A0A087WSL5_MOUSE Loading...

Tubulin, alpha 4A

AlphaFold DB , UniProt , Accession A0A087WSL5, Species MOUSE (Mus musculus, Mouse), Gene Tuba4a, Length 89 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
1M79.3Confident89.6Confident199 Ų19974.1 Ų74.198%0.9841%0.405SS*.  0-59.30-65.4-57.1-85.300111.9N3 A4 C5M1-N3 PolarHBondContact O-N 3.12Å; M1-A4 PolarHBondContact O-N 2.81Å; M1-C5 PolarHBondContact O-N 2.9Å; M1-C5 PolarHBondContact O-SG 3.49Å; M1-C5 VanDerWaalsContact O-SG 3.4Å
2G84.2Confident89.8Confident32 Ų3277.9 Ų77.933%0.3342%0.418SS..Hα-helixtrans-54.2-44.5-178.200000114.9A4 C5 W6G2-A4 PolarHBondContact O-N 3.23Å; G2-C5 PolarHBondContact O-N 3.34Å; G2-W6 VanDerWaalsContact O-CD1 3.23Å; G2-W6 PolarHBondContact O-N 3.25Å; G2-W6 VanDerWaalsContact O-N 3.12Å
3N86.3Confident89.7Confident59 Ų5976.1 Ų76.132%0.31641%0.405SS..Hα-helixtrans-58.3-46.6178.8-170.946.9000112.9M1 C5 W6 E7M1-N3 PolarHBondContact O-N 3.12Å; N3-C5 VanDerWaalsContact C-N 3.34Å; N3-C5 PolarHBondContact O-N 3.11Å; N3-W6 PolarHBondContact O-N 3.2Å; N3-E7 PolarHBondContact O-N 3.12Å
4A89.2Confident89.7Confident59 Ų5973.4 Ų73.449%0.48841%0.405SS..Hα-helixtrans-65.5-3517900000112.6M1 G2 L8M1-A4 PolarHBondContact O-N 2.81Å; G2-A4 PolarHBondContact O-N 3.23Å; A4-L8 PolarHBondContact O-N 3.06Å
5C92Very high89.9Confident65 Ų6569.1 Ų69.144%0.43938%0.381SS..Hα-helixtrans-64.2-44.4175.2-64.50000111.6M1 G2 N3 L8 Y9M1-C5 PolarHBondContact O-N 2.9Å; M1-C5 PolarHBondContact O-SG 3.49Å; M1-C5 VanDerWaalsContact O-SG 3.4Å; G2-C5 PolarHBondContact O-N 3.34Å; N3-C5 VanDerWaalsContact C-N 3.34Å; N3-C5 PolarHBondContact O-N 3.11Å; C5-L8 PolarHBondContact O-N 3.3Å; C5-Y9 PolarHBondContact O-N 2.97Å
6W93.5Very high90.1Very high31 Ų3170.1 Ų70.112%0.11738%0.382CS..Hα-helixtrans-70.5-34.7179-76108.4000112.9G2 N3 L8 Y9 C10 F37 F38 P48 A50 F52 F72G2-W6 VanDerWaalsContact O-CD1 3.23Å; G2-W6 PolarHBondContact O-N 3.25Å; G2-W6 VanDerWaalsContact O-N 3.12Å; N3-W6 PolarHBondContact O-N 3.2Å; W6-L8 VanDerWaalsContact C-N 3.34Å; W6-Y9 HydrophobicContact CE3-CD2 4.11Å; W6-Y9 AromaticContact CZ3-CD2 4Å; W6-Y9 HydrophobicContact CZ3-CD2 4Å; W6-Y9 PolarHBondContact O-N 2.81Å; W6-C10 WeakPolarHBondContact O-CB 3.38Å; W6-C10 PolarHBondContact O-N 3.13Å; W6-C10 PolarHBondContact O-SG 3.22Å; W6-F37 HydrophobicContact CH2-CB 4.13Å; W6-F37 HydrophobicContact CZ3-CB 4.25Å; W6-F38 HydrophobicContact CE3-CE1 4.15Å; W6-F38 AromaticContact CE3-CZ 3.86Å; W6-F38 HydrophobicContact CE3-CZ 3.86Å; W6-F38 AromaticContact CZ3-CE1 3.95Å; W6-F38 HydrophobicContact CZ3-CE1 3.95Å; W6-F38 AromaticContact CZ3-CE2 3.99Å; W6-F38 HydrophobicContact CZ3-CE2 3.99Å; W6-F38 AromaticContact CZ3-CZ 3.64Å; W6-F38 HydrophobicContact CZ3-CZ 3.64Å; W6-P48 HydrophobicContact CD2-CB 3.92Å; W6-P48 HydrophobicContact CD2-CG 4.16Å; W6-P48 HydrophobicContact CE3-CB 3.71Å; W6-P48 HydrophobicContact CE3-CG 3.77Å; W6-P48 HydrophobicContact CH2-CB 3.75Å; W6-P48 HydrophobicContact CZ2-CB 3.97Å; W6-P48 HydrophobicContact CZ3-CB 3.61Å; W6-P48 HydrophobicContact CZ3-CG 4.03Å; W6-A50 HydrophobicContact CZ2-CB 3.59Å; W6-F52 AromaticContact CD1-CZ 3.72Å; W6-F72 HydrophobicContact CB-CE1 4.5Å; W6-F72 HydrophobicContact CB-CZ 3.99Å; W6-F72 HydrophobicContact CD2-CE1 4.48Å; W6-F72 HydrophobicContact CG-CE1 4.11Å; W6-F72 HydrophobicContact CG-CZ 4.05Å
7E93Very high90.4Very high84 Ų8469.2 Ų69.239%0.39338%0.38SS..Hα-helixtrans-58.6-46.8170.1170.7166.3-150.800111.3N3 C10 L11 Y68N3-E7 PolarHBondContact O-N 3.12Å; E7-C10 PolarHBondContact O-N 2.91Å; E7-L11 HydrophobicContact CG-CD1 4.38Å; E7-L11 WeakPolarHBondContact O-CG 3.35Å; E7-L11 PolarHBondContact O-N 2.93Å; E7-Y68 HydrophobicContact CB-CE2 3.76Å; E7-Y68 HydrophobicContact CG-CE2 3.74Å
8L93.1Very high90.6Very high89 Ų8968.4 Ų68.447%0.46638%0.375SS..Hα-helixtrans-63.8-44.5177.4-176.562.3000112A4 C5 W6 C10 L11 E12A4-L8 PolarHBondContact O-N 3.06Å; C5-L8 PolarHBondContact O-N 3.3Å; W6-L8 VanDerWaalsContact C-N 3.34Å; L8-C10 VanDerWaalsContact C-N 3.29Å; L8-C10 PolarHBondContact O-N 3.11Å; L8-L11 WeakPolarHBondContact O-CB 3.07Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-L11 VanDerWaalsContact O-N 3.11Å; L8-E12 HydrophobicContact CD1-CG 4.37Å; L8-E12 HydrophobicContact CG-CG 4.37Å; L8-E12 WeakPolarHBondContact O-CG 3.38Å; L8-E12 PolarHBondContact O-N 2.91Å
9Y91.1Very high90.7Very high78 Ų7864.8 Ų64.831%0.30636%0.356SS..Hα-helixtrans-60.6-38.6175.9-80.44.3000112.4C5 W6 L11 E12 H13 F37C5-Y9 PolarHBondContact O-N 2.97Å; W6-Y9 HydrophobicContact CE3-CD2 4.11Å; W6-Y9 AromaticContact CZ3-CD2 4Å; W6-Y9 HydrophobicContact CZ3-CD2 4Å; W6-Y9 PolarHBondContact O-N 2.81Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 2.86Å; Y9-E12 PolarHBondContact O-N 3.42Å; Y9-H13 WeakPolarHBondContact O-CB 3.36Å; Y9-H13 PolarHBondContact O-CD2 3.43Å; Y9-H13 PolarHBondContact O-N 3.3Å; Y9-F37 AromaticContact CE2-CD1 3.99Å; Y9-F37 HydrophobicContact CE2-CD1 3.99Å; Y9-F37 HydrophobicContact CE2-CE1 4.13Å; Y9-F37 HydrophobicContact CE2-CG 4.25Å
10C92.4Very high90.7Very high0 Ų065.2 Ų65.20%036%0.355CS..Hα-helixtrans-62-43.1174.3-69.50000111.3W6 E7 L8 H13 G14 I15 Y68 L71W6-C10 WeakPolarHBondContact O-CB 3.38Å; W6-C10 PolarHBondContact O-N 3.13Å; W6-C10 PolarHBondContact O-SG 3.22Å; E7-C10 PolarHBondContact O-N 2.91Å; L8-C10 VanDerWaalsContact C-N 3.29Å; L8-C10 PolarHBondContact O-N 3.11Å; C10-H13 PolarHBondContact O-N 2.81Å; C10-G14 CarbonylContact O-C 3.47Å; C10-G14 WeakPolarHBondContact O-CA 3.46Å; C10-G14 PolarHBondContact O-N 3.25Å; C10-I15 HydrophobicContact CB-CB 4.26Å; C10-I15 WeakPolarHBondContact CB-O 3.2Å; C10-I15 PolarHBondContact O-N 3.22Å; C10-Y68 HydrophobicContact CB-CE1 3.92Å; C10-L71 VanDerWaalsContact SG-CD2 3.56Å
11L91.9Very high90.7Very high119 Ų11963.4 Ų63.462%0.62334%0.344SS*.Hα-helixtrans-65.4-43.6177.3-69169.9000112.6E7 L8 Y9 H13 G14E7-L11 HydrophobicContact CG-CD1 4.38Å; E7-L11 WeakPolarHBondContact O-CG 3.35Å; E7-L11 PolarHBondContact O-N 2.93Å; L8-L11 WeakPolarHBondContact O-CB 3.07Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-L11 VanDerWaalsContact O-N 3.11Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 2.86Å; L11-H13 VanDerWaalsContact C-N 3.3Å; L11-H13 PolarHBondContact O-N 3.27Å; L11-G14 PolarHBondContact O-N 3.21Å
12E91.2Very high90.8Very high120 Ų12058.2 Ų58.256%0.56133%0.326SS*.Hα-helixtrans-63.3-36.5179.4-73.7176.6174.600112.3L8 Y9L8-E12 HydrophobicContact CD1-CG 4.37Å; L8-E12 HydrophobicContact CG-CG 4.37Å; L8-E12 WeakPolarHBondContact O-CG 3.38Å; L8-E12 PolarHBondContact O-N 2.91Å; Y9-E12 PolarHBondContact O-N 3.42Å
13H88.4Confident90.3Very high54 Ų5460.6 Ų60.625%0.2534%0.337CS..Hα-helixtrans-970.2-179-64.7-63.4000113.9Y9 C10 L11 I15 M21Y9-H13 WeakPolarHBondContact O-CB 3.36Å; Y9-H13 PolarHBondContact O-CD2 3.43Å; Y9-H13 PolarHBondContact O-N 3.3Å; C10-H13 PolarHBondContact O-N 2.81Å; L11-H13 VanDerWaalsContact C-N 3.3Å; L11-H13 PolarHBondContact O-N 3.27Å; H13-I15 HydrophobicContact CB-CD1 3.95Å; H13-I15 HydrophobicContact CB-CG1 4.05Å; H13-I15 PolarHBondContact O-N 3.32Å; H13-M21 WeakPolarHBondContact O-CE 3.5Å
14G90.3Very high89.5Confident39 Ų3958.9 Ų58.940%0.40233%0.328SS..THydrogen-bonded Turntrans66.725-17900000114.1C10 L11C10-G14 CarbonylContact O-C 3.47Å; C10-G14 WeakPolarHBondContact O-CA 3.46Å; C10-G14 PolarHBondContact O-N 3.25Å; L11-G14 PolarHBondContact O-N 3.21Å
15I92Very high88.4Confident8 Ų865.4 Ų65.44%0.04135%0.345CS..  trans-84.3128176.1-59.3169.2000108.3C10 H13 M21 F38 H46 L71C10-I15 HydrophobicContact CB-CB 4.26Å; C10-I15 WeakPolarHBondContact CB-O 3.2Å; C10-I15 PolarHBondContact O-N 3.22Å; H13-I15 HydrophobicContact CB-CD1 3.95Å; H13-I15 HydrophobicContact CB-CG1 4.05Å; H13-I15 PolarHBondContact O-N 3.32Å; I15-M21 HydrophobicContact CG1-CB 4.36Å; I15-M21 HydrophobicContact CG1-CG 4.41Å; I15-M21 HydrophobicContact CG1-SD 4Å; I15-F38 HydrophobicContact CD1-CD1 3.87Å; I15-F38 HydrophobicContact CD1-CD2 3.9Å; I15-F38 HydrophobicContact CD1-CE1 3.63Å; I15-F38 HydrophobicContact CD1-CE2 3.69Å; I15-F38 HydrophobicContact CD1-CG 4Å; I15-F38 HydrophobicContact CD1-CZ 3.55Å; I15-H46 HydrophobicContact CD1-CB 4.05Å; I15-H46 HydrophobicContact CG1-CB 4.47Å; I15-H46 HydrophobicContact CG2-CB 4.21Å; I15-L71 HydrophobicContact CG2-CD1 4.35Å
16Q94.1Very high87.1Confident86 Ų8665.6 Ų65.640%0.40235%0.345SS..  trans-75.9162.3178.1-66.3-172.71200111.5D18 G19 Q20Q16-D18 VanDerWaalsContact CB-OD1 3.26Å; Q16-D18 WeakPolarHBondContact CB-OD1 3.3Å; Q16-D18 PolarHBondContact O-N 3.48Å; Q16-G19 WeakPolarHBondContact O-CA 3.43Å; Q16-G19 PolarHBondContact O-N 3.37Å; Q16-Q20 WeakPolarHBondContact CB-O 3.47Å; Q16-Q20 WeakPolarHBondContact CG-O 3.31Å; Q16-Q20 PolarHBondContact N-O 2.63Å
17P94.8Very high85.6Confident54 Ų5469.7 Ų69.735%0.35137%0.368SS..THydrogen-bonded Turntrans-60.6-17.1-179.8-25.234.9000115.7P67 Y68P17-P67 WeakPolarHBondContact CB-O 3.48Å; P17-Y68 HydrophobicContact CB-CD1 3.82Å; P17-Y68 HydrophobicContact CB-CE1 3.89Å; P17-Y68 HydrophobicContact CB-CG 4.39Å; P17-Y68 HydrophobicContact CG-CD1 4.43Å; P17-Y68 HydrophobicContact CG-CE1 4Å
18D93.7Very high84Confident55 Ų5569 Ų6929%0.29438%0.384SS..THydrogen-bonded Turntrans-89.4-1.7173.267.6-7.6000113.7Q16 Q20 K45 Q70Q16-D18 VanDerWaalsContact CB-OD1 3.26Å; Q16-D18 WeakPolarHBondContact CB-OD1 3.3Å; Q16-D18 PolarHBondContact O-N 3.48Å; D18-Q20 VanDerWaalsContact OD1-CB 3.31Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.23Å; D18-Q20 WeakPolarHBondContact OD1-CG 3.38Å; D18-Q20 PolarHBondContact OD1-N 3.28Å; D18-Q20 WeakPolarHBondContact OD2-CG 3.44Å; D18-K45 VanDerWaalsContact O-CE 3.25Å; D18-K45 WeakPolarHBondContact O-CE 3.49Å; D18-K45 WeakPolarHBondContact O-CG 3.26Å; D18-Q70 HydrophobicContact CB-CB 4.44Å
19G92.4Very high82.5Confident0 Ų067 Ų670%038%0.384CS..SBendtrans87.24.4-177.400000114.3Q16 H46Q16-G19 WeakPolarHBondContact O-CA 3.43Å; Q16-G19 PolarHBondContact O-N 3.37Å; G19-H46 WeakPolarHBondContact O-CB 3.31Å; G19-H46 PolarHBondContact O-N 2.83Å
20Q91.9Very high80.9Confident73 Ų7365.5 Ų65.534%0.34139%0.392SS..  trans-79.7142.8177.5-66.7-66-25.900111.5Q16 D18Q16-Q20 WeakPolarHBondContact CB-O 3.47Å; Q16-Q20 WeakPolarHBondContact CG-O 3.31Å; Q16-Q20 PolarHBondContact N-O 2.63Å; D18-Q20 VanDerWaalsContact OD1-CB 3.31Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.23Å; D18-Q20 WeakPolarHBondContact OD1-CG 3.38Å; D18-Q20 PolarHBondContact OD1-N 3.28Å; D18-Q20 WeakPolarHBondContact OD2-CG 3.44Å
21M88.9Confident79.2Confident27 Ų2773.4 Ų73.413%0.13343%0.434CS..  trans-127.286.8177-173.1172.2168.500109.4H13 I15 S23 D24 F34H13-M21 WeakPolarHBondContact O-CE 3.5Å; I15-M21 HydrophobicContact CG1-CB 4.36Å; I15-M21 HydrophobicContact CG1-CG 4.41Å; I15-M21 HydrophobicContact CG1-SD 4Å; M21-S23 PolarHBondContact O-N 3.01Å; M21-S23 VanDerWaalsContact O-N 3.08Å; M21-D24 HydrophobicContact CB-CB 4.07Å; M21-D24 HydrophobicContact CE-CB 4.32Å; M21-D24 HydrophobicContact CG-CB 3.82Å; M21-D24 WeakPolarHBondContact O-CB 3.4Å; M21-D24 PolarHBondContact O-N 3.37Å; M21-D24 HydrophobicContact SD-CB 3.99Å; M21-F34 HydrophobicContact CE-CE1 4.3Å; M21-F34 HydrophobicContact CE-CZ 4.34Å; M21-F34 HydrophobicContact SD-CE2 4.39Å; M21-F34 HydrophobicContact SD-CZ 4.16Å
22P81.5Confident78.2Confident91 Ų9171.2 Ų71.259%0.59142%0.424SS*.THydrogen-bonded Turntrans-62.5-21.2-173.1-21.530.8000114.8D24P22-D24 VanDerWaalsContact C-N 3.33Å
23S75.4Confident77.4Confident82 Ų8270.3 Ų70.357%0.57343%0.431SS*.THydrogen-bonded Turntrans-76.2-22.6175.848.70000113M21 K25M21-S23 PolarHBondContact O-N 3.01Å; M21-S23 VanDerWaalsContact O-N 3.08Å; S23-K25 PolarHBondContact O-N 2.93Å
24D68.6Low76.9Confident23 Ų2368.5 Ų68.512%0.12342%0.422CS..  trans-78.2117177.5-172.21.3000109.7M21 P22 T26 H46M21-D24 HydrophobicContact CB-CB 4.07Å; M21-D24 HydrophobicContact CE-CB 4.32Å; M21-D24 HydrophobicContact CG-CB 3.82Å; M21-D24 WeakPolarHBondContact O-CB 3.4Å; M21-D24 PolarHBondContact O-N 3.37Å; M21-D24 HydrophobicContact SD-CB 3.99Å; P22-D24 VanDerWaalsContact C-N 3.33Å; D24-T26 WeakPolarHBondContact OD1-CA 3.14Å; D24-T26 PolarHBondContact OD1-N 3.44Å; D24-T26 PolarHBondContact OD1-OG1 2.95Å; D24-H46 IonicContact OD2-CE1 3.5Å; D24-H46 IonicContact OD2-NE2 3.53Å
25K65.3Low76.4Confident195 Ų19569 Ų6985%0.84842%0.417SS*.  trans-103.71.7178.3-65-177-178.6176.10111.9S23S23-K25 PolarHBondContact O-N 2.93Å
26T64.6Low76.1Confident69 Ų6973.3 Ų73.342%0.42344%0.444SS..  trans-108.546.4-171.9310000111.4D24 G28 G29D24-T26 WeakPolarHBondContact OD1-CA 3.14Å; D24-T26 PolarHBondContact OD1-N 3.44Å; D24-T26 PolarHBondContact OD1-OG1 2.95Å; T26-G28 PolarHBondContact O-N 2.88Å; T26-G29 PolarHBondContact O-N 2.8Å
27I63.7Low76Confident118 Ų11873.3 Ų73.361%0.60544%0.443SS*.THydrogen-bonded Turntrans-52114.6174.4-60.8174.2000109.2E40I27-E40 VanDerWaalsContact CA-OE1 3.3Å; I27-E40 WeakPolarHBondContact CA-OE1 3.25Å; I27-E40 WeakPolarHBondContact CG2-OE1 3Å
28G57.8Low75.8Confident70 Ų7070.9 Ų70.972%0.72243%0.427SS*.THydrogen-bonded Turntrans76.914.2-179.200000116.1T26 E40T26-G28 PolarHBondContact O-N 2.88Å; G28-E40 PolarHBondContact N-OE1 3.3Å; G28-E40 PolarHBondContact N-OE2 3.28Å
29G62.4Low75.7Confident47 Ų4770.4 Ų70.449%0.48543%0.427SS..  trans-129.258.9177.900000112T26T26-G29 PolarHBondContact O-N 2.8Å
30G56.5Low75.5Confident46 Ų4673.3 Ų73.347%0.47444%0.441SS..  trans-97.9105.2-171.600000113.9
31D58.8Low75.2Confident165 Ų16571.8 Ų71.888%0.88244%0.437SS*.  trans-11721.7156.8-147.418.2000110.9
32D69.4Low74.9Confident74 Ų7474.7 Ų74.740%0.39647%0.474SS..SBendtrans-79144.8175.8-75.2-24.5000111.4F34 T35D32-F34 HydrophobicContact CB-CD1 3.63Å; D32-F34 HydrophobicContact CB-CE1 3.23Å; D32-F34 HydrophobicContact CB-CG 4.48Å; D32-F34 HydrophobicContact CB-CZ 3.8Å; D32-F34 PolarHBondContact O-N 3.44Å; D32-F34 WeakPolarHBondContact OD2-CE1 3.49Å; D32-T35 WeakPolarHBondContact O-CB 3.4Å; D32-T35 WeakPolarHBondContact O-CG2 3.43Å; D32-T35 PolarHBondContact O-N 2.76Å; D32-T35 VanDerWaalsContact O-N 3.14Å; D32-T35 PolarHBondContact O-OG1 3.46Å
33S75.1Confident75.1Confident101 Ų10174 Ų7471%0.70648%0.475SS*.G310 helixtrans-60.8-22.2-172.556.60000114.8T36S33-T36 WeakPolarHBondContact O-CB 3.4Å; S33-T36 PolarHBondContact O-OG1 3.04Å
34F76.7Confident75.6Confident16 Ų1670.4 Ų70.47%0.0745%0.451CS..G310 helixtrans-78.5-15.4-179.263.7-99.3000114M21 D32 T36 F37 F38 H46M21-F34 HydrophobicContact CE-CE1 4.3Å; M21-F34 HydrophobicContact CE-CZ 4.34Å; M21-F34 HydrophobicContact SD-CE2 4.39Å; M21-F34 HydrophobicContact SD-CZ 4.16Å; D32-F34 HydrophobicContact CB-CD1 3.63Å; D32-F34 HydrophobicContact CB-CE1 3.23Å; D32-F34 HydrophobicContact CB-CG 4.48Å; D32-F34 HydrophobicContact CB-CZ 3.8Å; D32-F34 PolarHBondContact O-N 3.44Å; D32-F34 WeakPolarHBondContact OD2-CE1 3.49Å; F34-T36 PolarHBondContact O-N 3.49Å; F34-T36 VanDerWaalsContact O-N 3.09Å; F34-F37 PolarHBondContact O-N 3.38Å; F34-F38 PolarHBondContact O-N 3.29Å; F34-F38 VanDerWaalsContact O-N 3.15Å; F34-H46 AromaticContact CE2-CD2 3.81Å; F34-H46 AromaticContact CE2-NE2 3.64Å
35T81.1Confident76.7Confident49 Ų4971.6 Ų71.630%0.30146%0.455SS..G310 helixtrans-61.3-17.6173.460.50000112.9D32 F37 F38 R49D32-T35 WeakPolarHBondContact O-CB 3.4Å; D32-T35 WeakPolarHBondContact O-CG2 3.43Å; D32-T35 PolarHBondContact O-N 2.76Å; D32-T35 VanDerWaalsContact O-N 3.14Å; D32-T35 PolarHBondContact O-OG1 3.46Å; T35-F37 PolarHBondContact O-N 3.38Å; T35-F38 CarbonylContact C-O 3.57Å; T35-R49 PolarHBondContact O-NE 2.57Å
36T86.3Confident78Confident98 Ų9862.5 Ų62.560%0.60142%0.416SS*.G310 helixtrans-57.5-36.8168.8-48.80000112.3S33 F34 R49S33-T36 WeakPolarHBondContact O-CB 3.4Å; S33-T36 PolarHBondContact O-OG1 3.04Å; F34-T36 PolarHBondContact O-N 3.49Å; F34-T36 VanDerWaalsContact O-N 3.09Å; T36-R49 WeakPolarHBondContact O-CD 3.43Å
37F90.8Very high79.4Confident87 Ų8759.3 Ų59.338%0.38240%0.396SS..THydrogen-bonded Turntrans-104.8-22.1-175.4-65.4-77.3000113.4W6 Y9 F34 T35 R49W6-F37 HydrophobicContact CH2-CB 4.13Å; W6-F37 HydrophobicContact CZ3-CB 4.25Å; Y9-F37 AromaticContact CE2-CD1 3.99Å; Y9-F37 HydrophobicContact CE2-CD1 3.99Å; Y9-F37 HydrophobicContact CE2-CE1 4.13Å; Y9-F37 HydrophobicContact CE2-CG 4.25Å; F34-F37 PolarHBondContact O-N 3.38Å; T35-F37 PolarHBondContact O-N 3.38Å; F37-R49 WeakPolarHBondContact O-CB 3.43Å; F37-R49 PolarHBondContact O-N 3.21Å
38F91.3Very high80.9Confident2 Ų253.7 Ų53.71%0.00937%0.367CS..EExtended strand (participates in β ladder)trans-120.1144.3-178.1-64.3-93.5000112.3W6 I15 F34 T35 H46 V47 P48 R49W6-F38 HydrophobicContact CE3-CE1 4.15Å; W6-F38 AromaticContact CE3-CZ 3.86Å; W6-F38 HydrophobicContact CE3-CZ 3.86Å; W6-F38 AromaticContact CZ3-CE1 3.95Å; W6-F38 HydrophobicContact CZ3-CE1 3.95Å; W6-F38 AromaticContact CZ3-CE2 3.99Å; W6-F38 HydrophobicContact CZ3-CE2 3.99Å; W6-F38 AromaticContact CZ3-CZ 3.64Å; W6-F38 HydrophobicContact CZ3-CZ 3.64Å; I15-F38 HydrophobicContact CD1-CD1 3.87Å; I15-F38 HydrophobicContact CD1-CD2 3.9Å; I15-F38 HydrophobicContact CD1-CE1 3.63Å; I15-F38 HydrophobicContact CD1-CE2 3.69Å; I15-F38 HydrophobicContact CD1-CG 4Å; I15-F38 HydrophobicContact CD1-CZ 3.55Å; F34-F38 PolarHBondContact O-N 3.29Å; F34-F38 VanDerWaalsContact O-N 3.15Å; T35-F38 CarbonylContact C-O 3.57Å; F38-H46 HydrophobicContact CB-CB 4.28Å; F38-H46 HydrophobicContact CD1-CB 4.09Å; F38-H46 HydrophobicContact CG-CB 4.42Å; F38-V47 CarbonylContact C-O 3.57Å; F38-V47 WeakPolarHBondContact CA-O 3.04Å; F38-P48 HydrophobicContact CD1-CG 4.15Å; F38-P48 HydrophobicContact CE1-CG 3.8Å; F38-R49 PolarHBondContact O-NE 2.94Å; F38-R49 PolarHBondContact O-NH2 3.03Å
39C90.5Very high82.6Confident45 Ų4557.3 Ų57.330%0.30436%0.359SS..EExtended strand (participates in β ladder)trans-94.3128.6162.8-67.10000108.9H46 V47 R49C39-H46 CarbonylContact O-C 2.95Å; C39-H46 WeakPolarHBondContact O-CA 3.34Å; C39-V47 PolarHBondContact N-O 3.25Å; C39-V47 PolarHBondContact O-N 2.88Å; C39-R49 VanDerWaalsContact SG-CG 3.58Å; C39-R49 PolarHBondContact SG-NH1 2.83Å; C39-R49 PolarHBondContact SG-NH2 2.88Å
40E88.5Confident84.1Confident61 Ų6155.7 Ų55.729%0.28534%0.341SS..EExtended strand (participates in β ladder)trans-85.3131.2167-158.8-163.116200109.8I27 G28 K45I27-E40 VanDerWaalsContact CA-OE1 3.3Å; I27-E40 WeakPolarHBondContact CA-OE1 3.25Å; I27-E40 WeakPolarHBondContact CG2-OE1 3Å; G28-E40 PolarHBondContact N-OE1 3.3Å; G28-E40 PolarHBondContact N-OE2 3.28Å; E40-K45 CarbonylContact C-O 3.54Å; E40-K45 WeakPolarHBondContact CA-O 3.4Å
41T86.9Confident86Confident42 Ų4258.1 Ų58.126%0.25835%0.347SS..PPolyproline II helixtrans-86.8160.9168.969.40000110A43 G44 K45 V47T41-A43 PolarHBondContact O-N 2.86Å; T41-A43 PolarHBondContact OG1-N 3.01Å; T41-G44 PolarHBondContact O-N 3.06Å; T41-K45 HydrophobicContact CG2-CB 4.34Å; T41-K45 PolarHBondContact N-O 2.78Å; T41-K45 VanDerWaalsContact OG1-CB 3.31Å; T41-K45 WeakPolarHBondContact OG1-CB 3.49Å; T41-K45 PolarHBondContact OG1-N 3.34Å; T41-K45 PolarHBondContact OG1-O 3.48Å; T41-V47 HydrophobicContact CG2-CG2 4.05Å
42G82.1Confident87.7Confident88 Ų8851.7 Ų51.791%0.90731%0.311SS*.THydrogen-bonded Turntrans-61-7.817500000115.4
43A85.9Confident88.9Confident76 Ų7652.9 Ų52.963%0.62832%0.32SS*.THydrogen-bonded Turntrans-96.51217400000113.3T41 K45T41-A43 PolarHBondContact O-N 2.86Å; T41-A43 PolarHBondContact OG1-N 3.01Å; A43-K45 PolarHBondContact O-N 2.8Å
44G85.8Confident89.8Confident6 Ų650 Ų506%0.06230%0.298CS..SBendtrans74.96.8-178.400000114.5T41 H46T41-G44 PolarHBondContact O-N 3.06Å; G44-H46 PolarHBondContact O-ND1 3Å
45K91.1Very high90.6Very high48 Ų4853.4 Ų53.421%0.20932%0.316CS..  trans-80.7127.3178.2-175.4-173.1178.3-168.60110.4D18 E40 T41 A43 V47 Q70D18-K45 VanDerWaalsContact O-CE 3.25Å; D18-K45 WeakPolarHBondContact O-CE 3.49Å; D18-K45 WeakPolarHBondContact O-CG 3.26Å; E40-K45 CarbonylContact C-O 3.54Å; E40-K45 WeakPolarHBondContact CA-O 3.4Å; T41-K45 HydrophobicContact CG2-CB 4.34Å; T41-K45 PolarHBondContact N-O 2.78Å; T41-K45 VanDerWaalsContact OG1-CB 3.31Å; T41-K45 WeakPolarHBondContact OG1-CB 3.49Å; T41-K45 PolarHBondContact OG1-N 3.34Å; T41-K45 PolarHBondContact OG1-O 3.48Å; A43-K45 PolarHBondContact O-N 2.8Å; K45-V47 HydrophobicContact CD-CG2 4.01Å; K45-V47 HydrophobicContact CG-CG2 4.08Å; K45-Q70 WeakPolarHBondContact CE-O 3.12Å; K45-Q70 PolarHBondContact NZ-O 3.15Å
46H92.2Very high91.1Very high5 Ų553.1 Ų53.12%0.02331%0.311CS..EExtended strand (participates in β ladder)trans-91.3115173.5-6678.4000110I15 G19 D24 F34 F38 C39 G44I15-H46 HydrophobicContact CD1-CB 4.05Å; I15-H46 HydrophobicContact CG1-CB 4.47Å; I15-H46 HydrophobicContact CG2-CB 4.21Å; G19-H46 WeakPolarHBondContact O-CB 3.31Å; G19-H46 PolarHBondContact O-N 2.83Å; D24-H46 IonicContact OD2-CE1 3.5Å; D24-H46 IonicContact OD2-NE2 3.53Å; F34-H46 AromaticContact CE2-CD2 3.81Å; F34-H46 AromaticContact CE2-NE2 3.64Å; F38-H46 HydrophobicContact CB-CB 4.28Å; F38-H46 HydrophobicContact CD1-CB 4.09Å; F38-H46 HydrophobicContact CG-CB 4.42Å; C39-H46 CarbonylContact O-C 2.95Å; C39-H46 WeakPolarHBondContact O-CA 3.34Å; G44-H46 PolarHBondContact O-ND1 3Å
47V94.2Very high91.4Very high1 Ų150.7 Ų50.71%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-111.9127-178.4-177.90000110F38 C39 T41 K45 R49 L71 H73F38-V47 CarbonylContact C-O 3.57Å; F38-V47 WeakPolarHBondContact CA-O 3.04Å; C39-V47 PolarHBondContact N-O 3.25Å; C39-V47 PolarHBondContact O-N 2.88Å; T41-V47 HydrophobicContact CG2-CG2 4.05Å; K45-V47 HydrophobicContact CD-CG2 4.01Å; K45-V47 HydrophobicContact CG-CG2 4.08Å; V47-R49 PolarHBondContact O-N 2.78Å; V47-L71 WeakPolarHBondContact CG1-O 3.26Å; V47-H73 WeakPolarHBondContact CG1-CD2 3.49Å
48P95.4Very high91.5Very high0 Ų050.5 Ų50.50%030%0.303CS..EExtended strand (participates in β ladder)trans-54136.5175.9-31.638.7000113.5W6 F38 A50 L71 F72 Q76W6-P48 HydrophobicContact CD2-CB 3.92Å; W6-P48 HydrophobicContact CD2-CG 4.16Å; W6-P48 HydrophobicContact CE3-CB 3.71Å; W6-P48 HydrophobicContact CE3-CG 3.77Å; W6-P48 HydrophobicContact CH2-CB 3.75Å; W6-P48 HydrophobicContact CZ2-CB 3.97Å; W6-P48 HydrophobicContact CZ3-CB 3.61Å; W6-P48 HydrophobicContact CZ3-CG 4.03Å; F38-P48 HydrophobicContact CD1-CG 4.15Å; F38-P48 HydrophobicContact CE1-CG 3.8Å; P48-A50 HydrophobicContact CB-CB 4.11Å; P48-A50 PolarHBondContact O-N 3.08Å; P48-L71 WeakPolarHBondContact CD-O 3.41Å; P48-L71 HydrophobicContact CG-CD1 4.22Å; P48-L71 HydrophobicContact CG-CD2 3.67Å; P48-L71 HydrophobicContact CG-CG 3.65Å; P48-F72 HydrophobicContact CB-CD1 3.96Å; P48-F72 HydrophobicContact CB-CE1 3.73Å; P48-F72 HydrophobicContact CG-CD1 3.89Å; P48-F72 HydrophobicContact CG-CE1 3.58Å; P48-F72 HydrophobicContact CG-CZ 4.35Å; P48-Q76 PolarHBondContact O-NE2 3.49Å
49R94.4Very high91.5Very high146 Ų14653.8 Ų53.855%0.55132%0.323SS*.SBendtrans-80.265.3166-63.3175.9-172.8-83.6-2.1109.3T35 T36 F37 F38 C39 V47T35-R49 PolarHBondContact O-NE 2.57Å; T36-R49 WeakPolarHBondContact O-CD 3.43Å; F37-R49 WeakPolarHBondContact O-CB 3.43Å; F37-R49 PolarHBondContact O-N 3.21Å; F38-R49 PolarHBondContact O-NE 2.94Å; F38-R49 PolarHBondContact O-NH2 3.03Å; C39-R49 VanDerWaalsContact SG-CG 3.58Å; C39-R49 PolarHBondContact SG-NH1 2.83Å; C39-R49 PolarHBondContact SG-NH2 2.88Å; V47-R49 PolarHBondContact O-N 2.78Å
50A94Very high91.7Very high13 Ų1351.8 Ų51.811%0.10731%0.309CS..  trans-130.9154.5-176.300000111.6W6 P48 F52 Q76W6-A50 HydrophobicContact CZ2-CB 3.59Å; P48-A50 HydrophobicContact CB-CB 4.11Å; P48-A50 PolarHBondContact O-N 3.08Å; A50-F52 HydrophobicContact CB-CE2 4.13Å; A50-Q76 WeakPolarHBondContact O-CB 3.37Å; A50-Q76 WeakPolarHBondContact O-CG 3.08Å; A50-Q76 PolarHBondContact O-NE2 3.05Å
51V95.1Very high92Very high98 Ų9851.7 Ų51.759%0.59431%0.311SS*.  trans-130.2130.5167.7-177.10000107.8V53 I78V51-V53 HydrophobicContact CG1-CG2 3.76Å; V51-I78 HydrophobicContact CG1-CD1 4.02Å
52F94.3Very high92.3Very high29 Ų2956 Ų5613%0.12733%0.328CS..EExtended strand (participates in β ladder)trans-107.5129171.4-66.1-102.4000108.5W6 A50 I60 I63 F72 Q76 L77 I78W6-F52 AromaticContact CD1-CZ 3.72Å; A50-F52 HydrophobicContact CB-CE2 4.13Å; F52-I60 HydrophobicContact CB-CD1 3.45Å; F52-I60 VanDerWaalsContact CB-CD1 3.45Å; F52-I60 HydrophobicContact CG-CD1 4.43Å; F52-I63 HydrophobicContact CD1-CD1 3.52Å; F52-I63 HydrophobicContact CE1-CD1 3.63Å; F52-I63 HydrophobicContact CG-CD1 4.02Å; F52-I63 HydrophobicContact CZ-CD1 4.22Å; F52-F72 HydrophobicContact CD2-CE1 4.5Å; F52-F72 AromaticContact CE2-CD1 3.89Å; F52-F72 HydrophobicContact CE2-CD1 3.89Å; F52-F72 AromaticContact CE2-CE1 3.48Å; F52-F72 HydrophobicContact CE2-CE1 3.48Å; F52-F72 VanDerWaalsContact CE2-CE1 3.48Å; F52-F72 HydrophobicContact CE2-CE2 4.49Å; F52-F72 AromaticContact CE2-CZ 3.82Å; F52-F72 HydrophobicContact CE2-CZ 3.82Å; F52-F72 HydrophobicContact CZ-CE1 4.09Å; F52-F72 HydrophobicContact CZ-CZ 4.02Å; F52-Q76 PolarHBondContact N-O 3.37Å; F52-L77 HydrophobicContact CB-CD2 3.84Å; F52-L77 HydrophobicContact CD2-CD2 3.64Å; F52-L77 HydrophobicContact CE2-CD2 4.48Å; F52-L77 HydrophobicContact CG-CD2 3.97Å; F52-I78 PolarHBondContact O-N 3.44Å
53V94.4Very high92.9Very high99 Ų9952.3 Ų52.360%0.629%0.287SS*.EExtended strand (participates in β ladder)trans-130.4126.2-179.5-172.30000107.7V51 I78V51-V53 HydrophobicContact CG1-CG2 3.76Å; V53-I78 WeakPolarHBondContact CA-O 3.44Å; V53-I78 HydrophobicContact CG1-CB 4.47Å; V53-I78 HydrophobicContact CG1-CG2 4.47Å; V53-I78 HydrophobicContact CG2-CB 4.36Å; V53-I78 HydrophobicContact CG2-CD1 4.35Å
54D94.4Very high93.3Very high42 Ų4252.5 Ų52.523%0.22527%0.272CS..EExtended strand (participates in β ladder)trans-137.2150171.2-153.3-39.9000109.5E56 V59 I60 I78 T79 G80D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 WeakPolarHBondContact CB-O 3.38Å; D54-E56 PolarHBondContact OD1-N 3.27Å; D54-V59 WeakPolarHBondContact OD2-CB 3.46Å; D54-I60 HydrophobicContact CB-CD1 4.18Å; D54-I60 HydrophobicContact CB-CG1 3.64Å; D54-I78 PolarHBondContact N-O 2.87Å; D54-T79 CarbonylContact O-C 3.43Å; D54-T79 VanDerWaalsContact O-CA 3.23Å; D54-T79 WeakPolarHBondContact O-CA 3.44Å; D54-G80 PolarHBondContact O-N 3.23Å
55L93.3Very high93.7Very high86 Ų8658.3 Ų58.345%0.4530%0.302SS..SBendtrans-83.1-15.1177.6-64.5-179000111.9G80 K81 E82 A84L55-G80 CarbonylContact O-C 3.55Å; L55-G80 WeakPolarHBondContact O-CA 3.48Å; L55-G80 PolarHBondContact O-N 2.84Å; L55-K81 PolarHBondContact O-N 3.49Å; L55-E82 WeakPolarHBondContact CB-O 3.47Å; L55-E82 CarbonylContact O-C 3.59Å; L55-E82 PolarHBondContact O-N 3.38Å; L55-E82 VanDerWaalsContact O-O 3.09Å; L55-A84 HydrophobicContact CD1-CB 3.73Å
56E92.9Very high93.8Very high43 Ų4356.9 Ų56.920%0.20130%0.3CS..SBendtrans-127.7154.217575.179.2-155.300111D54 T58 V59 D83D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 WeakPolarHBondContact CB-O 3.38Å; D54-E56 PolarHBondContact OD1-N 3.27Å; E56-T58 VanDerWaalsContact CD-N 3.27Å; E56-T58 WeakPolarHBondContact OE1-CB 3.3Å; E56-T58 PolarHBondContact OE1-N 3.28Å; E56-T58 PolarHBondContact OE1-OG1 2.88Å; E56-T58 WeakPolarHBondContact OE2-CA 3.47Å; E56-T58 WeakPolarHBondContact OE2-CB 3.49Å; E56-T58 PolarHBondContact OE2-N 2.75Å; E56-T58 PolarHBondContact OE2-OG1 3.14Å; E56-V59 PolarHBondContact OE1-N 3.15Å; E56-D83 HydrophobicContact CB-CB 4.16Å; E56-D83 HydrophobicContact CG-CB 4.33Å
57P91.8Very high93.9Very high48 Ų4861.7 Ų61.731%0.31233%0.332SS..SBendtrans-79.3-20.1-168.330.4-35.6000115.4V59 I60 D61 T79P57-V59 PolarHBondContact O-N 3.09Å; P57-I60 PolarHBondContact O-N 3.06Å; P57-D61 VanDerWaalsContact O-CB 3.26Å; P57-D61 WeakPolarHBondContact O-CB 3.44Å; P57-D61 VanDerWaalsContact O-CG 3.27Å; P57-D61 PolarHBondContact O-N 2.87Å; P57-T79 HydrophobicContact CB-CG2 4.36Å
58T92.9Very high93.9Very high83 Ų8362.4 Ų62.451%0.50934%0.335SS..Hα-helixtrans-57.5-52.8-165.3-49.10000112E56 I60 D61 E62E56-T58 VanDerWaalsContact CD-N 3.27Å; E56-T58 WeakPolarHBondContact OE1-CB 3.3Å; E56-T58 PolarHBondContact OE1-N 3.28Å; E56-T58 PolarHBondContact OE1-OG1 2.88Å; E56-T58 WeakPolarHBondContact OE2-CA 3.47Å; E56-T58 WeakPolarHBondContact OE2-CB 3.49Å; E56-T58 PolarHBondContact OE2-N 2.75Å; E56-T58 PolarHBondContact OE2-OG1 3.14Å; T58-I60 PolarHBondContact O-N 2.86Å; T58-D61 PolarHBondContact O-N 3.44Å; T58-E62 PolarHBondContact O-N 2.92Å; T58-E62 VanDerWaalsContact O-N 3.15Å
59V92.2Very high93.9Very high70 Ų7069.2 Ų69.242%0.42436%0.36SS..Hα-helixtrans-65.9-38.7-177.2179.70000112.1D54 E56 P57D54-V59 WeakPolarHBondContact OD2-CB 3.46Å; E56-V59 PolarHBondContact OE1-N 3.15Å; P57-V59 PolarHBondContact O-N 3.09Å
60I93.9Very high93.9Very high4 Ų466.8 Ų66.82%0.02136%0.355CS..Hα-helixtrans-73.3-34.5179.1-59.9-63.2000111.1F52 D54 P57 T58 E62 I63 R64 L77 T79F52-I60 HydrophobicContact CB-CD1 3.45Å; F52-I60 VanDerWaalsContact CB-CD1 3.45Å; F52-I60 HydrophobicContact CG-CD1 4.43Å; D54-I60 HydrophobicContact CB-CD1 4.18Å; D54-I60 HydrophobicContact CB-CG1 3.64Å; P57-I60 PolarHBondContact O-N 3.06Å; T58-I60 PolarHBondContact O-N 2.86Å; I60-E62 VanDerWaalsContact C-N 3.28Å; I60-E62 PolarHBondContact O-N 2.92Å; I60-I63 HydrophobicContact CD1-CD1 4.45Å; I60-I63 WeakPolarHBondContact O-CA 3.47Å; I60-I63 WeakPolarHBondContact O-CB 3.31Å; I60-I63 PolarHBondContact O-N 2.64Å; I60-R64 HydrophobicContact CG2-CG 4.3Å; I60-R64 WeakPolarHBondContact O-CG 3.41Å; I60-R64 PolarHBondContact O-N 3.43Å; I60-L77 HydrophobicContact CG2-CB 3.71Å; I60-T79 HydrophobicContact CB-CG2 3.32Å; I60-T79 HydrophobicContact CG1-CG2 3.48Å; I60-T79 VanDerWaalsContact CG1-CG2 3.48Å; I60-T79 HydrophobicContact CG2-CG2 3.57Å
61D93.9Very high94Very high58 Ų5866.1 Ų66.131%0.3135%0.35SS..Hα-helixtrans-67.7-28.9177.4-78.3-8.1000112P57 T58 I63 R64 N65P57-D61 VanDerWaalsContact O-CB 3.26Å; P57-D61 WeakPolarHBondContact O-CB 3.44Å; P57-D61 VanDerWaalsContact O-CG 3.27Å; P57-D61 PolarHBondContact O-N 2.87Å; T58-D61 PolarHBondContact O-N 3.44Å; D61-I63 VanDerWaalsContact C-N 3.27Å; D61-I63 PolarHBondContact O-N 2.95Å; D61-R64 PolarHBondContact O-N 3.22Å; D61-R64 WeakPolarHBondContact OD1-CD 3.42Å; D61-R64 IonicContact OD1-CZ 3.76Å; D61-R64 IonicContact OD1-NE 3.99Å; D61-R64 IonicContact OD1-NH1 2.81Å; D61-R64 PolarHBondContact OD1-NH1 3.43Å; D61-N65 WeakPolarHBondContact O-CB 3.23Å; D61-N65 PolarHBondContact O-N 3.13Å; D61-N65 PolarHBondContact O-ND2 2.98Å
62E94.4Very high94Very high134 Ų13461.9 Ų61.963%0.62632%0.323SS*.Hα-helixtrans-60.5-37.8168-69.7-177.9174.800111.9T58 I60 G66T58-E62 PolarHBondContact O-N 2.92Å; T58-E62 VanDerWaalsContact O-N 3.15Å; I60-E62 VanDerWaalsContact C-N 3.28Å; I60-E62 PolarHBondContact O-N 2.92Å; E62-G66 VanDerWaalsContact O-CA 3.24Å; E62-G66 WeakPolarHBondContact O-CA 3.24Å; E62-G66 PolarHBondContact O-N 3.41Å
63I93.4Very high94Very high9 Ų963.5 Ų63.55%0.04633%0.331CS..Hα-helixtrans-72.3-44.9176.5-56172.7000110.2F52 I60 D61 N65 G66 R69 F72 L77F52-I63 HydrophobicContact CD1-CD1 3.52Å; F52-I63 HydrophobicContact CE1-CD1 3.63Å; F52-I63 HydrophobicContact CG-CD1 4.02Å; F52-I63 HydrophobicContact CZ-CD1 4.22Å; I60-I63 HydrophobicContact CD1-CD1 4.45Å; I60-I63 WeakPolarHBondContact O-CA 3.47Å; I60-I63 WeakPolarHBondContact O-CB 3.31Å; I60-I63 PolarHBondContact O-N 2.64Å; D61-I63 VanDerWaalsContact C-N 3.27Å; D61-I63 PolarHBondContact O-N 2.95Å; I63-N65 PolarHBondContact O-N 3.29Å; I63-G66 PolarHBondContact O-N 3.12Å; I63-R69 WeakPolarHBondContact O-CA 3.45Å; I63-F72 HydrophobicContact CG2-CD2 3.71Å; I63-F72 HydrophobicContact CG2-CE2 3.77Å; I63-L77 HydrophobicContact CG2-CD1 4.28Å; I63-L77 HydrophobicContact CG2-CD2 4.29Å
64R94.6Very high93.9Very high81 Ų8163.8 Ų63.831%0.30634%0.335SS..Hα-helixtrans-63.7-26.9179.7-68.8173.4179.4155.5-0.1113.3I60 D61 R69 L77 T79I60-R64 HydrophobicContact CG2-CG 4.3Å; I60-R64 WeakPolarHBondContact O-CG 3.41Å; I60-R64 PolarHBondContact O-N 3.43Å; D61-R64 PolarHBondContact O-N 3.22Å; D61-R64 WeakPolarHBondContact OD1-CD 3.42Å; D61-R64 IonicContact OD1-CZ 3.76Å; D61-R64 IonicContact OD1-NE 3.99Å; D61-R64 IonicContact OD1-NH1 2.81Å; D61-R64 PolarHBondContact OD1-NH1 3.43Å; R64-R69 WeakPolarHBondContact O-CB 3.35Å; R64-L77 HydrophobicContact CG-CD1 3.62Å; R64-L77 PolarHBondContact NH2-O 3.43Å; R64-T79 PolarHBondContact NH2-OG1 3.24Å
65N94.8Very high93.8Very high128 Ų12869.1 Ų69.168%0.68436%0.359SS*.Hα-helixtrans-107.8-3.4179.4-62.2-56.4000113.2D61 I63D61-N65 WeakPolarHBondContact O-CB 3.23Å; D61-N65 PolarHBondContact O-N 3.13Å; D61-N65 PolarHBondContact O-ND2 2.98Å; I63-N65 PolarHBondContact O-N 3.29Å
66G94Very high93.9Very high18 Ų1866.6 Ų66.619%0.18635%0.345CS..SBendtrans-80.8-179.2-176.100000114.3E62 I63 Y68 R69E62-G66 VanDerWaalsContact O-CA 3.24Å; E62-G66 WeakPolarHBondContact O-CA 3.24Å; E62-G66 PolarHBondContact O-N 3.41Å; I63-G66 PolarHBondContact O-N 3.12Å; G66-Y68 PolarHBondContact O-N 3.29Å; G66-R69 VanDerWaalsContact O-CB 3.26Å; G66-R69 WeakPolarHBondContact O-CB 3.5Å; G66-R69 VanDerWaalsContact O-CG 3.31Å; G66-R69 WeakPolarHBondContact O-CG 3.41Å; G66-R69 PolarHBondContact O-N 3.19Å; G66-R69 VanDerWaalsContact O-N 3.08Å
67P93.9Very high94Very high105 Ų10565 Ų6568%0.68234%0.337SS*.THydrogen-bonded Turntrans-57.2-36.2179.9-24.634.3000113.2P17 R69P17-P67 WeakPolarHBondContact CB-O 3.48Å; P67-R69 VanDerWaalsContact C-N 3.34Å
68Y94.2Very high94.2Very high17 Ų1766.9 Ų66.97%0.06734%0.344CS..THydrogen-bonded Turntrans-92.618-179.5-67.3-83.2000113.6E7 C10 P17 G66 Q70 L71E7-Y68 HydrophobicContact CB-CE2 3.76Å; E7-Y68 HydrophobicContact CG-CE2 3.74Å; C10-Y68 HydrophobicContact CB-CE1 3.92Å; P17-Y68 HydrophobicContact CB-CD1 3.82Å; P17-Y68 HydrophobicContact CB-CE1 3.89Å; P17-Y68 HydrophobicContact CB-CG 4.39Å; P17-Y68 HydrophobicContact CG-CD1 4.43Å; P17-Y68 HydrophobicContact CG-CE1 4Å; G66-Y68 PolarHBondContact O-N 3.29Å; Y68-Q70 PolarHBondContact O-N 3.08Å; Y68-L71 HydrophobicContact CD1-CB 4.26Å; Y68-L71 HydrophobicContact CD1-CD2 3.72Å; Y68-L71 HydrophobicContact CD1-CG 4.49Å; Y68-L71 HydrophobicContact CE1-CD2 4.48Å; Y68-L71 HydrophobicContact CG-CD2 4.37Å; Y68-L71 VanDerWaalsContact O-CB 3.23Å; Y68-L71 WeakPolarHBondContact O-CB 3.46Å; Y68-L71 PolarHBondContact O-N 2.79Å
69R94.8Very high94.3Very high143 Ų14365.1 Ų65.154%0.5433%0.333SS..THydrogen-bonded Turntrans-55.5-24.7179.565.6-179.1-17478.54.5114.7I63 R64 G66 P67I63-R69 WeakPolarHBondContact O-CA 3.45Å; R64-R69 WeakPolarHBondContact O-CB 3.35Å; G66-R69 VanDerWaalsContact O-CB 3.26Å; G66-R69 WeakPolarHBondContact O-CB 3.5Å; G66-R69 VanDerWaalsContact O-CG 3.31Å; G66-R69 WeakPolarHBondContact O-CG 3.41Å; G66-R69 PolarHBondContact O-N 3.19Å; G66-R69 VanDerWaalsContact O-N 3.08Å; P67-R69 VanDerWaalsContact C-N 3.34Å
70Q95.1Very high94.2Very high94 Ų9463.3 Ų63.344%0.43933%0.329SS..THydrogen-bonded Turntrans-91-12.8179.2-67.9-175.781.100112.2D18 K45 Y68D18-Q70 HydrophobicContact CB-CB 4.44Å; K45-Q70 WeakPolarHBondContact CE-O 3.12Å; K45-Q70 PolarHBondContact NZ-O 3.15Å; Y68-Q70 PolarHBondContact O-N 3.08Å
71L95.4Very high93.9Very high0 Ų072.8 Ų72.80%037%0.37CS..THydrogen-bonded Turntrans-71-45-174.4-174.566000111.8C10 I15 V47 P48 Y68C10-L71 VanDerWaalsContact SG-CD2 3.56Å; I15-L71 HydrophobicContact CG2-CD1 4.35Å; V47-L71 WeakPolarHBondContact CG1-O 3.26Å; P48-L71 WeakPolarHBondContact CD-O 3.41Å; P48-L71 HydrophobicContact CG-CD1 4.22Å; P48-L71 HydrophobicContact CG-CD2 3.67Å; P48-L71 HydrophobicContact CG-CG 3.65Å; Y68-L71 HydrophobicContact CD1-CB 4.26Å; Y68-L71 HydrophobicContact CD1-CD2 3.72Å; Y68-L71 HydrophobicContact CD1-CG 4.49Å; Y68-L71 HydrophobicContact CE1-CD2 4.48Å; Y68-L71 HydrophobicContact CG-CD2 4.37Å; Y68-L71 VanDerWaalsContact O-CB 3.23Å; Y68-L71 WeakPolarHBondContact O-CB 3.46Å; Y68-L71 PolarHBondContact O-N 2.79Å
72F94.6Very high93.5Very high8 Ų878 Ų784%0.03539%0.392CS..SBendtrans-90152.9-174.1-54.4-79000112.7W6 P48 F52 I63 L77W6-F72 HydrophobicContact CB-CE1 4.5Å; W6-F72 HydrophobicContact CB-CZ 3.99Å; W6-F72 HydrophobicContact CD2-CE1 4.48Å; W6-F72 HydrophobicContact CG-CE1 4.11Å; W6-F72 HydrophobicContact CG-CZ 4.05Å; P48-F72 HydrophobicContact CB-CD1 3.96Å; P48-F72 HydrophobicContact CB-CE1 3.73Å; P48-F72 HydrophobicContact CG-CD1 3.89Å; P48-F72 HydrophobicContact CG-CE1 3.58Å; P48-F72 HydrophobicContact CG-CZ 4.35Å; F52-F72 HydrophobicContact CD2-CE1 4.5Å; F52-F72 AromaticContact CE2-CD1 3.89Å; F52-F72 HydrophobicContact CE2-CD1 3.89Å; F52-F72 AromaticContact CE2-CE1 3.48Å; F52-F72 HydrophobicContact CE2-CE1 3.48Å; F52-F72 VanDerWaalsContact CE2-CE1 3.48Å; F52-F72 HydrophobicContact CE2-CE2 4.49Å; F52-F72 AromaticContact CE2-CZ 3.82Å; F52-F72 HydrophobicContact CE2-CZ 3.82Å; F52-F72 HydrophobicContact CZ-CE1 4.09Å; F52-F72 HydrophobicContact CZ-CZ 4.02Å; I63-F72 HydrophobicContact CG2-CD2 3.71Å; I63-F72 HydrophobicContact CG2-CE2 3.77Å; F72-L77 HydrophobicContact CB-CD1 4.39Å; F72-L77 HydrophobicContact CB-CD2 4.31Å; F72-L77 HydrophobicContact CB-CG 4.38Å; F72-L77 HydrophobicContact CG-CD2 4.47Å
73H94.4Very high93.2Very high64 Ų6476 Ų7630%0.29639%0.386SS..  trans-73.5135.5164.9-72.9-66.7000109.7V47 E75 Q76V47-H73 WeakPolarHBondContact CG1-CD2 3.49Å; H73-E75 HydrophobicContact CB-CG 3.91Å; H73-E75 PolarHBondContact O-N 3.4Å; H73-E75 VanDerWaalsContact O-N 3.12Å; H73-Q76 HydrophobicContact CB-CG 4.04Å; H73-Q76 VanDerWaalsContact O-CB 3.3Å; H73-Q76 WeakPolarHBondContact O-CB 3.26Å; H73-Q76 PolarHBondContact O-N 3.38Å
74P93.1Very high92.8Very high105 Ų10577.5 Ų77.568%0.68240%0.4SS*.G310 helixtrans-56.4-31.4179.3-27.235000113.8Q76 L77P74-Q76 PolarHBondContact O-N 2.92Å; P74-L77 PolarHBondContact O-N 3.15Å; P74-L77 VanDerWaalsContact O-N 3.11Å
75E93.1Very high92.5Very high153 Ų15377.3 Ų77.372%0.71542%0.415SS*.G310 helixtrans-68.6-16.5176.167.1-147.2-172.700114.2H73 L77H73-E75 HydrophobicContact CB-CG 3.91Å; H73-E75 PolarHBondContact O-N 3.4Å; H73-E75 VanDerWaalsContact O-N 3.12Å; E75-L77 VanDerWaalsContact C-N 3.3Å
76Q93.8Very high92.2Very high33 Ų3379.3 Ų79.315%0.15443%0.426CS..G310 helixtrans-84.6-5.5172.7-65.1171.7-39.200112.5P48 A50 F52 H73 P74P48-Q76 PolarHBondContact O-NE2 3.49Å; A50-Q76 WeakPolarHBondContact O-CB 3.37Å; A50-Q76 WeakPolarHBondContact O-CG 3.08Å; A50-Q76 PolarHBondContact O-NE2 3.05Å; F52-Q76 PolarHBondContact N-O 3.37Å; H73-Q76 HydrophobicContact CB-CG 4.04Å; H73-Q76 VanDerWaalsContact O-CB 3.3Å; H73-Q76 WeakPolarHBondContact O-CB 3.26Å; H73-Q76 PolarHBondContact O-N 3.38Å; P74-Q76 PolarHBondContact O-N 2.92Å
77L95.4Very high91.7Very high10 Ų1083.4 Ų83.45%0.05244%0.444CS..EExtended strand (participates in β ladder)trans-111.789.2-177-59.4-175.9000109.7F52 I60 I63 R64 F72 P74 E75F52-L77 HydrophobicContact CB-CD2 3.84Å; F52-L77 HydrophobicContact CD2-CD2 3.64Å; F52-L77 HydrophobicContact CE2-CD2 4.48Å; F52-L77 HydrophobicContact CG-CD2 3.97Å; I60-L77 HydrophobicContact CG2-CB 3.71Å; I63-L77 HydrophobicContact CG2-CD1 4.28Å; I63-L77 HydrophobicContact CG2-CD2 4.29Å; R64-L77 HydrophobicContact CG-CD1 3.62Å; R64-L77 PolarHBondContact NH2-O 3.43Å; F72-L77 HydrophobicContact CB-CD1 4.39Å; F72-L77 HydrophobicContact CB-CD2 4.31Å; F72-L77 HydrophobicContact CB-CG 4.38Å; F72-L77 HydrophobicContact CG-CD2 4.47Å; P74-L77 PolarHBondContact O-N 3.15Å; P74-L77 VanDerWaalsContact O-N 3.11Å; E75-L77 VanDerWaalsContact C-N 3.3Å
78I95.4Very high91.4Very high87 Ų8789.7 Ų89.745%0.44646%0.456SS..EExtended strand (participates in β ladder)trans-100.8127.5-170-55.6173.5000109.9V51 F52 V53 D54V51-I78 HydrophobicContact CG1-CD1 4.02Å; F52-I78 PolarHBondContact O-N 3.44Å; V53-I78 WeakPolarHBondContact CA-O 3.44Å; V53-I78 HydrophobicContact CG1-CB 4.47Å; V53-I78 HydrophobicContact CG1-CG2 4.47Å; V53-I78 HydrophobicContact CG2-CB 4.36Å; V53-I78 HydrophobicContact CG2-CD1 4.35Å; D54-I78 PolarHBondContact N-O 2.87Å
79T95Very high90.2Very high47 Ų4795.7 Ų95.729%0.28851%0.509SS..EExtended strand (participates in β ladder)trans-129.3134.9-178.549.80000111.7D54 P57 I60 R64D54-T79 CarbonylContact O-C 3.43Å; D54-T79 VanDerWaalsContact O-CA 3.23Å; D54-T79 WeakPolarHBondContact O-CA 3.44Å; P57-T79 HydrophobicContact CB-CG2 4.36Å; I60-T79 HydrophobicContact CB-CG2 3.32Å; I60-T79 HydrophobicContact CG1-CG2 3.48Å; I60-T79 VanDerWaalsContact CG1-CG2 3.48Å; I60-T79 HydrophobicContact CG2-CG2 3.57Å; R64-T79 PolarHBondContact NH2-OG1 3.24Å
80G91.2Very high90Very high32 Ų3293.4 Ų93.433%0.3351%0.507SS..  trans-81.4-168.9163.900000113.1D54 L55D54-G80 PolarHBondContact O-N 3.23Å; L55-G80 CarbonylContact O-C 3.55Å; L55-G80 WeakPolarHBondContact O-CA 3.48Å; L55-G80 PolarHBondContact O-N 2.84Å
81K87.2Confident89.7Confident202 Ų20293.3 Ų93.388%0.87851%0.511SS*.SBendtrans-113.4-18.1174.8-67.8-174.5-179.8-179.60113.5L55L55-K81 PolarHBondContact O-N 3.49Å
82E86.8Confident89.4Confident168 Ų16898.5 Ų98.579%0.78554%0.539SS*.SBendtrans-135.1127.4-173.2-68.9-178.6-179.700107.8L55L55-E82 WeakPolarHBondContact CB-O 3.47Å; L55-E82 CarbonylContact O-C 3.59Å; L55-E82 PolarHBondContact O-N 3.38Å; L55-E82 VanDerWaalsContact O-O 3.09Å
83D86.1Confident89.1Confident91 Ų91103.8 Ų103.849%0.48757%0.569SS.*  trans-71.3156.3175.4177.329.7000111.1E56 A85E56-D83 HydrophobicContact CB-CB 4.16Å; E56-D83 HydrophobicContact CG-CB 4.33Å; D83-A85 PolarHBondContact O-N 2.96Å; D83-A85 VanDerWaalsContact O-N 3.11Å; D83-A85 PolarHBondContact OD2-N 3.11Å
84A85.3Confident88.8Confident41 Ų41106.3 Ų106.334%0.33959%0.586SS.*  trans-60.8-11.3169.100000113.3L55 N86 N87L55-A84 HydrophobicContact CD1-CB 3.73Å; A84-N86 PolarHBondContact O-N 3.3Å; A84-N87 WeakPolarHBondContact O-CB 3.39Å; A84-N87 PolarHBondContact O-N 3.33Å
85A88.9Confident88.5Confident77 Ų77106.4 Ų106.464%0.63658%0.58SS**THydrogen-bonded Turntrans5538.6178.700000112.7D83 N87D83-A85 PolarHBondContact O-N 2.96Å; D83-A85 VanDerWaalsContact O-N 3.11Å; D83-A85 PolarHBondContact OD2-N 3.11Å; A85-N87 PolarHBondContact O-N 3.06Å
86N88Confident88.2Confident170 Ų170103.1 Ų103.191%0.90957%0.57SS**THydrogen-bonded Turntrans58.324.9-173.4-56.1-71.3000114.7A84A84-N86 PolarHBondContact O-N 3.3Å
87N85.1Confident87.7Confident105 Ų105108.5 Ų108.556%0.56160%0.602SS**  trans-104.3138.5175-170.14.5000111A84 A85 A89A84-N87 WeakPolarHBondContact O-CB 3.39Å; A84-N87 PolarHBondContact O-N 3.33Å; A85-N87 PolarHBondContact O-N 3.06Å; N87-A89 WeakPolarHBondContact OD1-CB 3.4Å; N87-A89 PolarHBondContact OD1-N 3.06Å; N87-A89 VanDerWaalsContact OD1-N 3.13Å
88Y87.4Confident87.1Confident237 Ų237116.7 Ų116.793%0.92965%0.648SS**  trans-91.3-16.6178.5178.5-99.7000113.7
89A68.9Low86.3Confident143 Ų143119.4 Ų119.4100%1.18267%0.666SS**  trans-71.30-161.500000116.5N87N87-A89 WeakPolarHBondContact OD1-CB 3.4Å; N87-A89 PolarHBondContact OD1-N 3.06Å; N87-A89 VanDerWaalsContact OD1-N 3.13Å

Retrieved 89 of 89 residues in 122.3 ms (Link to these results)