 PolarHBondContact O-N 2.54Å; N3-C5 VanDerWaalsContact C-N 3.35Å; N3-C5 PolarHBondContact O-N 3.04Å; N3-W6 PolarHBondContact O-N 3.2Å; N3-E7 PolarHBondContact O-N 3.4Å; N3-I63 HydrophobicContact CB-CG1 4.49Å
4A91.7Very high90.4Very high59 Ų5973.9 Ų73.949%0.48841%0.408SS..Hα-helixtrans-65.9-35.4178.700000112.6M1 G2 E7 L8M1-A4 PolarHBondContact O-N 3.08Å; G2-A4 PolarHBondContact O-N 2.94Å; A4-E7 PolarHBondContact O-N 3.05Å; A4-L8 PolarHBondContact O-N 3.45Å
5C93.9Very high90.5Very high71 Ų7169.4 Ų69.448%0.4838%0.383SS..Hα-helixtrans-63.5-43.2174.7-62.50000111.6M1 G2 N3 L8 Y9M1-C5 PolarHBondContact O-N 3.24Å; M1-C5 PolarHBondContact O-SG 3.24Å; M1-C5 VanDerWaalsContact O-SG 3.4Å; G2-C5 PolarHBondContact O-N 3.19Å; N3-C5 VanDerWaalsContact C-N 3.35Å; N3-C5 PolarHBondContact O-N 3.04Å; C5-L8 PolarHBondContact O-N 3.46Å; C5-Y9 PolarHBondContact O-N 3.46Å
6W94.8Very high90.7Very high30 Ų3070.5 Ų70.511%0.11438%0.384CS..Hα-helixtrans-71.3-35.1178.7-76.4108.2000112.8G2 N3 L8 Y9 C10 F37 F38 P48 A50 F52 F72G2-W6 VanDerWaalsContact O-CD1 3.22Å; G2-W6 PolarHBondContact O-N 3.49Å; G2-W6 VanDerWaalsContact O-N 3.12Å; N3-W6 PolarHBondContact O-N 3.2Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 3.13Å; W6-Y9 HydrophobicContact CE3-CD2 4.13Å; W6-Y9 HydrophobicContact CH2-CD2 4.47Å; W6-Y9 AromaticContact CZ3-CD2 3.94Å; W6-Y9 HydrophobicContact CZ3-CD2 3.94Å; W6-Y9 PolarHBondContact O-N 3.38Å; W6-C10 WeakPolarHBondContact O-CB 3.07Å; W6-C10 PolarHBondContact O-N 3.42Å; W6-C10 PolarHBondContact O-SG 3.27Å; W6-C10 VanDerWaalsContact O-SG 3.36Å; W6-F37 HydrophobicContact CH2-CB 4.03Å; W6-F37 WeakPolarHBondContact CH2-O 3.25Å; W6-F37 HydrophobicContact CZ3-CB 4.21Å; W6-F38 HydrophobicContact CE3-CE1 4.1Å; W6-F38 HydrophobicContact CE3-CE2 4.47Å; W6-F38 AromaticContact CE3-CZ 3.77Å; W6-F38 HydrophobicContact CE3-CZ 3.77Å; W6-F38 HydrophobicContact CZ3-CD1 4.47Å; W6-F38 HydrophobicContact CZ3-CD2 4.46Å; W6-F38 AromaticContact CZ3-CE1 3.89Å; W6-F38 HydrophobicContact CZ3-CE1 3.89Å; W6-F38 AromaticContact CZ3-CE2 3.87Å; W6-F38 HydrophobicContact CZ3-CE2 3.87Å; W6-F38 AromaticContact CZ3-CZ 3.56Å; W6-F38 HydrophobicContact CZ3-CZ 3.56Å; W6-P48 HydrophobicContact CD2-CB 3.93Å; W6-P48 HydrophobicContact CD2-CG 4.18Å; W6-P48 HydrophobicContact CE3-CB 3.73Å; W6-P48 HydrophobicContact CE3-CG 3.81Å; W6-P48 HydrophobicContact CH2-CB 3.74Å; W6-P48 HydrophobicContact CZ2-CB 3.95Å; W6-P48 HydrophobicContact CZ3-CB 3.62Å; W6-P48 HydrophobicContact CZ3-CG 4.06Å; W6-A50 HydrophobicContact CZ2-CB 3.61Å; W6-F52 AromaticContact CD1-CZ 3.73Å; W6-F72 HydrophobicContact CB-CE1 4.45Å; W6-F72 HydrophobicContact CB-CZ 3.94Å; W6-F72 HydrophobicContact CD2-CE1 4.42Å; W6-F72 HydrophobicContact CG-CE1 4.04Å; W6-F72 AromaticContact CG-CZ 3.97Å; W6-F72 HydrophobicContact CG-CZ 3.97Å
7E94.2Very high91Very high86 Ų8669.5 Ų69.540%0.40238%0.382SS..Hα-helixtrans-57.5-46.9169.9173.5168.8-159.700111.1N3 A4 C10 L11 Y68N3-E7 PolarHBondContact O-N 3.4Å; A4-E7 PolarHBondContact O-N 3.05Å; E7-C10 WeakPolarHBondContact O-CB 3.38Å; E7-C10 PolarHBondContact O-N 3.45Å; E7-L11 HydrophobicContact CG-CD1 4.46Å; E7-L11 WeakPolarHBondContact O-CG 3.49Å; E7-L11 PolarHBondContact O-N 3.1Å; E7-Y68 HydrophobicContact CB-CE2 3.85Å; E7-Y68 HydrophobicContact CG-CE2 3.75Å
8L93.6Very high91.2Very high90 Ų9068.6 Ų68.647%0.47138%0.377SS..Hα-helixtrans-63.4-45.6176.8-175.264.5000112.1A4 C5 W6 C10 L11 E12A4-L8 PolarHBondContact O-N 3.45Å; C5-L8 PolarHBondContact O-N 3.46Å; W6-L8 VanDerWaalsContact C-N 3.33Å; W6-L8 PolarHBondContact O-N 3.13Å; L8-C10 VanDerWaalsContact C-N 3.29Å; L8-C10 PolarHBondContact O-N 3.23Å; L8-L11 WeakPolarHBondContact O-CB 3.27Å; L8-L11 PolarHBondContact O-N 3.34Å; L8-L11 VanDerWaalsContact O-N 3.08Å; L8-E12 HydrophobicContact CD1-CG 4.45Å; L8-E12 HydrophobicContact CG-CG 4.39Å; L8-E12 WeakPolarHBondContact O-CG 3.38Å; L8-E12 PolarHBondContact O-N 2.83Å
9Y91.5Very high91.3Very high76 Ų7665 Ų6530%0.29836%0.357SS..Hα-helixtrans-59.9-40.6176.8-83.917000111.9C5 W6 L11 E12 H13 F37C5-Y9 PolarHBondContact O-N 3.46Å; W6-Y9 HydrophobicContact CE3-CD2 4.13Å; W6-Y9 HydrophobicContact CH2-CD2 4.47Å; W6-Y9 AromaticContact CZ3-CD2 3.94Å; W6-Y9 HydrophobicContact CZ3-CD2 3.94Å; W6-Y9 PolarHBondContact O-N 3.38Å; Y9-L11 VanDerWaalsContact C-N 3.32Å; Y9-L11 PolarHBondContact O-N 2.85Å; Y9-E12 PolarHBondContact O-N 2.97Å; Y9-H13 WeakPolarHBondContact O-CB 3.24Å; Y9-H13 PolarHBondContact O-CD2 2.99Å; Y9-H13 PolarHBondContact O-N 3.28Å; Y9-F37 HydrophobicContact CD2-CG 4.42Å; Y9-F37 HydrophobicContact CE2-CB 4.5Å; Y9-F37 AromaticContact CE2-CD1 3.91Å; Y9-F37 HydrophobicContact CE2-CD1 3.91Å; Y9-F37 HydrophobicContact CE2-CD2 4.13Å; Y9-F37 HydrophobicContact CE2-CE1 4.12Å; Y9-F37 HydrophobicContact CE2-CE2 4.33Å; Y9-F37 AromaticContact CE2-CG 3.92Å; Y9-F37 HydrophobicContact CE2-CG 3.92Å; Y9-F37 HydrophobicContact CE2-CZ 4.33Å
10C92.6Very high91.4Very high0 Ų065.4 Ų65.40%036%0.356CS..Hα-helixtrans-60.4-42.9174.1-78.60000111.7W6 E7 L8 G14 I15 Y68 L71W6-C10 WeakPolarHBondContact O-CB 3.07Å; W6-C10 PolarHBondContact O-N 3.42Å; W6-C10 PolarHBondContact O-SG 3.27Å; W6-C10 VanDerWaalsContact O-SG 3.36Å; E7-C10 WeakPolarHBondContact O-CB 3.38Å; E7-C10 PolarHBondContact O-N 3.45Å; L8-C10 VanDerWaalsContact C-N 3.29Å; L8-C10 PolarHBondContact O-N 3.23Å; C10-G14 CarbonylContact O-C 3.38Å; C10-G14 PolarHBondContact O-N 3.44Å; C10-I15 HydrophobicContact CB-CB 4.27Å; C10-I15 WeakPolarHBondContact CB-O 3.39Å; C10-I15 PolarHBondContact O-N 2.86Å; C10-Y68 HydrophobicContact CB-CE1 3.87Å; C10-L71 VanDerWaalsContact SG-CD2 3.58Å
11L91.6Very high91.2Very high118 Ų11863.7 Ų63.762%0.61835%0.346SS*.Hα-helixtrans-66.1-44.1177.3-68.1171.1000112.6E7 L8 Y9 H13 G14E7-L11 HydrophobicContact CG-CD1 4.46Å; E7-L11 WeakPolarHBondContact O-CG 3.49Å; E7-L11 PolarHBondContact O-N 3.1Å; L8-L11 WeakPolarHBondContact O-CB 3.27Å; L8-L11 PolarHBondContact O-N 3.34Å; L8-L11 VanDerWaalsContact O-N 3.08Å; Y9-L11 VanDerWaalsContact C-N 3.32Å; Y9-L11 PolarHBondContact O-N 2.85Å; L11-H13 VanDerWaalsContact C-N 3.28Å; L11-H13 PolarHBondContact O-N 2.87Å; L11-G14 PolarHBondContact O-N 3.31Å
12E90.1Very high91.2Very high121 Ų12158.2 Ų58.257%0.56533%0.326SS*.Hα-helixtrans-62.1-36.3178.9-73.2176.5173.700112.2L8 Y9L8-E12 HydrophobicContact CD1-CG 4.45Å; L8-E12 HydrophobicContact CG-CG 4.39Å; L8-E12 WeakPolarHBondContact O-CG 3.38Å; L8-E12 PolarHBondContact O-N 2.83Å; Y9-E12 PolarHBondContact O-N 2.97Å
13H87Confident90.4Very high48 Ų4860.5 Ų60.522%0.22234%0.337CS..Hα-helixtrans-97.10.5-178.9-65.3-64.1000114Y9 L11 I15 M21Y9-H13 WeakPolarHBondContact O-CB 3.24Å; Y9-H13 PolarHBondContact O-CD2 2.99Å; Y9-H13 PolarHBondContact O-N 3.28Å; L11-H13 VanDerWaalsContact C-N 3.28Å; L11-H13 PolarHBondContact O-N 2.87Å; H13-I15 HydrophobicContact CB-CD1 3.94Å; H13-I15 HydrophobicContact CB-CG1 4.07Å; H13-I15 PolarHBondContact O-N 3.35Å; H13-M21 WeakPolarHBondContact O-CE 3.45Å
14G89.9Confident89.1Confident37 Ų3759.1 Ų59.138%0.38133%0.33SS..THydrogen-bonded Turntrans66.524.8-17900000114.2C10 L11C10-G14 CarbonylContact O-C 3.38Å; C10-G14 PolarHBondContact O-N 3.44Å; L11-G14 PolarHBondContact O-N 3.31Å
15I91.7Very high87.4Confident7 Ų765.8 Ų65.84%0.03635%0.348CS..  trans-85.2125.2176.5-60.5168.8000108.5C10 H13 M21 F38 H46 L71C10-I15 HydrophobicContact CB-CB 4.27Å; C10-I15 WeakPolarHBondContact CB-O 3.39Å; C10-I15 PolarHBondContact O-N 2.86Å; H13-I15 HydrophobicContact CB-CD1 3.94Å; H13-I15 HydrophobicContact CB-CG1 4.07Å; H13-I15 PolarHBondContact O-N 3.35Å; I15-M21 HydrophobicContact CG1-CB 4.36Å; I15-M21 HydrophobicContact CG1-CG 4.41Å; I15-M21 HydrophobicContact CG1-SD 4.03Å; I15-F38 HydrophobicContact CD1-CD1 3.9Å; I15-F38 HydrophobicContact CD1-CD2 3.92Å; I15-F38 HydrophobicContact CD1-CE1 3.67Å; I15-F38 HydrophobicContact CD1-CE2 3.72Å; I15-F38 HydrophobicContact CD1-CG 4.02Å; I15-F38 HydrophobicContact CD1-CZ 3.59Å; I15-H46 HydrophobicContact CD1-CB 4.04Å; I15-H46 HydrophobicContact CG1-CB 4.46Å; I15-H46 HydrophobicContact CG2-CB 4.23Å; I15-L71 HydrophobicContact CG2-CD1 4.27Å
16Q94.3Very high85.6Confident87 Ų8765.2 Ų65.241%0.40734%0.342SS..  trans-72.6161.5177.4-65.7-171.22.900111.6D18 G19 Q20 P22Q16-D18 VanDerWaalsContact CB-OD1 3.27Å; Q16-D18 WeakPolarHBondContact CB-OD1 3.36Å; Q16-D18 PolarHBondContact O-N 2.88Å; Q16-G19 WeakPolarHBondContact O-CA 3.42Å; Q16-G19 PolarHBondContact O-N 3.38Å; Q16-Q20 WeakPolarHBondContact CB-O 3.47Å; Q16-Q20 PolarHBondContact N-O 2.84Å; Q16-P22 VanDerWaalsContact NE2-CG 3.27Å
17P95.7Very high83.6Confident54 Ų5470.8 Ų70.835%0.35137%0.373SS..THydrogen-bonded Turntrans-60.3-16.9-179.4-25.234.9000115.8P67 Y68 L71P17-P67 WeakPolarHBondContact CB-O 3.37Å; P17-Y68 HydrophobicContact CB-CD1 3.82Å; P17-Y68 HydrophobicContact CB-CE1 3.9Å; P17-Y68 HydrophobicContact CB-CG 4.32Å; P17-Y68 HydrophobicContact CG-CD1 4.45Å; P17-Y68 HydrophobicContact CG-CE1 4.02Å; P17-L71 PolarHBondContact O-N 2.66Å
18D94.8Very high81.6Confident53 Ų5370.2 Ų70.228%0.28339%0.39SS..THydrogen-bonded Turntrans-89.8-1.4173.567.4-6.9000113.9Q16 Q20 K45 Q70Q16-D18 VanDerWaalsContact CB-OD1 3.27Å; Q16-D18 WeakPolarHBondContact CB-OD1 3.36Å; Q16-D18 PolarHBondContact O-N 2.88Å; D18-Q20 VanDerWaalsContact OD1-CB 3.31Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.41Å; D18-Q20 WeakPolarHBondContact OD1-CG 3.5Å; D18-Q20 PolarHBondContact OD1-N 3.08Å; D18-Q20 WeakPolarHBondContact OD2-CG 3.4Å; D18-K45 VanDerWaalsContact O-CE 3.26Å; D18-K45 WeakPolarHBondContact O-CE 3.31Å; D18-K45 WeakPolarHBondContact O-CG 3.28Å; D18-Q70 HydrophobicContact CB-CB 4.32Å
19G93.1Very high79.7Confident0 Ų068.7 Ų68.70%040%0.395CS..SBendtrans87.43.1-177.400000114.2Q16 H46Q16-G19 WeakPolarHBondContact O-CA 3.42Å; Q16-G19 PolarHBondContact O-N 3.38Å; G19-H46 WeakPolarHBondContact CA-O 3.45Å; G19-H46 WeakPolarHBondContact O-CB 3.41Å; G19-H46 PolarHBondContact O-N 3.37Å; G19-H46 PolarHBondContact O-ND1 2.95Å
20Q92.5Very high77.6Confident73 Ų7366.8 Ų66.834%0.34140%0.399SS..  trans-78.4143.2177.1-66.3-65.5-22.300111.4Q16 D18Q16-Q20 WeakPolarHBondContact CB-O 3.47Å; Q16-Q20 PolarHBondContact N-O 2.84Å; D18-Q20 VanDerWaalsContact OD1-CB 3.31Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.41Å; D18-Q20 WeakPolarHBondContact OD1-CG 3.5Å; D18-Q20 PolarHBondContact OD1-N 3.08Å; D18-Q20 WeakPolarHBondContact OD2-CG 3.4Å
21M88.1Confident76Confident29 Ų2975 Ų7514%0.14344%0.443CS..  trans-12786.4176.8-172.3172.7167.200109.4H13 I15 S23 D24 F34H13-M21 WeakPolarHBondContact O-CE 3.45Å; I15-M21 HydrophobicContact CG1-CB 4.36Å; I15-M21 HydrophobicContact CG1-CG 4.41Å; I15-M21 HydrophobicContact CG1-SD 4.03Å; M21-S23 PolarHBondContact O-N 3.5Å; M21-S23 VanDerWaalsContact O-N 3.11Å; M21-D24 HydrophobicContact CB-CB 4.13Å; M21-D24 HydrophobicContact CE-CB 4.32Å; M21-D24 HydrophobicContact CG-CB 3.87Å; M21-D24 WeakPolarHBondContact O-CB 3.45Å; M21-D24 PolarHBondContact O-N 3.05Å; M21-D24 HydrophobicContact SD-CB 4.05Å; M21-F34 HydrophobicContact CE-CE1 4.28Å; M21-F34 HydrophobicContact SD-CE1 4.5Å; M21-F34 HydrophobicContact SD-CZ 4.24Å
22P78.6Confident74.8Confident95 Ų9571.9 Ų71.962%0.61743%0.427SS*.THydrogen-bonded Turntrans-63.5-21.5-172.9-20.129.8000114.6Q16 D24Q16-P22 VanDerWaalsContact NE2-CG 3.27Å; P22-D24 VanDerWaalsContact C-N 3.33Å
23S69.1Low73.7Confident80 Ų8070.6 Ų70.656%0.55943%0.432SS*.THydrogen-bonded Turntrans-79.5-16.1177.148.50000113.3M21 K25M21-S23 PolarHBondContact O-N 3.5Å; M21-S23 VanDerWaalsContact O-N 3.11Å; S23-K25 PolarHBondContact O-N 3.35Å
24D63.3Low73.1Confident28 Ų2869 Ų6915%0.1542%0.424CS..  trans-75.9104.3177.7-168.7-1.5000109.4M21 P22 T26 H46M21-D24 HydrophobicContact CB-CB 4.13Å; M21-D24 HydrophobicContact CE-CB 4.32Å; M21-D24 HydrophobicContact CG-CB 3.87Å; M21-D24 WeakPolarHBondContact O-CB 3.45Å; M21-D24 PolarHBondContact O-N 3.05Å; M21-D24 HydrophobicContact SD-CB 4.05Å; P22-D24 VanDerWaalsContact C-N 3.33Å; D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 WeakPolarHBondContact OD1-CA 3.44Å; D24-T26 PolarHBondContact OD1-N 3.34Å; D24-T26 PolarHBondContact OD1-OG1 2.95Å; D24-H46 IonicContact OD2-CE1 3.76Å; D24-H46 IonicContact OD2-NE2 3.77Å
25K55.3Low72.6Confident199 Ų19970.8 Ų70.887%0.86543%0.428SS*.  trans-91.84175.7-66.1-174.3-179.7177.50111.9S23S23-K25 PolarHBondContact O-N 3.35Å
26T55.2Low72.3Confident59 Ų5975 Ų7536%0.36245%0.454SS..  trans-11653.3-169.127.30000110.7D24 G28 G29D24-T26 VanDerWaalsContact C-N 3.29Å; D24-T26 WeakPolarHBondContact OD1-CA 3.44Å; D24-T26 PolarHBondContact OD1-N 3.34Å; D24-T26 PolarHBondContact OD1-OG1 2.95Å; T26-G28 PolarHBondContact O-N 3.36Å; T26-G29 WeakPolarHBondContact CB-O 3.17Å; T26-G29 WeakPolarHBondContact CG2-O 3.29Å; T26-G29 PolarHBondContact O-N 2.89Å; T26-G29 VanDerWaalsContact O-N 3.13Å
27I52.7Low72.1Confident147 Ų14774.8 Ų74.875%0.75445%0.452SS*.THydrogen-bonded Turntrans-52.7105166.2-56.8175000107.7
28G52.7Low71.9Confident74 Ų7472.3 Ų72.376%0.76344%0.435SS*.THydrogen-bonded Turntrans80.720.9177.100000117.5T26T26-G28 PolarHBondContact O-N 3.36Å
29G54.5Low71.8Confident57 Ų5771.8 Ų71.859%0.58844%0.435SS*.  trans-173.774.1177.700000116.1T26T26-G29 WeakPolarHBondContact CB-O 3.17Å; T26-G29 WeakPolarHBondContact CG2-O 3.29Å; T26-G29 PolarHBondContact O-N 2.89Å; T26-G29 VanDerWaalsContact O-N 3.13Å
30G47.2Very low71.6Confident37 Ų3775.8 Ų75.838%0.38145%0.454SS..  trans-144133.8170.400000110D32G30-D32 PolarHBondContact O-N 3.28Å
31D59.2Low71.4Confident173 Ų17374.9 Ų74.993%0.92545%0.453SS*.  trans-71.165.5174-17319.6000110
32D64.9Low71.1Confident51 Ų5178.2 Ų78.227%0.27350%0.495SS..  trans-102.8102.6-163.9-82.6-32.1000110.3G30 F34 T35G30-D32 PolarHBondContact O-N 3.28Å; D32-F34 HydrophobicContact CB-CD1 3.56Å; D32-F34 HydrophobicContact CB-CE1 3.22Å; D32-F34 HydrophobicContact CB-CE2 4.23Å; D32-F34 HydrophobicContact CB-CG 4.22Å; D32-F34 HydrophobicContact CB-CZ 3.58Å; D32-F34 PolarHBondContact O-N 2.84Å; D32-F34 WeakPolarHBondContact OD2-CE1 3.28Å; D32-T35 HydrophobicContact CB-CG2 4.3Å; D32-T35 WeakPolarHBondContact O-CB 3.25Å; D32-T35 WeakPolarHBondContact O-CG2 3.04Å; D32-T35 PolarHBondContact O-N 2.8Å; D32-T35 PolarHBondContact O-OG1 3.12Å
33S67.8Low71.5Confident95 Ų9577.4 Ų77.466%0.66450%0.497SS*.G310 helixtrans-46.1-22.7175.557.20000114.6T36S33-T36 VanDerWaalsContact O-CB 3.31Å; S33-T36 WeakPolarHBondContact O-CB 3.37Å; S33-T36 PolarHBondContact O-N 2.92Å; S33-T36 PolarHBondContact O-OG1 3.05Å
34F74.3Confident72.3Confident14 Ų1474.4 Ų74.46%0.06148%0.478CS..G310 helixtrans-74.2-19.117769.1-106.9000114.8M21 D32 T36 F37 F38 H46M21-F34 HydrophobicContact CE-CE1 4.28Å; M21-F34 HydrophobicContact SD-CE1 4.5Å; M21-F34 HydrophobicContact SD-CZ 4.24Å; D32-F34 HydrophobicContact CB-CD1 3.56Å; D32-F34 HydrophobicContact CB-CE1 3.22Å; D32-F34 HydrophobicContact CB-CE2 4.23Å; D32-F34 HydrophobicContact CB-CG 4.22Å; D32-F34 HydrophobicContact CB-CZ 3.58Å; D32-F34 PolarHBondContact O-N 2.84Å; D32-F34 WeakPolarHBondContact OD2-CE1 3.28Å; F34-T36 PolarHBondContact O-N 2.77Å; F34-T36 VanDerWaalsContact O-N 3.08Å; F34-F37 PolarHBondContact O-N 3.32Å; F34-F38 PolarHBondContact O-N 3.08Å; F34-H46 AromaticContact CE2-CD2 3.74Å; F34-H46 AromaticContact CE2-NE2 3.62Å
35T78.8Confident73.6Confident75 Ų7575.7 Ų75.746%0.4648%0.482SS..G310 helixtrans-59.6-19.9172.958.30000112.7D32 F37 F38 R49D32-T35 HydrophobicContact CB-CG2 4.3Å; D32-T35 WeakPolarHBondContact O-CB 3.25Å; D32-T35 WeakPolarHBondContact O-CG2 3.04Å; D32-T35 PolarHBondContact O-N 2.8Å; D32-T35 PolarHBondContact O-OG1 3.12Å; T35-F37 PolarHBondContact O-N 3.33Å; T35-F38 CarbonylContact C-O 3.57Å; T35-R49 PolarHBondContact O-NE 3.03Å; T35-R49 VanDerWaalsContact O-NE 3.08Å
36T85.8Confident75.4Confident94 Ų9466.4 Ų66.458%0.57744%0.442SS*.G310 helixtrans-56-39.1168.2-500000112.2S33 F34 R49S33-T36 VanDerWaalsContact O-CB 3.31Å; S33-T36 WeakPolarHBondContact O-CB 3.37Å; S33-T36 PolarHBondContact O-N 2.92Å; S33-T36 PolarHBondContact O-OG1 3.05Å; F34-T36 PolarHBondContact O-N 2.77Å; F34-T36 VanDerWaalsContact O-N 3.08Å; T36-R49 WeakPolarHBondContact O-CD 3.42Å
37F90.8Very high77.3Confident84 Ų8464.3 Ų64.337%0.36843%0.429SS..THydrogen-bonded Turntrans-105.9-20.5-174.4-65.6-72000113.5W6 Y9 F34 T35 R49W6-F37 HydrophobicContact CH2-CB 4.03Å; W6-F37 WeakPolarHBondContact CH2-O 3.25Å; W6-F37 HydrophobicContact CZ3-CB 4.21Å; Y9-F37 HydrophobicContact CD2-CG 4.42Å; Y9-F37 HydrophobicContact CE2-CB 4.5Å; Y9-F37 AromaticContact CE2-CD1 3.91Å; Y9-F37 HydrophobicContact CE2-CD1 3.91Å; Y9-F37 HydrophobicContact CE2-CD2 4.13Å; Y9-F37 HydrophobicContact CE2-CE1 4.12Å; Y9-F37 HydrophobicContact CE2-CE2 4.33Å; Y9-F37 AromaticContact CE2-CG 3.92Å; Y9-F37 HydrophobicContact CE2-CG 3.92Å; Y9-F37 HydrophobicContact CE2-CZ 4.33Å; F34-F37 PolarHBondContact O-N 3.32Å; T35-F37 PolarHBondContact O-N 3.33Å; F37-R49 WeakPolarHBondContact O-CB 3.39Å; F37-R49 PolarHBondContact O-N 3.4Å
38F92.1Very high79.4Confident2 Ų257.3 Ų57.31%0.00939%0.394CS..EExtended strand (participates in β ladder)trans-121.4146.6-179.1-64.7-93.5000112.5W6 I15 F34 T35 H46 V47 P48 R49W6-F38 HydrophobicContact CE3-CE1 4.1Å; W6-F38 HydrophobicContact CE3-CE2 4.47Å; W6-F38 AromaticContact CE3-CZ 3.77Å; W6-F38 HydrophobicContact CE3-CZ 3.77Å; W6-F38 HydrophobicContact CZ3-CD1 4.47Å; W6-F38 HydrophobicContact CZ3-CD2 4.46Å; W6-F38 AromaticContact CZ3-CE1 3.89Å; W6-F38 HydrophobicContact CZ3-CE1 3.89Å; W6-F38 AromaticContact CZ3-CE2 3.87Å; W6-F38 HydrophobicContact CZ3-CE2 3.87Å; W6-F38 AromaticContact CZ3-CZ 3.56Å; W6-F38 HydrophobicContact CZ3-CZ 3.56Å; I15-F38 HydrophobicContact CD1-CD1 3.9Å; I15-F38 HydrophobicContact CD1-CD2 3.92Å; I15-F38 HydrophobicContact CD1-CE1 3.67Å; I15-F38 HydrophobicContact CD1-CE2 3.72Å; I15-F38 HydrophobicContact CD1-CG 4.02Å; I15-F38 HydrophobicContact CD1-CZ 3.59Å; F34-F38 PolarHBondContact O-N 3.08Å; T35-F38 CarbonylContact C-O 3.57Å; F38-H46 HydrophobicContact CB-CB 4.33Å; F38-H46 HydrophobicContact CD1-CB 4.08Å; F38-H46 HydrophobicContact CG-CB 4.44Å; F38-V47 CarbonylContact C-O 3.57Å; F38-V47 WeakPolarHBondContact CA-O 3.24Å; F38-P48 HydrophobicContact CD1-CG 4.14Å; F38-P48 HydrophobicContact CE1-CB 4.48Å; F38-P48 HydrophobicContact CE1-CG 3.79Å; F38-R49 PolarHBondContact O-NE 3.22Å; F38-R49 PolarHBondContact O-NH2 2.93Å
39C91.4Very high81.4Confident42 Ų4260.6 Ų60.628%0.28438%0.383SS..EExtended strand (participates in β ladder)trans-97.9129163.5-65.20000108.9H46 V47 R49C39-H46 WeakPolarHBondContact O-CA 3.4Å; C39-V47 PolarHBondContact N-O 2.87Å; C39-V47 PolarHBondContact O-N 3.08Å; C39-R49 VanDerWaalsContact SG-CG 3.57Å; C39-R49 PolarHBondContact SG-NH1 3.03Å
40E89.2Confident83.3Confident83 Ų8358.6 Ų58.639%0.38836%0.361SS..EExtended strand (participates in β ladder)trans-84.9130.9167.2-161-166.4163.200109.8K45E40-K45 CarbonylContact C-O 3.57Å; E40-K45 WeakPolarHBondContact CA-O 3.26Å
41T87.9Confident85.6Confident54 Ų5461.4 Ų61.433%0.33137%0.37SS..PPolyproline II helixtrans-87.5161.3169.569.90000110.3A43 G44 K45 V47T41-A43 PolarHBondContact O-N 3.42Å; T41-A43 PolarHBondContact OG1-N 2.83Å; T41-G44 PolarHBondContact O-N 3.46Å; T41-K45 HydrophobicContact CG2-CB 4.35Å; T41-K45 PolarHBondContact N-O 3.45Å; T41-K45 VanDerWaalsContact OG1-CB 3.31Å; T41-K45 WeakPolarHBondContact OG1-CB 3.37Å; T41-K45 PolarHBondContact OG1-N 3.14Å; T41-K45 PolarHBondContact OG1-O 3Å; T41-V47 HydrophobicContact CG2-CG2 3.95Å
42G82.6Confident87.4Confident99 Ų9954.5 Ų54.5100%1.02133%0.332SS*.THydrogen-bonded Turntrans-60.8-8.8175.500000115.5
43A86.5Confident88.9Confident79 Ų7956.7 Ų56.765%0.65335%0.347SS*.THydrogen-bonded Turntrans-97.212.9174.100000113.4T41 K45T41-A43 PolarHBondContact O-N 3.42Å; T41-A43 PolarHBondContact OG1-N 2.83Å; A43-K45 PolarHBondContact O-N 2.87Å
44G85.6Confident90.2Very high16 Ų1654.6 Ų54.617%0.16533%0.329CS..SBendtrans755.3-178.800000114.4T41 H46T41-G44 PolarHBondContact O-N 3.46Å; G44-H46 PolarHBondContact O-ND1 3.27Å
45K91.5Very high91.3Very high55 Ų5561 Ų6124%0.23936%0.362CS..  trans-78.6129.3177.2-174.1-172.7177.9-1730110.8D18 E40 T41 A43 V47 Q70D18-K45 VanDerWaalsContact O-CE 3.26Å; D18-K45 WeakPolarHBondContact O-CE 3.31Å; D18-K45 WeakPolarHBondContact O-CG 3.28Å; E40-K45 CarbonylContact C-O 3.57Å; E40-K45 WeakPolarHBondContact CA-O 3.26Å; T41-K45 HydrophobicContact CG2-CB 4.35Å; T41-K45 PolarHBondContact N-O 3.45Å; T41-K45 VanDerWaalsContact OG1-CB 3.31Å; T41-K45 WeakPolarHBondContact OG1-CB 3.37Å; T41-K45 PolarHBondContact OG1-N 3.14Å; T41-K45 PolarHBondContact OG1-O 3Å; A43-K45 PolarHBondContact O-N 2.87Å; K45-V47 HydrophobicContact CD-CG2 4.08Å; K45-V47 HydrophobicContact CG-CG2 4.18Å; K45-Q70 WeakPolarHBondContact CE-O 3.46Å; K45-Q70 PolarHBondContact NZ-O 3.11Å
46H92.6Very high92Very high5 Ų561.3 Ų61.32%0.02336%0.359CS..EExtended strand (participates in β ladder)trans-92.4116.5173.1-65.378.2000110.2I15 G19 D24 F34 F38 C39 G44I15-H46 HydrophobicContact CD1-CB 4.04Å; I15-H46 HydrophobicContact CG1-CB 4.46Å; I15-H46 HydrophobicContact CG2-CB 4.23Å; G19-H46 WeakPolarHBondContact CA-O 3.45Å; G19-H46 WeakPolarHBondContact O-CB 3.41Å; G19-H46 PolarHBondContact O-N 3.37Å; G19-H46 PolarHBondContact O-ND1 2.95Å; D24-H46 IonicContact OD2-CE1 3.76Å; D24-H46 IonicContact OD2-NE2 3.77Å; F34-H46 AromaticContact CE2-CD2 3.74Å; F34-H46 AromaticContact CE2-NE2 3.62Å; F38-H46 HydrophobicContact CB-CB 4.33Å; F38-H46 HydrophobicContact CD1-CB 4.08Å; F38-H46 HydrophobicContact CG-CB 4.44Å; C39-H46 WeakPolarHBondContact O-CA 3.4Å; G44-H46 PolarHBondContact O-ND1 3.27Å
47V95.1Very high92.4Very high15 Ų1558.4 Ų58.49%0.09134%0.342CS..EExtended strand (participates in β ladder)trans-111.6125.8-178.6-1790000109.3F38 C39 T41 K45 H73F38-V47 CarbonylContact C-O 3.57Å; F38-V47 WeakPolarHBondContact CA-O 3.24Å; C39-V47 PolarHBondContact N-O 2.87Å; C39-V47 PolarHBondContact O-N 3.08Å; T41-V47 HydrophobicContact CG2-CG2 3.95Å; K45-V47 HydrophobicContact CD-CG2 4.08Å; K45-V47 HydrophobicContact CG-CG2 4.18Å; V47-H73 HydrophobicContact CG1-CB 4.38Å
48P96.1Very high92.6Very high0 Ų058.1 Ų58.10%035%0.347CS..EExtended strand (participates in β ladder)trans-54.4138.3176.3-31.138.5000113.2W6 F38 A50 L71 F72 Q76W6-P48 HydrophobicContact CD2-CB 3.93Å; W6-P48 HydrophobicContact CD2-CG 4.18Å; W6-P48 HydrophobicContact CE3-CB 3.73Å; W6-P48 HydrophobicContact CE3-CG 3.81Å; W6-P48 HydrophobicContact CH2-CB 3.74Å; W6-P48 HydrophobicContact CZ2-CB 3.95Å; W6-P48 HydrophobicContact CZ3-CB 3.62Å; W6-P48 HydrophobicContact CZ3-CG 4.06Å; F38-P48 HydrophobicContact CD1-CG 4.14Å; F38-P48 HydrophobicContact CE1-CB 4.48Å; F38-P48 HydrophobicContact CE1-CG 3.79Å; P48-A50 HydrophobicContact CB-CB 4.14Å; P48-A50 PolarHBondContact O-N 2.78Å; P48-L71 WeakPolarHBondContact CD-O 3.44Å; P48-L71 HydrophobicContact CG-CD1 4.16Å; P48-L71 HydrophobicContact CG-CD2 3.67Å; P48-L71 HydrophobicContact CG-CG 3.61Å; P48-F72 HydrophobicContact CB-CD1 3.95Å; P48-F72 HydrophobicContact CB-CE1 3.75Å; P48-F72 HydrophobicContact CG-CD1 3.83Å; P48-F72 HydrophobicContact CG-CE1 3.57Å; P48-F72 HydrophobicContact CG-CZ 4.39Å; P48-Q76 PolarHBondContact O-NE2 3.11Å; P48-Q76 PolarHBondContact O-OE1 2.87Å
49R95.1Very high92.7Very high142 Ų14261.4 Ų61.454%0.53637%0.367SS..SBendtrans-81.765.5166.4-63.6177.3-168.9-84.7-3.5109.2T35 T36 F37 F38 C39T35-R49 PolarHBondContact O-NE 3.03Å; T35-R49 VanDerWaalsContact O-NE 3.08Å; T36-R49 WeakPolarHBondContact O-CD 3.42Å; F37-R49 WeakPolarHBondContact O-CB 3.39Å; F37-R49 PolarHBondContact O-N 3.4Å; F38-R49 PolarHBondContact O-NE 3.22Å; F38-R49 PolarHBondContact O-NH2 2.93Å; C39-R49 VanDerWaalsContact SG-CG 3.57Å; C39-R49 PolarHBondContact SG-NH1 3.03Å
50A95.2Very high92.9Very high15 Ų1559.6 Ų59.612%0.12435%0.354CS..  trans-131.1156.4-177.500000111.6W6 P48 F52 Q76W6-A50 HydrophobicContact CZ2-CB 3.61Å; P48-A50 HydrophobicContact CB-CB 4.14Å; P48-A50 PolarHBondContact O-N 2.78Å; A50-F52 HydrophobicContact CB-CE2 4.18Å; A50-Q76 VanDerWaalsContact O-CB 3.29Å; A50-Q76 WeakPolarHBondContact O-CB 3.45Å; A50-Q76 WeakPolarHBondContact O-CG 3.4Å; A50-Q76 PolarHBondContact O-NE2 3.48Å
51V96.3Very high93.2Very high96 Ų9658.5 Ų58.558%0.58235%0.351SS*.  trans-131.5129.3165.9-176.60000107.8V53 Q76 I78V51-V53 HydrophobicContact CG1-CG2 3.72Å; V51-Q76 CarbonylContact C-O 3.59Å; V51-Q76 WeakPolarHBondContact CA-O 3.27Å; V51-I78 HydrophobicContact CG1-CD1 3.86Å; V51-I78 HydrophobicContact CG1-CG1 4.42Å
52F96Very high93.5Very high28 Ų2862.2 Ų62.212%0.12337%0.365CS..EExtended strand (participates in β ladder)trans-103.2129.9169.9-66.6-102.9000108.4W6 A50 I60 I63 F72 Q76 L77 I78W6-F52 AromaticContact CD1-CZ 3.73Å; A50-F52 HydrophobicContact CB-CE2 4.18Å; F52-I60 HydrophobicContact CB-CD1 3.47Å; F52-I60 VanDerWaalsContact CB-CD1 3.47Å; F52-I60 HydrophobicContact CG-CD1 4.46Å; F52-I63 HydrophobicContact CD1-CD1 3.48Å; F52-I63 VanDerWaalsContact CD1-CD1 3.48Å; F52-I63 HydrophobicContact CE1-CD1 3.63Å; F52-I63 HydrophobicContact CG-CD1 4.03Å; F52-I63 HydrophobicContact CZ-CD1 4.29Å; F52-F72 HydrophobicContact CD2-CD1 4.47Å; F52-F72 HydrophobicContact CD2-CE1 4.43Å; F52-F72 AromaticContact CE2-CD1 3.87Å; F52-F72 HydrophobicContact CE2-CD1 3.87Å; F52-F72 AromaticContact CE2-CE1 3.43Å; F52-F72 HydrophobicContact CE2-CE1 3.43Å; F52-F72 VanDerWaalsContact CE2-CE1 3.43Å; F52-F72 HydrophobicContact CE2-CE2 4.39Å; F52-F72 AromaticContact CE2-CZ 3.73Å; F52-F72 HydrophobicContact CE2-CZ 3.73Å; F52-F72 HydrophobicContact CZ-CE1 4.06Å; F52-F72 AromaticContact CZ-CZ 3.93Å; F52-F72 HydrophobicContact CZ-CZ 3.93Å; F52-Q76 PolarHBondContact N-O 3.03Å; F52-L77 HydrophobicContact CB-CD2 3.82Å; F52-L77 HydrophobicContact CD2-CD2 3.63Å; F52-L77 HydrophobicContact CE2-CD2 4.48Å; F52-L77 HydrophobicContact CG-CD2 3.94Å; F52-I78 PolarHBondContact O-N 2.79Å
53V96.4Very high94.1Very high97 Ų9758 Ų5859%0.58832%0.318SS*.EExtended strand (participates in β ladder)trans-132125.9179.5-171.70000107.9V51 I78V51-V53 HydrophobicContact CG1-CG2 3.72Å; V53-I78 WeakPolarHBondContact CA-O 3.46Å; V53-I78 HydrophobicContact CG1-CB 4.42Å; V53-I78 HydrophobicContact CG1-CG2 4.42Å; V53-I78 HydrophobicContact CG2-CB 4.3Å; V53-I78 HydrophobicContact CG2-CD1 4.29Å
54D95.8Very high94.5Very high52 Ų5258.3 Ų58.328%0.27830%0.303SS..EExtended strand (participates in β ladder)trans-135.8149.8170.1-153.1-41.3000109.5E56 I60 I78 T79 G80D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 WeakPolarHBondContact CB-O 3.31Å; D54-E56 PolarHBondContact OD1-N 3.39Å; D54-I60 HydrophobicContact CB-CD1 4.19Å; D54-I60 HydrophobicContact CB-CG1 3.69Å; D54-I78 PolarHBondContact N-O 2.87Å; D54-T79 CarbonylContact O-C 3.55Å; D54-T79 VanDerWaalsContact O-CA 3.24Å; D54-T79 WeakPolarHBondContact O-CA 3.45Å; D54-G80 PolarHBondContact O-N 2.83Å
55L95.8Very high95Very high147 Ų14763.7 Ų63.777%0.7733%0.328SS*.SBendtrans-84.5-12173.6-61.7-177.5000111.8G80L55-G80 VanDerWaalsContact O-CA 3.27Å; L55-G80 WeakPolarHBondContact O-CA 3.37Å
56E95.1Very high95.2Very high82 Ų8261.9 Ų61.938%0.38333%0.325SS..SBendtrans-124.3136.7178.9-169.5-76132.400109.1D54 T58D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 WeakPolarHBondContact CB-O 3.31Å; D54-E56 PolarHBondContact OD1-N 3.39Å; E56-T58 VanDerWaalsContact CD-N 3.26Å; E56-T58 VanDerWaalsContact CD-OG1 3.24Å; E56-T58 PolarHBondContact O-N 2.83Å; E56-T58 VanDerWaalsContact OE1-CB 3.25Å; E56-T58 WeakPolarHBondContact OE1-CB 3.08Å; E56-T58 PolarHBondContact OE1-N 3.08Å; E56-T58 PolarHBondContact OE1-OG1 2.79Å; E56-T58 WeakPolarHBondContact OE2-CB 3.45Å; E56-T58 PolarHBondContact OE2-N 3.5Å; E56-T58 VanDerWaalsContact OE2-N 3.08Å; E56-T58 PolarHBondContact OE2-OG1 3.43Å
57P93.8Very high95.3Very high34 Ų3466.5 Ų66.522%0.22136%0.355CS..Hα-helixtrans-73.3-23.6-169.127.2-35.9000115.2V59 I60 D61 T79P57-V59 PolarHBondContact O-N 2.79Å; P57-I60 PolarHBondContact O-N 2.93Å; P57-I60 VanDerWaalsContact O-N 3.13Å; P57-D61 WeakPolarHBondContact O-CB 3.47Å; P57-D61 PolarHBondContact O-N 3.36Å; P57-T79 HydrophobicContact CB-CG2 4.25Å
58T94.9Very high95.3Very high77 Ų7766.6 Ų66.647%0.47235%0.354SS..Hα-helixtrans-53.3-49.8-167.8-61.10000112.4E56 I60 D61 E62E56-T58 VanDerWaalsContact CD-N 3.26Å; E56-T58 VanDerWaalsContact CD-OG1 3.24Å; E56-T58 PolarHBondContact O-N 2.83Å; E56-T58 VanDerWaalsContact OE1-CB 3.25Å; E56-T58 WeakPolarHBondContact OE1-CB 3.08Å; E56-T58 PolarHBondContact OE1-N 3.08Å; E56-T58 PolarHBondContact OE1-OG1 2.79Å; E56-T58 WeakPolarHBondContact OE2-CB 3.45Å; E56-T58 PolarHBondContact OE2-N 3.5Å; E56-T58 VanDerWaalsContact OE2-N 3.08Å; E56-T58 PolarHBondContact OE2-OG1 3.43Å; T58-I60 PolarHBondContact O-N 3.02Å; T58-D61 PolarHBondContact O-N 2.78Å; T58-E62 WeakPolarHBondContact O-CG 3.5Å; T58-E62 PolarHBondContact O-N 2.82Å; T58-E62 VanDerWaalsContact O-N 3.1Å
59V93.8Very high95.3Very high71 Ų7173.4 Ų73.443%0.4338%0.38SS..Hα-helixtrans-67.9-37.9-176-179.80000112.1P57P57-V59 PolarHBondContact O-N 2.79Å
60I95.6Very high95.4Very high4 Ų471.2 Ų71.22%0.02138%0.376CS..Hα-helixtrans-74.1-34.8178.6-59.6-63.3000110.8F52 D54 P57 T58 E62 I63 R64 L77 T79F52-I60 HydrophobicContact CB-CD1 3.47Å; F52-I60 VanDerWaalsContact CB-CD1 3.47Å; F52-I60 HydrophobicContact CG-CD1 4.46Å; D54-I60 HydrophobicContact CB-CD1 4.19Å; D54-I60 HydrophobicContact CB-CG1 3.69Å; P57-I60 PolarHBondContact O-N 2.93Å; P57-I60 VanDerWaalsContact O-N 3.13Å; T58-I60 PolarHBondContact O-N 3.02Å; I60-E62 VanDerWaalsContact C-N 3.29Å; I60-E62 PolarHBondContact O-N 2.81Å; I60-I63 HydrophobicContact CD1-CD1 4.44Å; I60-I63 WeakPolarHBondContact O-CB 2.95Å; I60-I63 PolarHBondContact O-N 2.9Å; I60-R64 HydrophobicContact CG2-CG 4.32Å; I60-R64 WeakPolarHBondContact O-CG 3.49Å; I60-R64 PolarHBondContact O-N 2.8Å; I60-L77 HydrophobicContact CG2-CB 3.72Å; I60-T79 HydrophobicContact CB-CG2 3.3Å; I60-T79 HydrophobicContact CG1-CG2 3.51Å; I60-T79 HydrophobicContact CG2-CG2 3.54Å
61D95.1Very high95.4Very high60 Ų6070.5 Ų70.532%0.32137%0.37SS..Hα-helixtrans-67.1-30.6177.1-77.3-10.4000112P57 T58 I63 R64 N65P57-D61 WeakPolarHBondContact O-CB 3.47Å; P57-D61 PolarHBondContact O-N 3.36Å; T58-D61 PolarHBondContact O-N 2.78Å; D61-I63 VanDerWaalsContact C-N 3.28Å; D61-I63 PolarHBondContact O-N 3.42Å; D61-R64 PolarHBondContact O-N 2.84Å; D61-R64 WeakPolarHBondContact OD1-CD 3.4Å; D61-R64 IonicContact OD1-CZ 3.78Å; D61-R64 IonicContact OD1-NH1 2.84Å; D61-R64 PolarHBondContact OD1-NH1 3.25Å; D61-N65 WeakPolarHBondContact O-CB 3.44Å; D61-N65 PolarHBondContact O-N 3.23Å; D61-N65 PolarHBondContact O-ND2 2.63Å
62E95.4Very high95.4Very high132 Ų13266.3 Ų66.362%0.61734%0.344SS*.Hα-helixtrans-60-38.7168.2-72.2178.4178.400112T58 I60 G66T58-E62 WeakPolarHBondContact O-CG 3.5Å; T58-E62 PolarHBondContact O-N 2.82Å; T58-E62 VanDerWaalsContact O-N 3.1Å; I60-E62 VanDerWaalsContact C-N 3.29Å; I60-E62 PolarHBondContact O-N 2.81Å; E62-G66 VanDerWaalsContact O-CA 3.28Å; E62-G66 WeakPolarHBondContact O-CA 3.41Å; E62-G66 PolarHBondContact O-N 3.08Å
63I94.8Very high95.4Very high10 Ų1069.1 Ų69.15%0.05136%0.357CS..Hα-helixtrans-71.2-44.3176.8-57.5171.3000110.3N3 F52 I60 D61 N65 G66 R69 F72 L77N3-I63 HydrophobicContact CB-CG1 4.49Å; F52-I63 HydrophobicContact CD1-CD1 3.48Å; F52-I63 VanDerWaalsContact CD1-CD1 3.48Å; F52-I63 HydrophobicContact CE1-CD1 3.63Å; F52-I63 HydrophobicContact CG-CD1 4.03Å; F52-I63 HydrophobicContact CZ-CD1 4.29Å; I60-I63 HydrophobicContact CD1-CD1 4.44Å; I60-I63 WeakPolarHBondContact O-CB 2.95Å; I60-I63 PolarHBondContact O-N 2.9Å; D61-I63 VanDerWaalsContact C-N 3.28Å; D61-I63 PolarHBondContact O-N 3.42Å; I63-N65 PolarHBondContact O-N 3.18Å; I63-G66 PolarHBondContact O-N 3.1Å; I63-R69 WeakPolarHBondContact O-CA 3.26Å; I63-F72 HydrophobicContact CG2-CD2 3.72Å; I63-F72 HydrophobicContact CG2-CE2 3.78Å; I63-L77 HydrophobicContact CG2-CD1 4.2Å; I63-L77 HydrophobicContact CG2-CD2 4.19Å
64R95.6Very high95.3Very high87 Ų8769.1 Ų69.133%0.32836%0.359SS..Hα-helixtrans-63.6-26.2179-69.9174.5179.4157.1-0.3113.4I60 D61 R69 L77 T79I60-R64 HydrophobicContact CG2-CG 4.32Å; I60-R64 WeakPolarHBondContact O-CG 3.49Å; I60-R64 PolarHBondContact O-N 2.8Å; D61-R64 PolarHBondContact O-N 2.84Å; D61-R64 WeakPolarHBondContact OD1-CD 3.4Å; D61-R64 IonicContact OD1-CZ 3.78Å; D61-R64 IonicContact OD1-NH1 2.84Å; D61-R64 PolarHBondContact OD1-NH1 3.25Å; R64-R69 WeakPolarHBondContact O-CB 3.41Å; R64-L77 HydrophobicContact CG-CD1 3.6Å; R64-L77 PolarHBondContact NH2-O 2.92Å; R64-T79 PolarHBondContact NH2-OG1 3.13Å
65N95.8Very high95.2Very high128 Ų12874.1 Ų74.168%0.68438%0.381SS*.Hα-helixtrans-108.7-3.4-179.8-62.9-59.7000113.3D61 I63D61-N65 WeakPolarHBondContact O-CB 3.44Å; D61-N65 PolarHBondContact O-N 3.23Å; D61-N65 PolarHBondContact O-ND2 2.63Å; I63-N65 PolarHBondContact O-N 3.18Å
66G94.9Very high95.3Very high17 Ų1768.8 Ų68.818%0.17535%0.352CS..SBendtrans-80.6-177.8-176.100000114.5E62 I63 Y68 R69E62-G66 VanDerWaalsContact O-CA 3.28Å; E62-G66 WeakPolarHBondContact O-CA 3.41Å; E62-G66 PolarHBondContact O-N 3.08Å; I63-G66 PolarHBondContact O-N 3.1Å; G66-Y68 PolarHBondContact O-N 3.46Å; G66-R69 VanDerWaalsContact O-CB 3.25Å; G66-R69 WeakPolarHBondContact O-CB 3.45Å; G66-R69 VanDerWaalsContact O-CG 3.28Å; G66-R69 WeakPolarHBondContact O-CG 3.46Å; G66-R69 PolarHBondContact O-N 3.02Å; G66-R69 VanDerWaalsContact O-N 3.08Å
67P95Very high95.3Very high102 Ų10265.4 Ų65.466%0.66234%0.336SS*.THydrogen-bonded Turntrans-57.3-35.6-179.7-24.434.1000113.3P17P17-P67 WeakPolarHBondContact CB-O 3.37Å
68Y95.5Very high95.5Very high18 Ų1867.8 Ų67.87%0.07135%0.346CS..THydrogen-bonded Turntrans-94.218.6-179.4-69.1-86000113.5E7 C10 P17 G66 Q70 L71E7-Y68 HydrophobicContact CB-CE2 3.85Å; E7-Y68 HydrophobicContact CG-CE2 3.75Å; C10-Y68 HydrophobicContact CB-CE1 3.87Å; P17-Y68 HydrophobicContact CB-CD1 3.82Å; P17-Y68 HydrophobicContact CB-CE1 3.9Å; P17-Y68 HydrophobicContact CB-CG 4.32Å; P17-Y68 HydrophobicContact CG-CD1 4.45Å; P17-Y68 HydrophobicContact CG-CE1 4.02Å; G66-Y68 PolarHBondContact O-N 3.46Å; Y68-Q70 PolarHBondContact O-N 3.18Å; Y68-L71 HydrophobicContact CD1-CB 4.18Å; Y68-L71 HydrophobicContact CD1-CD2 3.7Å; Y68-L71 HydrophobicContact CD1-CG 4.42Å; Y68-L71 HydrophobicContact CE1-CD2 4.43Å; Y68-L71 HydrophobicContact CG-CD2 4.38Å; Y68-L71 VanDerWaalsContact O-CB 3.24Å; Y68-L71 WeakPolarHBondContact O-CB 3.48Å; Y68-L71 PolarHBondContact O-N 2.93Å
69R95.7Very high95.6Very high143 Ų14366.2 Ų66.254%0.5434%0.337SS..THydrogen-bonded Turntrans-54.9-24.317964.2-177.2-174.580.54.8114.6I63 R64 G66I63-R69 WeakPolarHBondContact O-CA 3.26Å; R64-R69 WeakPolarHBondContact O-CB 3.41Å; G66-R69 VanDerWaalsContact O-CB 3.25Å; G66-R69 WeakPolarHBondContact O-CB 3.45Å; G66-R69 VanDerWaalsContact O-CG 3.28Å; G66-R69 WeakPolarHBondContact O-CG 3.46Å; G66-R69 PolarHBondContact O-N 3.02Å; G66-R69 VanDerWaalsContact O-N 3.08Å
70Q96.1Very high95.4Very high96 Ų9664.2 Ų64.245%0.44933%0.33SS..THydrogen-bonded Turntrans-92-12.4178.8-69.1-17697.900112.5D18 K45 Y68D18-Q70 HydrophobicContact CB-CB 4.32Å; K45-Q70 WeakPolarHBondContact CE-O 3.46Å; K45-Q70 PolarHBondContact NZ-O 3.11Å; Y68-Q70 PolarHBondContact O-N 3.18Å
71L96.4Very high94.6Very high0 Ų076.3 Ų76.30%038%0.382CS..THydrogen-bonded Turntrans-70.9-46.5-175.2-175.667.1000111.7C10 I15 P17 P48 Y68C10-L71 VanDerWaalsContact SG-CD2 3.58Å; I15-L71 HydrophobicContact CG2-CD1 4.27Å; P17-L71 PolarHBondContact O-N 2.66Å; P48-L71 WeakPolarHBondContact CD-O 3.44Å; P48-L71 HydrophobicContact CG-CD1 4.16Å; P48-L71 HydrophobicContact CG-CD2 3.67Å; P48-L71 HydrophobicContact CG-CG 3.61Å; Y68-L71 HydrophobicContact CD1-CB 4.18Å; Y68-L71 HydrophobicContact CD1-CD2 3.7Å; Y68-L71 HydrophobicContact CD1-CG 4.42Å; Y68-L71 HydrophobicContact CE1-CD2 4.43Å; Y68-L71 HydrophobicContact CG-CD2 4.38Å; Y68-L71 VanDerWaalsContact O-CB 3.24Å; Y68-L71 WeakPolarHBondContact O-CB 3.48Å; Y68-L71 PolarHBondContact O-N 2.93Å
72F95.9Very high94.6Very high8 Ų877.1 Ų77.14%0.03539%0.386CS..SBendtrans-86.7151.5-174.4-55.6-76.8000112.7W6 P48 F52 I63 L77W6-F72 HydrophobicContact CB-CE1 4.45Å; W6-F72 HydrophobicContact CB-CZ 3.94Å; W6-F72 HydrophobicContact CD2-CE1 4.42Å; W6-F72 HydrophobicContact CG-CE1 4.04Å; W6-F72 AromaticContact CG-CZ 3.97Å; W6-F72 HydrophobicContact CG-CZ 3.97Å; P48-F72 HydrophobicContact CB-CD1 3.95Å; P48-F72 HydrophobicContact CB-CE1 3.75Å; P48-F72 HydrophobicContact CG-CD1 3.83Å; P48-F72 HydrophobicContact CG-CE1 3.57Å; P48-F72 HydrophobicContact CG-CZ 4.39Å; F52-F72 HydrophobicContact CD2-CD1 4.47Å; F52-F72 HydrophobicContact CD2-CE1 4.43Å; F52-F72 AromaticContact CE2-CD1 3.87Å; F52-F72 HydrophobicContact CE2-CD1 3.87Å; F52-F72 AromaticContact CE2-CE1 3.43Å; F52-F72 HydrophobicContact CE2-CE1 3.43Å; F52-F72 VanDerWaalsContact CE2-CE1 3.43Å; F52-F72 HydrophobicContact CE2-CE2 4.39Å; F52-F72 AromaticContact CE2-CZ 3.73Å; F52-F72 HydrophobicContact CE2-CZ 3.73Å; F52-F72 HydrophobicContact CZ-CE1 4.06Å; F52-F72 AromaticContact CZ-CZ 3.93Å; F52-F72 HydrophobicContact CZ-CZ 3.93Å; I63-F72 HydrophobicContact CG2-CD2 3.72Å; I63-F72 HydrophobicContact CG2-CE2 3.78Å; F72-L77 HydrophobicContact CB-CD1 4.31Å; F72-L77 HydrophobicContact CB-CD2 4.24Å; F72-L77 HydrophobicContact CB-CG 4.28Å; F72-L77 HydrophobicContact CG-CD2 4.36Å
73H95.4Very high94.5Very high87 Ų8774.2 Ų74.240%0.40337%0.373SS..  trans-73.8136.5166.7-163.8-97.8000109.3V47 E75 Q76V47-H73 HydrophobicContact CG1-CB 4.38Å; H73-E75 VanDerWaalsContact CE1-CD 3.49Å; H73-E75 IonicContact CE1-OE2 3.46Å; H73-E75 PolarHBondContact CE1-OE2 2.94Å; H73-E75 WeakPolarHBondContact ND1-CB 3.17Å; H73-E75 PolarHBondContact ND1-N 3.43Å; H73-E75 IonicContact ND1-OE2 3.68Å; H73-E75 PolarHBondContact O-N 3.27Å; H73-E75 VanDerWaalsContact O-N 3.11Å; H73-Q76 HydrophobicContact CB-CG 3.97Å; H73-Q76 VanDerWaalsContact O-CB 3.26Å; H73-Q76 WeakPolarHBondContact O-CB 3.31Å; H73-Q76 PolarHBondContact O-N 2.81Å
74P94.4Very high94.5Very high97 Ų9777.8 Ų77.863%0.6339%0.391SS*.G310 helixtrans-55.4-34.1-178.7-28.235.5000113.9Q76 L77P74-Q76 PolarHBondContact O-N 3.28Å; P74-L77 PolarHBondContact O-N 3.29Å; P74-L77 VanDerWaalsContact O-N 3.08Å
75E95.3Very high94.5Very high157 Ų15777.2 Ų77.273%0.73440%0.395SS*.G310 helixtrans-69.7-14177.6-58.7177.1169.800113.7H73 L77H73-E75 VanDerWaalsContact CE1-CD 3.49Å; H73-E75 IonicContact CE1-OE2 3.46Å; H73-E75 PolarHBondContact CE1-OE2 2.94Å; H73-E75 WeakPolarHBondContact ND1-CB 3.17Å; H73-E75 PolarHBondContact ND1-N 3.43Å; H73-E75 IonicContact ND1-OE2 3.68Å; H73-E75 PolarHBondContact O-N 3.27Å; H73-E75 VanDerWaalsContact O-N 3.11Å; E75-L77 VanDerWaalsContact C-N 3.29Å
76Q96.4Very high94.4Very high35 Ų3574.1 Ų74.116%0.16438%0.377CS..G310 helixtrans-83.1-7.6172.8-66.1171.8-32.900112.4P48 A50 V51 F52 H73 P74P48-Q76 PolarHBondContact O-NE2 3.11Å; P48-Q76 PolarHBondContact O-OE1 2.87Å; A50-Q76 VanDerWaalsContact O-CB 3.29Å; A50-Q76 WeakPolarHBondContact O-CB 3.45Å; A50-Q76 WeakPolarHBondContact O-CG 3.4Å; A50-Q76 PolarHBondContact O-NE2 3.48Å; V51-Q76 CarbonylContact C-O 3.59Å; V51-Q76 WeakPolarHBondContact CA-O 3.27Å; F52-Q76 PolarHBondContact N-O 3.03Å; H73-Q76 HydrophobicContact CB-CG 3.97Å; H73-Q76 VanDerWaalsContact O-CB 3.26Å; H73-Q76 WeakPolarHBondContact O-CB 3.31Å; H73-Q76 PolarHBondContact O-N 2.81Å; P74-Q76 PolarHBondContact O-N 3.28Å
77L96.8Very high94.3Very high11 Ų1177.9 Ų77.96%0.05839%0.39CS..EExtended strand (participates in β ladder)trans-112.189.5-176.7-59.4-175.1000109.5F52 I60 I63 R64 F72 P74 E75F52-L77 HydrophobicContact CB-CD2 3.82Å; F52-L77 HydrophobicContact CD2-CD2 3.63Å; F52-L77 HydrophobicContact CE2-CD2 4.48Å; F52-L77 HydrophobicContact CG-CD2 3.94Å; I60-L77 HydrophobicContact CG2-CB 3.72Å; I63-L77 HydrophobicContact CG2-CD1 4.2Å; I63-L77 HydrophobicContact CG2-CD2 4.19Å; R64-L77 HydrophobicContact CG-CD1 3.6Å; R64-L77 PolarHBondContact NH2-O 2.92Å; F72-L77 HydrophobicContact CB-CD1 4.31Å; F72-L77 HydrophobicContact CB-CD2 4.24Å; F72-L77 HydrophobicContact CB-CG 4.28Å; F72-L77 HydrophobicContact CG-CD2 4.36Å; P74-L77 PolarHBondContact O-N 3.29Å; P74-L77 VanDerWaalsContact O-N 3.08Å; E75-L77 VanDerWaalsContact C-N 3.29Å
78I97Very high94.3Very high84 Ų8476.1 Ų76.143%0.43137%0.371SS..EExtended strand (participates in β ladder)trans-101.4127.2-171.1-54.3174.6000109.7V51 F52 V53 D54V51-I78 HydrophobicContact CG1-CD1 3.86Å; V51-I78 HydrophobicContact CG1-CG1 4.42Å; F52-I78 PolarHBondContact O-N 2.79Å; V53-I78 WeakPolarHBondContact CA-O 3.46Å; V53-I78 HydrophobicContact CG1-CB 4.42Å; V53-I78 HydrophobicContact CG1-CG2 4.42Å; V53-I78 HydrophobicContact CG2-CB 4.3Å; V53-I78 HydrophobicContact CG2-CD1 4.29Å; D54-I78 PolarHBondContact N-O 2.87Å
79T96.4Very high94.2Very high44 Ų4480.6 Ų80.627%0.2739%0.394SS..EExtended strand (participates in β ladder)trans-123.9145.2179.550.30000111.5D54 P57 I60 R64D54-T79 CarbonylContact O-C 3.55Å; D54-T79 VanDerWaalsContact O-CA 3.24Å; D54-T79 WeakPolarHBondContact O-CA 3.45Å; P57-T79 HydrophobicContact CB-CG2 4.25Å; I60-T79 HydrophobicContact CB-CG2 3.3Å; I60-T79 HydrophobicContact CG1-CG2 3.51Å; I60-T79 HydrophobicContact CG2-CG2 3.54Å; R64-T79 PolarHBondContact NH2-OG1 3.13Å
80G90.8Very high94.1Very high28 Ų2875.4 Ų75.429%0.28938%0.382SS..  trans-70.4-172.516100000112.7D54 L55D54-G80 PolarHBondContact O-N 2.83Å; L55-G80 VanDerWaalsContact O-CA 3.27Å; L55-G80 WeakPolarHBondContact O-CA 3.37Å
81K77.9Confident93.9Very high258 Ų25873.5 Ų73.5100%1.12238%0.376SS*.  trans-96.10178.3-76.8-170.7178.5-179.10111.5

Retrieved 81 of 81 residues in 74.6 ms (Link to these results)

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