A0A087WSE4_MOUSE Loading...

TAR DNA binding protein

AlphaFold DB , UniProt , Accession A0A087WSE4, Species MOUSE (Mus musculus, Mouse), Gene Tardbp, Length 149 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
1M51.4Low83.2Confident222 Ų22286 Ų86100%1.09442%0.415SS*.  0119.40-78175.9-162.700104.5E3M1-E3 PolarHBondContact O-N 3.13Å; M1-E3 VanDerWaalsContact O-N 3.13Å
2S54.8Low82.9Confident85 Ų8590.9 Ų90.959%0.59445%0.445SS*.  trans-64.5113.6177.6-42.10000107.7
3E85.8Confident83.2Confident133 Ų13389.9 Ų89.962%0.62144%0.443SS*.  trans-84.6173.8172.5-72.8-172.2122.100108.9M1 S20M1-E3 PolarHBondContact O-N 3.13Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-S20 PolarHBondContact N-OG 2.97Å; E3-S20 WeakPolarHBondContact O-CB 3.38Å; E3-S20 PolarHBondContact O-N 3.32Å; E3-S20 PolarHBondContact O-OG 2.68Å
4Y92.1Very high83.7Confident120 Ų12096.4 Ų96.447%0.47147%0.472SS..EExtended strand (participates in β ladder)trans-134.1158.5177.162.6-93.8000109.7R6 E17 I18Y4-R6 HydrophobicContact CE2-CG 4.4Å; Y4-E17 HydrophobicContact CD2-CB 3.82Å; Y4-E17 HydrophobicContact CD2-CG 3.58Å; Y4-E17 HydrophobicContact CE2-CB 4.38Å; Y4-E17 HydrophobicContact CE2-CG 3.66Å; Y4-E17 WeakPolarHBondContact CE2-OE1 3.2Å; Y4-E17 HydrophobicContact CG-CB 4.34Å; Y4-E17 HydrophobicContact CG-CG 4.48Å; Y4-E17 PolarHBondContact OH-OE1 3.28Å; Y4-I18 CarbonylContact C-O 3.52Å; Y4-I18 VanDerWaalsContact CA-O 3.31Å; Y4-I18 WeakPolarHBondContact CA-O 3.35Å
5I94.7Very high84.3Confident1 Ų193.5 Ų93.51%0.00546%0.463CS..EExtended strand (participates in β ladder)trans-120147.4176.967.9157.7000110V7 E17 I18 V26 L41 W68I5-V7 HydrophobicContact CD1-CG2 3.52Å; I5-V7 HydrophobicContact CG1-CG2 3.74Å; I5-E17 CarbonylContact O-C 3.56Å; I5-E17 WeakPolarHBondContact O-CA 3.27Å; I5-I18 HydrophobicContact CG1-CB 3.97Å; I5-I18 PolarHBondContact N-O 3.15Å; I5-I18 PolarHBondContact O-N 3.48Å; I5-V26 HydrophobicContact CD1-CB 4.31Å; I5-V26 HydrophobicContact CD1-CG1 4.06Å; I5-V26 HydrophobicContact CD1-CG2 3.89Å; I5-V26 HydrophobicContact CG1-CG2 4.06Å; I5-V26 HydrophobicContact CG2-CG2 3.98Å; I5-L41 HydrophobicContact CD1-CD1 3.78Å; I5-W68 HydrophobicContact CB-CE3 4.49Å; I5-W68 HydrophobicContact CD1-CE3 4.4Å; I5-W68 HydrophobicContact CD1-CZ3 4.22Å; I5-W68 HydrophobicContact CG2-CB 3.68Å; I5-W68 HydrophobicContact CG2-CD2 3.44Å; I5-W68 VanDerWaalsContact CG2-CD2 3.44Å; I5-W68 HydrophobicContact CG2-CE3 3.81Å; I5-W68 HydrophobicContact CG2-CG 3.36Å
6R95.2Very high84.9Confident79 Ų7992.2 Ų92.230%0.29846%0.457SS..EExtended strand (participates in β ladder)trans-95.8115.8179.6-67.5-171.3-62.7176.31110Y4 P15 E17 N70 Y73Y4-R6 HydrophobicContact CE2-CG 4.4Å; R6-P15 HydrophobicContact CB-CB 4.02Å; R6-P15 HydrophobicContact CB-CG 4.42Å; R6-E17 HydrophobicContact CG-CG 4.19Å; R6-N70 VanDerWaalsContact NH2-C 3.32Å; R6-N70 PolarHBondContact NH2-O 3.01Å; R6-Y73 PolarHBondContact O-N 2.74Å
7V96.1Very high85.5Confident0 Ų093 Ų930%046%0.46CS..EExtended strand (participates in β ladder)trans-122.5135.2-173.4-173.30000110.6I5 P15 I16 I18 F35 L41 Y73 V75I5-V7 HydrophobicContact CD1-CG2 3.52Å; I5-V7 HydrophobicContact CG1-CG2 3.74Å; V7-P15 CarbonylContact O-C 3.57Å; V7-P15 WeakPolarHBondContact O-CA 3.37Å; V7-I16 PolarHBondContact N-O 2.86Å; V7-I16 PolarHBondContact O-N 2.86Å; V7-I18 HydrophobicContact CB-CG1 3.91Å; V7-I18 HydrophobicContact CG2-CB 4.22Å; V7-I18 HydrophobicContact CG2-CG1 3.64Å; V7-F35 HydrophobicContact CB-CE2 3.91Å; V7-F35 HydrophobicContact CB-CZ 4.43Å; V7-F35 HydrophobicContact CG1-CD2 4.04Å; V7-F35 HydrophobicContact CG1-CE2 3.57Å; V7-F35 HydrophobicContact CG1-CZ 4.13Å; V7-L41 HydrophobicContact CG1-CD2 3.8Å; V7-L41 HydrophobicContact CG2-CD1 4.34Å; V7-Y73 CarbonylContact C-O 3.59Å; V7-Y73 VanDerWaalsContact CA-O 3.25Å; V7-Y73 WeakPolarHBondContact CA-O 3.3Å; V7-V75 HydrophobicContact CG1-CG1 3.57Å
8T95.4Very high86Confident4 Ų488 Ų883%0.02544%0.435CS..EExtended strand (participates in β ladder)trans-135.5161.6177.4-172.20000111.1D10 D13 V72 Y73 V74 V75T8-D10 WeakPolarHBondContact CG2-O 3.46Å; T8-D10 PolarHBondContact OG1-N 2.9Å; T8-D10 PolarHBondContact OG1-O 2.61Å; T8-D13 WeakPolarHBondContact OG1-CB 3.35Å; T8-V72 HydrophobicContact CG2-CG1 3.59Å; T8-Y73 PolarHBondContact N-O 3.29Å; T8-V74 HydrophobicContact CG2-CG2 4.11Å; T8-V74 CarbonylContact O-C 3.48Å; T8-V74 VanDerWaalsContact O-CA 3.29Å; T8-V74 WeakPolarHBondContact O-CA 3.12Å; T8-V75 PolarHBondContact O-N 2.84Å
9E90.6Very high86.5Confident110 Ų11087.3 Ų87.351%0.51444%0.438SS..SBendtrans-85.4-36.7170.563.9178.9-135.200113.3D13 F35 V74 V75E9-D13 WeakPolarHBondContact CG-OD2 3.27Å; E9-F35 HydrophobicContact CB-CD1 4.49Å; E9-F35 HydrophobicContact CB-CE1 4.37Å; E9-V74 WeakPolarHBondContact O-CG1 3.4Å; E9-V75 HydrophobicContact CB-CG2 3.98Å
10D84.8Confident86.8Confident73 Ų7383.4 Ų83.439%0.3942%0.419SS..SBendtrans-129.6151.9179.1-163.9-82.7000110.7T8 N12 D13T8-D10 WeakPolarHBondContact CG2-O 3.46Å; T8-D10 PolarHBondContact OG1-N 2.9Å; T8-D10 PolarHBondContact OG1-O 2.61Å; D10-N12 PolarHBondContact O-N 3.41Å; D10-N12 WeakPolarHBondContact OD1-CB 3.48Å; D10-N12 PolarHBondContact OD1-N 3.48Å; D10-N12 PolarHBondContact OD1-ND2 3.09Å; D10-D13 PolarHBondContact O-N 3.49Å
11E74.4Confident87.2Confident119 Ų11983.1 Ų83.156%0.55642%0.416SS*.THydrogen-bonded Turntrans-64.6-16.9177.5-67.5-173140.400112.5R44 V74E11-R44 IonicContact OE1-NH1 3.97Å; E11-V74 HydrophobicContact CG-CG2 4.26Å
12N79.7Confident88.9Confident145 Ų14579.4 Ų79.478%0.77540%0.401SS*.THydrogen-bonded Turntrans-92.5-11.7179.3-60.4-77000114.2D10D10-N12 PolarHBondContact O-N 3.41Å; D10-N12 WeakPolarHBondContact OD1-CB 3.48Å; D10-N12 PolarHBondContact OD1-N 3.48Å; D10-N12 PolarHBondContact OD1-ND2 3.09Å
13D86.6Confident90.5Very high78 Ų7880.9 Ų80.942%0.41740%0.402SS..SBendtrans-90.6154.9-177.5-73-27.2000112.7T8 E9 D10T8-D13 WeakPolarHBondContact OG1-CB 3.35Å; E9-D13 WeakPolarHBondContact CG-OD2 3.27Å; D10-D13 PolarHBondContact O-N 3.49Å
14E89.7Confident90.7Very high181 Ų18175.7 Ų75.785%0.84638%0.384SS*.PPolyproline II helixtrans-67.5124.6174.5-70.5-170.8159.600110.2
15P93.6Very high90.8Very high52 Ų5270.5 Ų70.534%0.33837%0.365SS..PPolyproline II helixtrans-73.1142.9-177.529.7-34.6000111.6R6 V7 V72R6-P15 HydrophobicContact CB-CB 4.02Å; R6-P15 HydrophobicContact CB-CG 4.42Å; V7-P15 CarbonylContact O-C 3.57Å; V7-P15 WeakPolarHBondContact O-CA 3.37Å; P15-V72 HydrophobicContact CB-CG1 4.23Å
16I94.1Very high90.8Very high73 Ų7370.4 Ų70.437%0.37437%0.365SS..EExtended strand (participates in β ladder)trans-92.2137.6173.5-61178000109.4V7 I18 F35V7-I16 PolarHBondContact N-O 2.86Å; V7-I16 PolarHBondContact O-N 2.86Å; I16-I18 HydrophobicContact CG2-CD1 3.93Å; I16-F35 HydrophobicContact CB-CZ 4.29Å; I16-F35 HydrophobicContact CD1-CE1 4.5Å; I16-F35 HydrophobicContact CD1-CZ 3.96Å; I16-F35 HydrophobicContact CG1-CZ 4.35Å
17E95.4Very high90.9Very high106 Ų10669 Ų6950%0.49536%0.363SS..EExtended strand (participates in β ladder)trans-81.6119173.7-66.1-176.9167.500110.5Y4 I5 R6Y4-E17 HydrophobicContact CD2-CB 3.82Å; Y4-E17 HydrophobicContact CD2-CG 3.58Å; Y4-E17 HydrophobicContact CE2-CB 4.38Å; Y4-E17 HydrophobicContact CE2-CG 3.66Å; Y4-E17 WeakPolarHBondContact CE2-OE1 3.2Å; Y4-E17 HydrophobicContact CG-CB 4.34Å; Y4-E17 HydrophobicContact CG-CG 4.48Å; Y4-E17 PolarHBondContact OH-OE1 3.28Å; I5-E17 CarbonylContact O-C 3.56Å; I5-E17 WeakPolarHBondContact O-CA 3.27Å; R6-E17 HydrophobicContact CG-CG 4.19Å
18I94.4Very high90.7Very high3 Ų370.4 Ų70.42%0.01537%0.37CS..EExtended strand (participates in β ladder)trans-107.5125.7178.3-54.4-61.1000108.5Y4 I5 V7 I16 V26 T30 V31 Q34 F35Y4-I18 CarbonylContact C-O 3.52Å; Y4-I18 VanDerWaalsContact CA-O 3.31Å; Y4-I18 WeakPolarHBondContact CA-O 3.35Å; I5-I18 HydrophobicContact CG1-CB 3.97Å; I5-I18 PolarHBondContact N-O 3.15Å; I5-I18 PolarHBondContact O-N 3.48Å; V7-I18 HydrophobicContact CB-CG1 3.91Å; V7-I18 HydrophobicContact CG2-CB 4.22Å; V7-I18 HydrophobicContact CG2-CG1 3.64Å; I16-I18 HydrophobicContact CG2-CD1 3.93Å; I18-V26 HydrophobicContact CG2-CG1 4.12Å; I18-T30 HydrophobicContact CG2-CG2 3.63Å; I18-V31 HydrophobicContact CG2-CG2 4.36Å; I18-Q34 HydrophobicContact CD1-CB 4.02Å; I18-Q34 HydrophobicContact CD1-CG 3.53Å; I18-F35 HydrophobicContact CD1-CE2 4.36Å
19P94.6Very high90.6Very high75 Ų7573.7 Ų73.749%0.48739%0.393SS..EExtended strand (participates in β ladder)trans-68144.8-17928.1-34.3000111.8T30P19-T30 HydrophobicContact CG-CG2 4.02Å
20S93.7Very high90.8Very high9 Ų970.1 Ų70.16%0.06338%0.379CS..PPolyproline II helixtrans-94.7159.1170.2810000111.7E3 T25E3-S20 PolarHBondContact N-OG 2.97Å; E3-S20 WeakPolarHBondContact O-CB 3.38Å; E3-S20 PolarHBondContact O-N 3.32Å; E3-S20 PolarHBondContact O-OG 2.68Å; S20-T25 WeakPolarHBondContact CA-O 3.28Å; S20-T25 WeakPolarHBondContact CB-O 3.41Å
21E93.2Very high91.3Very high77 Ų7766.6 Ų66.636%0.3636%0.36SS..PPolyproline II helixtrans-72.7169.7170.9-57.9-60.512100111D23 G24 T25 L27E21-D23 WeakPolarHBondContact CB-OD1 3.35Å; E21-D23 PolarHBondContact O-N 2.93Å; E21-G24 PolarHBondContact O-N 2.93Å; E21-T25 PolarHBondContact N-O 2.74Å; E21-L27 HydrophobicContact CG-CD1 4.35Å; E21-L27 HydrophobicContact CG-CD2 4.48Å; E21-L27 HydrophobicContact CG-CG 3.93Å
22D88.8Confident92.2Very high145 Ų14563.2 Ų63.278%0.77535%0.348SS*.THydrogen-bonded Turntrans-66.6-22.7-179.2-68.7-43.5000113.7G24D22-G24 VanDerWaalsContact C-N 3.26Å
23D88.7Confident92.8Very high116 Ų11659.7 Ų59.762%0.6234%0.339SS*.THydrogen-bonded Turntrans-85.62.5175.171.2-8.2000113.2E21 T25E21-D23 WeakPolarHBondContact CB-OD1 3.35Å; E21-D23 PolarHBondContact O-N 2.93Å; D23-T25 VanDerWaalsContact C-N 3.27Å; D23-T25 PolarHBondContact O-N 3.38Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.34Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.08Å; D23-T25 PolarHBondContact OD1-N 3.3Å; D23-T25 PolarHBondContact OD1-OG1 2.83Å; D23-T25 PolarHBondContact OD2-OG1 3.09Å
24G88.9Confident93Very high24 Ų2461.3 Ų61.325%0.24734%0.344CS..SBendtrans786.9-17800000113.9E21 D22 W68E21-G24 PolarHBondContact O-N 2.93Å; D22-G24 VanDerWaalsContact C-N 3.26Å; G24-W68 PolarHBondContact O-NE1 3.5Å
25T94.4Very high93.2Very high10 Ų1053.2 Ų53.26%0.06131%0.306CS..  trans-84.3167.1170.768.90000111.4S20 E21 D23 I60 L61S20-T25 WeakPolarHBondContact CA-O 3.28Å; S20-T25 WeakPolarHBondContact CB-O 3.41Å; E21-T25 PolarHBondContact N-O 2.74Å; D23-T25 VanDerWaalsContact C-N 3.27Å; D23-T25 PolarHBondContact O-N 3.38Å; D23-T25 VanDerWaalsContact OD1-CB 3.31Å; D23-T25 WeakPolarHBondContact OD1-CB 3.34Å; D23-T25 WeakPolarHBondContact OD1-CG2 3.08Å; D23-T25 PolarHBondContact OD1-N 3.3Å; D23-T25 PolarHBondContact OD1-OG1 2.83Å; D23-T25 PolarHBondContact OD2-OG1 3.09Å; T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.78Å; T25-I60 WeakPolarHBondContact OG1-CG2 3.19Å; T25-L61 WeakPolarHBondContact CA-O 3.48Å; T25-L61 WeakPolarHBondContact CB-O 3.17Å
26V95.6Very high93Very high0 Ų055.6 Ų55.60%032%0.321CS..EExtended strand (participates in β ladder)trans-125.6129174.5176.90000108.6I5 I18 V31 L61 W68I5-V26 HydrophobicContact CD1-CB 4.31Å; I5-V26 HydrophobicContact CD1-CG1 4.06Å; I5-V26 HydrophobicContact CD1-CG2 3.89Å; I5-V26 HydrophobicContact CG1-CG2 4.06Å; I5-V26 HydrophobicContact CG2-CG2 3.98Å; I18-V26 HydrophobicContact CG2-CG1 4.12Å; V26-V31 HydrophobicContact CG1-CG2 3.97Å; V26-L61 HydrophobicContact CB-CB 4.26Å; V26-L61 HydrophobicContact CG1-CD1 4.35Å; V26-L61 PolarHBondContact N-O 3.1Å; V26-L61 WeakPolarHBondContact O-CA 3.5Å; V26-L61 WeakPolarHBondContact O-CB 3.17Å; V26-L61 PolarHBondContact O-N 3.31Å; V26-W68 HydrophobicContact CB-CZ2 4.11Å; V26-W68 HydrophobicContact CG2-CH2 4.34Å; V26-W68 HydrophobicContact CG2-CZ2 3.7Å
27L95.3Very high92.8Very high50 Ų5054.4 Ų54.426%0.26233%0.327SS..EExtended strand (participates in β ladder)trans-74.9133.6176.7-60.6175.7000110.6E21 S29 T30 V31 I60E21-L27 HydrophobicContact CG-CD1 4.35Å; E21-L27 HydrophobicContact CG-CD2 4.48Å; E21-L27 HydrophobicContact CG-CG 3.93Å; L27-S29 WeakPolarHBondContact CB-OG 3.25Å; L27-S29 PolarHBondContact O-N 3.29Å; L27-T30 WeakPolarHBondContact O-CB 3.49Å; L27-T30 PolarHBondContact O-N 3.34Å; L27-V31 PolarHBondContact O-N 3.39Å; L27-I60 HydrophobicContact CD2-CG1 4.03Å
28L93.6Very high92.6Very high29 Ų2949.7 Ų49.715%0.15231%0.306CS..Hα-helixtrans-59.1-32.9173.4-177.464.9000110.8T30 V31 T32 L56 G59 L61L28-T30 VanDerWaalsContact C-N 3.28Å; L28-T30 PolarHBondContact O-N 3.35Å; L28-V31 PolarHBondContact O-N 3.42Å; L28-T32 HydrophobicContact CD1-CG2 4.38Å; L28-T32 HydrophobicContact CG-CG2 4.19Å; L28-T32 WeakPolarHBondContact O-CG2 3.47Å; L28-T32 PolarHBondContact O-N 3.25Å; L28-T32 PolarHBondContact O-OG1 2.94Å; L28-L56 HydrophobicContact CB-CD1 4.23Å; L28-L56 HydrophobicContact CD2-CD1 4.26Å; L28-L56 HydrophobicContact CD2-CD2 4.11Å; L28-G59 WeakPolarHBondContact CB-O 3.44Å; L28-G59 PolarHBondContact N-O 3.47Å; L28-L61 HydrophobicContact CD1-CD1 4.41Å
29S92.2Very high92.5Very high73 Ų7352.3 Ų52.351%0.5132%0.324SS..Hα-helixtrans-57-41.4174.151.60000112.2L27 T32 A33L27-S29 WeakPolarHBondContact CB-OG 3.25Å; L27-S29 PolarHBondContact O-N 3.29Å; S29-T32 VanDerWaalsContact CA-OG1 3.28Å; S29-T32 WeakPolarHBondContact CA-OG1 3.47Å; S29-T32 PolarHBondContact O-N 2.87Å; S29-T32 PolarHBondContact O-OG1 3.09Å; S29-A33 PolarHBondContact O-N 3.36Å
30T95Very high92.5Very high34 Ų3449.1 Ų49.121%0.20931%0.305CS..Hα-helixtrans-66.7-40178.4-46.50000111I18 P19 L27 L28 A33I18-T30 HydrophobicContact CG2-CG2 3.63Å; P19-T30 HydrophobicContact CG-CG2 4.02Å; L27-T30 WeakPolarHBondContact O-CB 3.49Å; L27-T30 PolarHBondContact O-N 3.34Å; L28-T30 VanDerWaalsContact C-N 3.28Å; L28-T30 PolarHBondContact O-N 3.35Å; T30-A33 WeakPolarHBondContact O-CB 3.22Å; T30-A33 PolarHBondContact O-N 2.81Å
31V94.8Very high92.5Very high0 Ų048.9 Ų48.90%030%0.303CS..Hα-helixtrans-64-46.5172.5178.40000110.6I18 V26 L27 L28 A33 Q34 F35 A38 L41 L61 V75I18-V31 HydrophobicContact CG2-CG2 4.36Å; V26-V31 HydrophobicContact CG1-CG2 3.97Å; L27-V31 PolarHBondContact O-N 3.39Å; L28-V31 PolarHBondContact O-N 3.42Å; V31-A33 PolarHBondContact O-N 2.99Å; V31-Q34 PolarHBondContact O-N 3.15Å; V31-F35 HydrophobicContact CG1-CD2 4.2Å; V31-F35 PolarHBondContact O-N 3.45Å; V31-A38 HydrophobicContact CG1-CB 4.13Å; V31-L41 HydrophobicContact CG1-CD2 4.05Å; V31-L41 HydrophobicContact CG2-CD1 4.3Å; V31-L61 HydrophobicContact CG2-CD1 3.78Å; V31-V75 HydrophobicContact CG1-CG1 3.87Å
32T93Very high92.6Very high48 Ų4849.7 Ų49.729%0.29430%0.302SS..Hα-helixtrans-68.2-19.8-17957.60000114.1L28 S29 Q34 F35 P36 A38L28-T32 HydrophobicContact CD1-CG2 4.38Å; L28-T32 HydrophobicContact CG-CG2 4.19Å; L28-T32 WeakPolarHBondContact O-CG2 3.47Å; L28-T32 PolarHBondContact O-N 3.25Å; L28-T32 PolarHBondContact O-OG1 2.94Å; S29-T32 VanDerWaalsContact CA-OG1 3.28Å; S29-T32 WeakPolarHBondContact CA-OG1 3.47Å; S29-T32 PolarHBondContact O-N 2.87Å; S29-T32 PolarHBondContact O-OG1 3.09Å; T32-Q34 VanDerWaalsContact C-N 3.29Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.56Å; T32-P36 WeakPolarHBondContact O-CA 3.37Å; T32-A38 HydrophobicContact CG2-CB 4.34Å; T32-A38 WeakPolarHBondContact CG2-O 3.45Å
33A92.6Very high92.9Very high71 Ų7143.2 Ų43.259%0.58727%0.267SS*.Hα-helixtrans-66.7-33.2174.600000111.9S29 T30 V31S29-A33 PolarHBondContact O-N 3.36Å; T30-A33 WeakPolarHBondContact O-CB 3.22Å; T30-A33 PolarHBondContact O-N 2.81Å; V31-A33 PolarHBondContact O-N 2.99Å
34Q92.4Very high93.1Very high112 Ų11243.3 Ų43.352%0.52326%0.259SS..Hα-helixtrans-95.7-31.3174.6-56.8-55.9-23.900112.5I18 V31 T32 P36I18-Q34 HydrophobicContact CD1-CB 4.02Å; I18-Q34 HydrophobicContact CD1-CG 3.53Å; V31-Q34 PolarHBondContact O-N 3.15Å; T32-Q34 VanDerWaalsContact C-N 3.29Å; Q34-P36 WeakPolarHBondContact O-CD 3.43Å
35F92.6Very high93.2Very high11 Ų1143.6 Ų43.65%0.04826%0.255CS..SBendtrans-123.380.1-177.1-57.5-79.3000111V7 E9 I16 I18 V31 T32 G37 A38 V75V7-F35 HydrophobicContact CB-CE2 3.91Å; V7-F35 HydrophobicContact CB-CZ 4.43Å; V7-F35 HydrophobicContact CG1-CD2 4.04Å; V7-F35 HydrophobicContact CG1-CE2 3.57Å; V7-F35 HydrophobicContact CG1-CZ 4.13Å; E9-F35 HydrophobicContact CB-CD1 4.49Å; E9-F35 HydrophobicContact CB-CE1 4.37Å; I16-F35 HydrophobicContact CB-CZ 4.29Å; I16-F35 HydrophobicContact CD1-CE1 4.5Å; I16-F35 HydrophobicContact CD1-CZ 3.96Å; I16-F35 HydrophobicContact CG1-CZ 4.35Å; I18-F35 HydrophobicContact CD1-CE2 4.36Å; V31-F35 HydrophobicContact CG1-CD2 4.2Å; V31-F35 PolarHBondContact O-N 3.45Å; T32-F35 WeakPolarHBondContact CA-O 3.41Å; T32-F35 CarbonylContact O-C 3.56Å; F35-G37 PolarHBondContact O-N 2.82Å; F35-A38 HydrophobicContact CB-CB 4.09Å; F35-A38 VanDerWaalsContact O-CB 3.31Å; F35-A38 WeakPolarHBondContact O-CB 3.31Å; F35-A38 PolarHBondContact O-N 3.42Å; F35-A38 VanDerWaalsContact O-N 3.11Å; F35-V75 HydrophobicContact CB-CG1 3.98Å; F35-V75 HydrophobicContact CB-CG2 4.48Å; F35-V75 HydrophobicContact CD1-CG1 4.34Å; F35-V75 HydrophobicContact CD1-CG2 4.15Å; F35-V75 HydrophobicContact CD2-CG1 3.91Å; F35-V75 HydrophobicContact CG-CG1 3.81Å; F35-V75 HydrophobicContact CG-CG2 4.34Å
36P90.4Very high92.9Very high102 Ų10246.9 Ų46.966%0.66228%0.277SS*.THydrogen-bonded Turntrans-56.5126.6-176.5-2634.9000112.4T32 Q34 Y77T32-P36 WeakPolarHBondContact O-CA 3.37Å; Q34-P36 WeakPolarHBondContact O-CD 3.43Å; P36-Y77 WeakPolarHBondContact O-CE1 3.49Å
37G88.7Confident92.7Very high48 Ų4853.1 Ų53.150%0.49531%0.314SS..THydrogen-bonded Turntrans87.31.3179.400000115.3F35 C39 P78F35-G37 PolarHBondContact O-N 2.82Å; G37-C39 PolarHBondContact O-N 3.13Å; G37-P78 WeakPolarHBondContact O-CD 3.36Å
38A91.3Very high92.5Very high6 Ų653.6 Ų53.65%0.0532%0.322CS..  trans-58.8133.8171.100000111.1V31 T32 F35 V75 Y77V31-A38 HydrophobicContact CG1-CB 4.13Å; T32-A38 HydrophobicContact CG2-CB 4.34Å; T32-A38 WeakPolarHBondContact CG2-O 3.45Å; F35-A38 HydrophobicContact CB-CB 4.09Å; F35-A38 VanDerWaalsContact O-CB 3.31Å; F35-A38 WeakPolarHBondContact O-CB 3.31Å; F35-A38 PolarHBondContact O-N 3.42Å; F35-A38 VanDerWaalsContact O-N 3.11Å; A38-V75 HydrophobicContact CB-CB 4.17Å; A38-V75 HydrophobicContact CB-CG1 4.09Å; A38-Y77 HydrophobicContact CB-CE1 4.27Å
39C92.4Very high92.3Very high58 Ų5857.2 Ų57.239%0.39234%0.338SS..  trans-113.6-0.6-18067.40000113.6G37 L56 N76 P78G37-C39 PolarHBondContact O-N 3.13Å; C39-L56 VanDerWaalsContact O-CD2 3.31Å; C39-L56 WeakPolarHBondContact O-CD2 3.46Å; C39-N76 PolarHBondContact N-O 3.42Å; C39-N76 PolarHBondContact SG-O 3.27Å; C39-P78 VanDerWaalsContact SG-N 3.42Å
40G94.1Very high92.2Very high9 Ų957.2 Ų57.29%0.09334%0.337CS..EExtended strand (participates in β ladder)trans169.4-176.6175.200000112.1N76G40-N76 PolarHBondContact O-N 3.08Å
41L95.5Very high92.1Very high3 Ų359.1 Ų59.12%0.01634%0.344CS..EExtended strand (participates in β ladder)trans-126.6152.5-179.7-62.8-177.8000111.1I5 V7 V31 V54 L61 V75I5-L41 HydrophobicContact CD1-CD1 3.78Å; V7-L41 HydrophobicContact CG1-CD2 3.8Å; V7-L41 HydrophobicContact CG2-CD1 4.34Å; V31-L41 HydrophobicContact CG1-CD2 4.05Å; V31-L41 HydrophobicContact CG2-CD1 4.3Å; L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.71Å; L41-V54 PolarHBondContact O-N 2.86Å; L41-L61 HydrophobicContact CD1-CD1 3.75Å; L41-L61 HydrophobicContact CG-CD1 4.01Å; L41-L61 HydrophobicContact CG-CD2 4.44Å; L41-V75 HydrophobicContact CD2-CB 4.3Å; L41-V75 HydrophobicContact CD2-CG1 3.56Å
42R95.1Very high92Very high94 Ų9464.4 Ų64.436%0.35536%0.364SS..EExtended strand (participates in β ladder)trans-137.8157.7168.158.9179.9177.1134.98.5109.8M51 R52 Y73 V74 N76R42-M51 HydrophobicContact CB-CE 4.26Å; R42-M51 HydrophobicContact CG-CE 3.66Å; R42-R52 CarbonylContact C-O 3.51Å; R42-R52 VanDerWaalsContact CA-O 3.23Å; R42-R52 WeakPolarHBondContact CA-O 3.11Å; R42-R52 WeakPolarHBondContact CB-O 3.38Å; R42-Y73 CarbonylContact O-C 3.48Å; R42-Y73 WeakPolarHBondContact O-CA 3.21Å; R42-V74 HydrophobicContact CG-CB 4.17Å; R42-V74 PolarHBondContact N-O 2.75Å; R42-V74 PolarHBondContact O-N 2.92Å; R42-N76 WeakPolarHBondContact CD-OD1 3.4Å; R42-N76 WeakPolarHBondContact CG-OD1 3.44Å; R42-N76 PolarHBondContact NE-OD1 2.85Å
43Y94.1Very high92.1Very high10 Ų1064.9 Ų64.94%0.03938%0.379CS..EExtended strand (participates in β ladder)trans-140.5160.6177.268.4-79.7000110.3M51 R52 V54 P64 L71 Y73Y43-M51 CarbonylContact O-C 3.58Å; Y43-M51 WeakPolarHBondContact O-CA 3.47Å; Y43-R52 HydrophobicContact CD1-CB 4.21Å; Y43-R52 VanDerWaalsContact CD1-O 3.31Å; Y43-R52 WeakPolarHBondContact CD1-O 3.49Å; Y43-R52 HydrophobicContact CE1-CB 3.77Å; Y43-R52 HydrophobicContact CE1-CG 3.72Å; Y43-R52 HydrophobicContact CE2-CB 4.31Å; Y43-R52 PolarHBondContact N-O 2.88Å; Y43-R52 PolarHBondContact O-N 2.99Å; Y43-R52 WeakPolarHBondContact OH-CD 3.24Å; Y43-R52 PolarHBondContact OH-NE 2.64Å; Y43-V54 HydrophobicContact CD1-CG2 4.03Å; Y43-V54 HydrophobicContact CE1-CG2 4.5Å; Y43-P64 HydrophobicContact CE1-CG 3.78Å; Y43-P64 WeakPolarHBondContact OH-CG 3.36Å; Y43-L71 HydrophobicContact CD2-CD1 3.63Å; Y43-L71 HydrophobicContact CE2-CD1 3.72Å; Y43-Y73 HydrophobicContact CD1-CD1 4.12Å; Y43-Y73 AromaticContact CD1-CE1 3.6Å; Y43-Y73 HydrophobicContact CD1-CE1 3.6Å; Y43-Y73 HydrophobicContact CE1-CE1 4.38Å; Y43-Y73 HydrophobicContact CG-CD1 4.18Å; Y43-Y73 AromaticContact CG-CE1 3.73Å; Y43-Y73 HydrophobicContact CG-CE1 3.73Å
44R92.6Very high92.2Very high117 Ų11762.3 Ų62.344%0.44236%0.356SS..EExtended strand (participates in β ladder)trans-86.7122.2174.6-164.5163.7-168.4147.41.3110.1E11 P46 Q49 M51E11-R44 IonicContact OE1-NH1 3.97Å; R44-P46 WeakPolarHBondContact O-CD 3.31Å; R44-Q49 PolarHBondContact NE-O 3.36Å; R44-M51 HydrophobicContact CB-SD 4.08Å; R44-M51 HydrophobicContact CG-SD 4.35Å
45N91.3Very high92.4Very high30 Ų3065.6 Ų65.616%0.1636%0.364CS..  trans-69.8120.9175.5-178.6-8.7000109.4V47 S48 Q49 C50N45-V47 PolarHBondContact O-N 2.92Å; N45-V47 PolarHBondContact OD1-N 3.02Å; N45-V47 VanDerWaalsContact OD1-N 3.07Å; N45-S48 WeakPolarHBondContact CB-OG 3.49Å; N45-S48 PolarHBondContact ND2-OG 3.29Å; N45-Q49 VanDerWaalsContact O-CA 3.24Å; N45-Q49 WeakPolarHBondContact O-CA 3.23Å; N45-Q49 PolarHBondContact O-N 2.92Å; N45-C50 PolarHBondContact N-O 3.1Å
46P89.1Confident92.5Very high80 Ų8068.3 Ų68.352%0.51938%0.378SS..THydrogen-bonded Turntrans-63-29.5-177.124.8-34.5000113R44 Q49 L71R44-P46 WeakPolarHBondContact O-CD 3.31Å; P46-Q49 PolarHBondContact O-NE2 2.99Å; P46-L71 HydrophobicContact CG-CD2 4.43Å
47V89.9Confident92.7Very high131 Ų13166.6 Ų66.679%0.79437%0.366SS*.THydrogen-bonded Turntrans-80.8-54.2-178-177.60000111.3N45N45-V47 PolarHBondContact O-N 2.92Å; N45-V47 PolarHBondContact OD1-N 3.02Å; N45-V47 VanDerWaalsContact OD1-N 3.07Å
48S91.3Very high92.9Very high60 Ų6073.5 Ų73.542%0.4239%0.385SS..THydrogen-bonded Turntrans-88.7-10.4-173.976.90000113.9N45 C50N45-S48 WeakPolarHBondContact CB-OG 3.49Å; N45-S48 PolarHBondContact ND2-OG 3.29Å; S48-C50 PolarHBondContact O-N 2.88Å; S48-C50 PolarHBondContact O-SG 3.29Å; S48-C50 VanDerWaalsContact O-SG 3.35Å; S48-C50 PolarHBondContact OG-N 2.83Å
49Q89.7Confident92.8Very high105 Ų10574.5 Ų74.549%0.49140%0.396SS..  trans58.710.6-173.6-64.8-64.9-47.900114.8R44 N45 P46R44-Q49 PolarHBondContact NE-O 3.36Å; N45-Q49 VanDerWaalsContact O-CA 3.24Å; N45-Q49 WeakPolarHBondContact O-CA 3.23Å; N45-Q49 PolarHBondContact O-N 2.92Å; P46-Q49 PolarHBondContact O-NE2 2.99Å
50C90.3Very high92.9Very high73 Ų7374.4 Ų74.449%0.49339%0.391SS..  trans-88.1151.1177.2-54.20000111.2N45 S48 R52N45-C50 PolarHBondContact N-O 3.1Å; S48-C50 PolarHBondContact O-N 2.88Å; S48-C50 PolarHBondContact O-SG 3.29Å; S48-C50 VanDerWaalsContact O-SG 3.35Å; S48-C50 PolarHBondContact OG-N 2.83Å; C50-R52 PolarHBondContact O-N 3.22Å
51M91.9Very high93Very high73 Ų7374 Ų7436%0.3639%0.387SS..EExtended strand (participates in β ladder)trans-70125.7166.1-63.5-55.4-72.500109.6R42 Y43 R44R42-M51 HydrophobicContact CB-CE 4.26Å; R42-M51 HydrophobicContact CG-CE 3.66Å; Y43-M51 CarbonylContact O-C 3.58Å; Y43-M51 WeakPolarHBondContact O-CA 3.47Å; R44-M51 HydrophobicContact CB-SD 4.08Å; R44-M51 HydrophobicContact CG-SD 4.35Å
52R93.7Very high93Very high111 Ų11177.1 Ų77.142%0.41940%0.401SS..EExtended strand (participates in β ladder)trans-116.1131.1178.6-174.2160.5174.1-171.82.4109.2R42 Y43 C50 D65R42-R52 CarbonylContact C-O 3.51Å; R42-R52 VanDerWaalsContact CA-O 3.23Å; R42-R52 WeakPolarHBondContact CA-O 3.11Å; R42-R52 WeakPolarHBondContact CB-O 3.38Å; Y43-R52 HydrophobicContact CD1-CB 4.21Å; Y43-R52 VanDerWaalsContact CD1-O 3.31Å; Y43-R52 WeakPolarHBondContact CD1-O 3.49Å; Y43-R52 HydrophobicContact CE1-CB 3.77Å; Y43-R52 HydrophobicContact CE1-CG 3.72Å; Y43-R52 HydrophobicContact CE2-CB 4.31Å; Y43-R52 PolarHBondContact N-O 2.88Å; Y43-R52 PolarHBondContact O-N 2.99Å; Y43-R52 WeakPolarHBondContact OH-CD 3.24Å; Y43-R52 PolarHBondContact OH-NE 2.64Å; C50-R52 PolarHBondContact O-N 3.22Å; R52-D65 IonicContact NH2-OD2 3.88Å
53G94.3Very high92.9Very high58 Ų5874.4 Ų74.460%0.59840%0.399SS*.EExtended strand (participates in β ladder)trans-75147.2176.400000111.6
54V96Very high92.8Very high18 Ų1874.9 Ų74.911%0.10940%0.404CS..PPolyproline II helixtrans-85.2138.3167.4179.70000108.6L41 Y43 L56 L61 H62 W68 Y73L41-V54 HydrophobicContact CB-CB 3.96Å; L41-V54 HydrophobicContact CB-CG2 3.71Å; L41-V54 PolarHBondContact O-N 2.86Å; Y43-V54 HydrophobicContact CD1-CG2 4.03Å; Y43-V54 HydrophobicContact CE1-CG2 4.5Å; V54-L56 PolarHBondContact O-N 2.74Å; V54-L61 HydrophobicContact CB-CD2 4.42Å; V54-L61 HydrophobicContact CG1-CB 4.1Å; V54-L61 HydrophobicContact CG1-CD2 3.93Å; V54-H62 WeakPolarHBondContact CG1-O 3.22Å; V54-W68 HydrophobicContact CG1-CH2 3.56Å; V54-W68 HydrophobicContact CG1-CZ3 3.77Å; V54-W68 HydrophobicContact CG2-CZ3 4.16Å; V54-Y73 HydrophobicContact CG2-CD1 3.57Å; V54-Y73 HydrophobicContact CG2-CE1 3.66Å
55R96.3Very high92.5Very high181 Ų18176.9 Ų76.968%0.68342%0.423SS*.EExtended strand (participates in β ladder)trans-70.4127.8179.1174.8-178.4-69.6-116.62.8109.2V57 L61 H62R55-V57 HydrophobicContact CG-CG2 4.08Å; R55-L61 CarbonylContact O-C 3.46Å; R55-L61 WeakPolarHBondContact O-CA 3.47Å; R55-H62 HydrophobicContact CB-CB 4.23Å; R55-H62 HydrophobicContact CG-CB 4.35Å; R55-H62 PolarHBondContact O-N 3.39Å
56L94.4Very high92.3Very high67 Ų6780.2 Ų80.235%0.35146%0.455SS..EExtended strand (participates in β ladder)trans-119.2123.9175.7176.664.9000109.3L28 C39 V54 I60 L61L28-L56 HydrophobicContact CB-CD1 4.23Å; L28-L56 HydrophobicContact CD2-CD1 4.26Å; L28-L56 HydrophobicContact CD2-CD2 4.11Å; C39-L56 VanDerWaalsContact O-CD2 3.31Å; C39-L56 WeakPolarHBondContact O-CD2 3.46Å; V54-L56 PolarHBondContact O-N 2.74Å; L56-I60 WeakPolarHBondContact CA-O 3.37Å; L56-L61 HydrophobicContact CB-CD2 4.03Å; L56-L61 HydrophobicContact CD1-CD2 3.82Å; L56-L61 HydrophobicContact CD1-CG 3.99Å; L56-L61 HydrophobicContact CG-CD2 4.43Å
57V94.4Very high92.4Very high67 Ų6777.9 Ų77.941%0.40645%0.445SS..EExtended strand (participates in β ladder)trans-134.5120.5176.7-178.30000108.2R55 G59 I60R55-V57 HydrophobicContact CG-CG2 4.08Å; V57-G59 PolarHBondContact O-N 2.78Å; V57-G59 VanDerWaalsContact O-N 3.08Å; V57-I60 PolarHBondContact N-O 3.35Å; V57-I60 WeakPolarHBondContact O-CA 3.31Å; V57-I60 WeakPolarHBondContact O-CB 3.45Å; V57-I60 PolarHBondContact O-N 2.87Å
58E92.7Very high92.4Very high192 Ų19272.2 Ų72.290%0.89741%0.41SS*.THydrogen-bonded Turntrans51.434.8177.4-59.2-169144.800115I60E58-I60 VanDerWaalsContact C-N 3.33Å
59G90.1Very high92.3Very high28 Ų2871.8 Ų71.829%0.28942%0.415SS..THydrogen-bonded Turntrans853.2-178.500000114.4L28 V57L28-G59 WeakPolarHBondContact CB-O 3.44Å; L28-G59 PolarHBondContact N-O 3.47Å; V57-G59 PolarHBondContact O-N 2.78Å; V57-G59 VanDerWaalsContact O-N 3.08Å
60I94.9Very high92.3Very high55 Ų5573.3 Ų73.328%0.28243%0.426SS..EExtended strand (participates in β ladder)trans-105.5122.3178.2-53.6175.2000109.1T25 L27 L56 V57 E58T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.78Å; T25-I60 WeakPolarHBondContact OG1-CG2 3.19Å; L27-I60 HydrophobicContact CD2-CG1 4.03Å; L56-I60 WeakPolarHBondContact CA-O 3.37Å; V57-I60 PolarHBondContact N-O 3.35Å; V57-I60 WeakPolarHBondContact O-CA 3.31Å; V57-I60 WeakPolarHBondContact O-CB 3.45Å; V57-I60 PolarHBondContact O-N 2.87Å; E58-I60 VanDerWaalsContact C-N 3.33Å
61L95.9Very high92.3Very high0 Ų072.1 Ų72.10%042%0.415CS..EExtended strand (participates in β ladder)trans-89119.5174.9-63.9156.8000109T25 V26 L28 V31 L41 V54 R55 L56 W68T25-L61 WeakPolarHBondContact CA-O 3.48Å; T25-L61 WeakPolarHBondContact CB-O 3.17Å; V26-L61 HydrophobicContact CB-CB 4.26Å; V26-L61 HydrophobicContact CG1-CD1 4.35Å; V26-L61 PolarHBondContact N-O 3.1Å; V26-L61 WeakPolarHBondContact O-CA 3.5Å; V26-L61 WeakPolarHBondContact O-CB 3.17Å; V26-L61 PolarHBondContact O-N 3.31Å; L28-L61 HydrophobicContact CD1-CD1 4.41Å; V31-L61 HydrophobicContact CG2-CD1 3.78Å; L41-L61 HydrophobicContact CD1-CD1 3.75Å; L41-L61 HydrophobicContact CG-CD1 4.01Å; L41-L61 HydrophobicContact CG-CD2 4.44Å; V54-L61 HydrophobicContact CB-CD2 4.42Å; V54-L61 HydrophobicContact CG1-CB 4.1Å; V54-L61 HydrophobicContact CG1-CD2 3.93Å; R55-L61 CarbonylContact O-C 3.46Å; R55-L61 WeakPolarHBondContact O-CA 3.47Å; L56-L61 HydrophobicContact CB-CD2 4.03Å; L56-L61 HydrophobicContact CD1-CD2 3.82Å; L56-L61 HydrophobicContact CD1-CG 3.99Å; L56-L61 HydrophobicContact CG-CD2 4.43Å; L61-W68 HydrophobicContact CB-CH2 4.01Å; L61-W68 HydrophobicContact CB-CZ2 4.46Å
62H95.5Very high92.4Very high69 Ų6971.4 Ų71.432%0.31941%0.414SS..EExtended strand (participates in β ladder)trans-94.7135.1179.1-69-91.8000110.9V54 R55V54-H62 WeakPolarHBondContact CG1-O 3.22Å; R55-H62 HydrophobicContact CB-CB 4.23Å; R55-H62 HydrophobicContact CG-CB 4.35Å; R55-H62 PolarHBondContact O-N 3.39Å
63A93.3Very high92.4Very high38 Ų3866.1 Ų66.131%0.31439%0.394SS..PPolyproline II helixtrans-57.8148.6174.600000111.4W68A63-W68 HydrophobicContact CB-CD2 3.98Å; A63-W68 HydrophobicContact CB-CG 4.1Å; A63-W68 HydrophobicContact CB-CZ2 4.13Å
64P90.8Very high92.5Very high20 Ų2063.7 Ų63.713%0.1337%0.368CS..PPolyproline II helixtrans-57.8164165.5-22.133.3000112.3Y43 A66 G67Y43-P64 HydrophobicContact CE1-CG 3.78Å; Y43-P64 WeakPolarHBondContact OH-CG 3.36Å; P64-A66 PolarHBondContact O-N 2.69Å; P64-G67 WeakPolarHBondContact O-CA 3.43Å; P64-G67 PolarHBondContact O-N 2.75Å
65D87Confident92.4Very high158 Ų15863.1 Ų63.185%0.84536%0.364SS*.THydrogen-bonded Turntrans-57.6-23.8178.8-50-52.4000113.4R52R52-D65 IonicContact NH2-OD2 3.88Å
66A86.6Confident92.2Very high101 Ų10156.8 Ų56.884%0.83534%0.344SS*.THydrogen-bonded Turntrans-90.75.1176.500000113.8P64P64-A66 PolarHBondContact O-N 2.69Å
67G90.4Very high92Very high31 Ų3158.2 Ų58.232%0.3235%0.345SS..  trans78.7-179.8-17100000113.4P64P64-G67 WeakPolarHBondContact O-CA 3.43Å; P64-G67 PolarHBondContact O-N 2.75Å
68W91.6Very high91.7Very high12 Ų1258.6 Ų58.65%0.04535%0.35CS..SBendtrans-69.8-41.1178-65.5111.3000112.5I5 G24 V26 V54 L61 A63 Y73I5-W68 HydrophobicContact CB-CE3 4.49Å; I5-W68 HydrophobicContact CD1-CE3 4.4Å; I5-W68 HydrophobicContact CD1-CZ3 4.22Å; I5-W68 HydrophobicContact CG2-CB 3.68Å; I5-W68 HydrophobicContact CG2-CD2 3.44Å; I5-W68 VanDerWaalsContact CG2-CD2 3.44Å; I5-W68 HydrophobicContact CG2-CE3 3.81Å; I5-W68 HydrophobicContact CG2-CG 3.36Å; G24-W68 PolarHBondContact O-NE1 3.5Å; V26-W68 HydrophobicContact CB-CZ2 4.11Å; V26-W68 HydrophobicContact CG2-CH2 4.34Å; V26-W68 HydrophobicContact CG2-CZ2 3.7Å; V54-W68 HydrophobicContact CG1-CH2 3.56Å; V54-W68 HydrophobicContact CG1-CZ3 3.77Å; V54-W68 HydrophobicContact CG2-CZ3 4.16Å; L61-W68 HydrophobicContact CB-CH2 4.01Å; L61-W68 HydrophobicContact CB-CZ2 4.46Å; A63-W68 HydrophobicContact CB-CD2 3.98Å; A63-W68 HydrophobicContact CB-CG 4.1Å; A63-W68 HydrophobicContact CB-CZ2 4.13Å; W68-Y73 WeakPolarHBondContact CA-OH 3.31Å; W68-Y73 HydrophobicContact CE3-CD1 4.39Å; W68-Y73 HydrophobicContact CE3-CD2 4.49Å; W68-Y73 AromaticContact CE3-CE1 3.71Å; W68-Y73 HydrophobicContact CE3-CE1 3.71Å; W68-Y73 AromaticContact CE3-CE2 3.84Å; W68-Y73 HydrophobicContact CE3-CE2 3.84Å; W68-Y73 AromaticContact CE3-CZ 3.43Å; W68-Y73 VanDerWaalsContact CE3-CZ 3.43Å; W68-Y73 HydrophobicContact CZ3-CD1 4.15Å; W68-Y73 AromaticContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE1 3.74Å; W68-Y73 AromaticContact CZ3-CZ 3.98Å; W68-Y73 PolarHBondContact O-OH 3.35Å
69G88.4Confident90.9Very high51 Ų5158.8 Ų58.853%0.52635%0.347SS..THydrogen-bonded Turntrans55.4-164.5-178.900000113.6L71G69-L71 PolarHBondContact O-N 2.72Å; G69-L71 VanDerWaalsContact O-N 3.14Å
70N89.2Confident89.5Confident137 Ų13764.4 Ų64.473%0.73337%0.371SS*.THydrogen-bonded Turntrans-87.640.7176.3-68.2-22.2000111.5R6R6-N70 VanDerWaalsContact NH2-C 3.32Å; R6-N70 PolarHBondContact NH2-O 3.01Å
71L90.8Very high87.2Confident48 Ų4867.5 Ų67.525%0.25139%0.388SS..PPolyproline II helixtrans-88.6155.3176.4-60.7175.3000110.5Y43 P46 G69 Y73Y43-L71 HydrophobicContact CD2-CD1 3.63Å; Y43-L71 HydrophobicContact CE2-CD1 3.72Å; P46-L71 HydrophobicContact CG-CD2 4.43Å; G69-L71 PolarHBondContact O-N 2.72Å; G69-L71 VanDerWaalsContact O-N 3.14Å; L71-Y73 HydrophobicContact CB-CE2 3.87Å
72V93.1Very high84.8Confident57 Ų5776.3 Ų76.335%0.34543%0.426SS..EExtended strand (participates in β ladder)trans-99.2126.6171.9-179.20000108.1T8 P15T8-V72 HydrophobicContact CG2-CG1 3.59Å; P15-V72 HydrophobicContact CB-CG1 4.23Å
73Y95.1Very high82.5Confident0 Ų082.7 Ų82.70%045%0.448CS..EExtended strand (participates in β ladder)trans-103.4132.9-179.6-65.7-92.8000109.3R6 V7 T8 R42 Y43 V54 W68 L71R6-Y73 PolarHBondContact O-N 2.74Å; V7-Y73 CarbonylContact C-O 3.59Å; V7-Y73 VanDerWaalsContact CA-O 3.25Å; V7-Y73 WeakPolarHBondContact CA-O 3.3Å; T8-Y73 PolarHBondContact N-O 3.29Å; R42-Y73 CarbonylContact O-C 3.48Å; R42-Y73 WeakPolarHBondContact O-CA 3.21Å; Y43-Y73 HydrophobicContact CD1-CD1 4.12Å; Y43-Y73 AromaticContact CD1-CE1 3.6Å; Y43-Y73 HydrophobicContact CD1-CE1 3.6Å; Y43-Y73 HydrophobicContact CE1-CE1 4.38Å; Y43-Y73 HydrophobicContact CG-CD1 4.18Å; Y43-Y73 AromaticContact CG-CE1 3.73Å; Y43-Y73 HydrophobicContact CG-CE1 3.73Å; V54-Y73 HydrophobicContact CG2-CD1 3.57Å; V54-Y73 HydrophobicContact CG2-CE1 3.66Å; W68-Y73 WeakPolarHBondContact CA-OH 3.31Å; W68-Y73 HydrophobicContact CE3-CD1 4.39Å; W68-Y73 HydrophobicContact CE3-CD2 4.49Å; W68-Y73 AromaticContact CE3-CE1 3.71Å; W68-Y73 HydrophobicContact CE3-CE1 3.71Å; W68-Y73 AromaticContact CE3-CE2 3.84Å; W68-Y73 HydrophobicContact CE3-CE2 3.84Å; W68-Y73 AromaticContact CE3-CZ 3.43Å; W68-Y73 VanDerWaalsContact CE3-CZ 3.43Å; W68-Y73 HydrophobicContact CZ3-CD1 4.15Å; W68-Y73 AromaticContact CZ3-CE1 3.74Å; W68-Y73 HydrophobicContact CZ3-CE1 3.74Å; W68-Y73 AromaticContact CZ3-CZ 3.98Å; W68-Y73 PolarHBondContact O-OH 3.35Å; L71-Y73 HydrophobicContact CB-CE2 3.87Å
74V95.2Very high80Confident8 Ų890.3 Ų90.35%0.04847%0.474CS..EExtended strand (participates in β ladder)trans-102.5129.2178.9-175.40000108.8T8 E9 E11 R42T8-V74 HydrophobicContact CG2-CG2 4.11Å; T8-V74 CarbonylContact O-C 3.48Å; T8-V74 VanDerWaalsContact O-CA 3.29Å; T8-V74 WeakPolarHBondContact O-CA 3.12Å; E9-V74 WeakPolarHBondContact O-CG1 3.4Å; E11-V74 HydrophobicContact CG-CG2 4.26Å; R42-V74 HydrophobicContact CG-CB 4.17Å; R42-V74 PolarHBondContact N-O 2.75Å; R42-V74 PolarHBondContact O-N 2.92Å
75V95.3Very high77.6Confident5 Ų598 Ų983%0.0351%0.51CS..EExtended strand (participates in β ladder)trans-67.5142.7174.8-710000111.5V7 T8 E9 V31 F35 A38 L41 Y77V7-V75 HydrophobicContact CG1-CG1 3.57Å; T8-V75 PolarHBondContact O-N 2.84Å; E9-V75 HydrophobicContact CB-CG2 3.98Å; V31-V75 HydrophobicContact CG1-CG1 3.87Å; F35-V75 HydrophobicContact CB-CG1 3.98Å; F35-V75 HydrophobicContact CB-CG2 4.48Å; F35-V75 HydrophobicContact CD1-CG1 4.34Å; F35-V75 HydrophobicContact CD1-CG2 4.15Å; F35-V75 HydrophobicContact CD2-CG1 3.91Å; F35-V75 HydrophobicContact CG-CG1 3.81Å; F35-V75 HydrophobicContact CG-CG2 4.34Å; A38-V75 HydrophobicContact CB-CB 4.17Å; A38-V75 HydrophobicContact CB-CG1 4.09Å; L41-V75 HydrophobicContact CD2-CB 4.3Å; L41-V75 HydrophobicContact CD2-CG1 3.56Å; V75-Y77 HydrophobicContact CB-CE2 4.47Å; V75-Y77 HydrophobicContact CG2-CD2 4.41Å; V75-Y77 HydrophobicContact CG2-CE2 3.55Å
76N92.2Very high75.4Confident49 Ų4997.2 Ų97.226%0.26251%0.506SS..EExtended strand (participates in β ladder)trans-104.6128.8169.6-65.2-38.9000108.5C39 G40 R42C39-N76 PolarHBondContact N-O 3.42Å; C39-N76 PolarHBondContact SG-O 3.27Å; G40-N76 PolarHBondContact O-N 3.08Å; R42-N76 WeakPolarHBondContact CD-OD1 3.4Å; R42-N76 WeakPolarHBondContact CG-OD1 3.44Å; R42-N76 PolarHBondContact NE-OD1 2.85Å
77Y90.2Very high73.4Confident96 Ų96101.5 Ų101.538%0.37651%0.509SS..  trans-97.6144168.5-63.1-75.5000109.3P36 A38 V75 K79P36-Y77 WeakPolarHBondContact O-CE1 3.49Å; A38-Y77 HydrophobicContact CB-CE1 4.27Å; V75-Y77 HydrophobicContact CB-CE2 4.47Å; V75-Y77 HydrophobicContact CG2-CD2 4.41Å; V75-Y77 HydrophobicContact CG2-CE2 3.55Å; Y77-K79 PolarHBondContact O-N 3.43Å; Y77-K79 VanDerWaalsContact O-N 3.1Å
78P86.5Confident71.1Confident76 Ų76105.5 Ų105.549%0.49453%0.527SS..  trans-57.3123167.425-29.1000106.6G37 C39 D80G37-P78 WeakPolarHBondContact O-CD 3.36Å; C39-P78 VanDerWaalsContact SG-N 3.42Å; P78-D80 PolarHBondContact O-N 3.01Å
79K77.8Confident68.5Low195 Ų195112.2 Ų112.285%0.84856%0.564SS**  trans-63110.6165.8-75.6-176.2177.8-179.10105.1Y77 N81Y77-K79 PolarHBondContact O-N 3.43Å; Y77-K79 VanDerWaalsContact O-N 3.1Å; K79-N81 PolarHBondContact O-N 2.8Å
80D59.7Low66.4Low146 Ų146113.9 Ų113.978%0.78157%0.572SS**  trans-53.298162.4-102.5-74.5000105.8P78 K82P78-D80 PolarHBondContact O-N 3.01Å; D80-K82 PolarHBondContact O-N 3.1Å
81N47.6Very low63.9Low120 Ų120112.7 Ų112.764%0.64258%0.575SS**  trans-73.474165.7-135.549.9000103.6K79 R83K79-N81 PolarHBondContact O-N 2.8Å; N81-R83 PolarHBondContact O-N 2.95Å
82K45.4Very low61.7Low185 Ų185116.3 Ų116.380%0.80460%0.604SS**  trans-67.460.5171.6-158.3175.2-170167.90107D80 K84D80-K82 PolarHBondContact O-N 3.1Å; K82-K84 VanDerWaalsContact C-N 3.27Å; K82-K84 PolarHBondContact O-N 2.94Å
83R46.8Very low59.5Low204 Ų204118.3 Ų118.377%0.7763%0.627SS**  trans-57.1108.2149-67.3-175.6-169.4167.72.8102.2N81 M85N81-R83 PolarHBondContact O-N 2.95Å; R83-M85 PolarHBondContact O-N 3.24Å
84K40.4Very low57.1Low198 Ų198124.2 Ų124.286%0.86166%0.662SS**  trans-46.996.3163.8-80176.6170.1-179.10106.5K82 D86K82-K84 VanDerWaalsContact C-N 3.27Å; K82-K84 PolarHBondContact O-N 2.94Å; K84-D86 PolarHBondContact O-N 2.83Å
85M41.1Very low54.6Low180 Ų180133.8 Ų133.889%0.88770%0.704SS**  trans-71.8106.8154.3-86.6175.171.400103.2R83 E87R83-M85 PolarHBondContact O-N 3.24Å; M85-E87 PolarHBondContact O-N 3.41Å
86D39.7Very low52.2Low143 Ų143138.9 Ų138.977%0.76573%0.734SS**  trans-58.9127.3166.7-159.8-114.7000107.1K84 T88K84-D86 PolarHBondContact O-N 2.83Å; D86-T88 PolarHBondContact O-N 2.76Å; D86-T88 VanDerWaalsContact O-N 3.1Å
87E45.7Very low49.8Very low191 Ų191146 Ų14689%0.89376%0.763SS**  trans-70102.4-176.5-152.2-169.7128.600107.9M85M85-E87 PolarHBondContact O-N 3.41Å
88T41.1Very low47.6Very low115 Ų115152.7 Ų152.771%0.70679%0.788SS**  trans-142.2109.4161.9-47.90000110.4D86D86-T88 PolarHBondContact O-N 2.76Å; D86-T88 VanDerWaalsContact O-N 3.1Å
89D38.4Very low45.4Very low152 Ų152152.7 Ų152.781%0.81379%0.794SS**  trans67.9101.8157.2-118.7-108.5000120
90A43.8Very low43.9Very low86 Ų86150.2 Ų150.271%0.71180%0.795SS**  trans-67.3126156.700000110.3
91S36.9Very low43.4Very low113 Ų113149.6 Ų149.679%0.7979%0.787SS**  trans164.8103.4130.2-77.40000111.6
92S42.9Very low43.5Very low123 Ų123153.2 Ų153.286%0.8680%0.797SS**  171120.2121.543.40000109.6V94S92-V94 PolarHBondContact O-N 3.44Å
93A48.4Very low43.9Very low99 Ų99148.9 Ų148.982%0.81879%0.786SS**  trans-68.8115.7177.900000110.9
94V43.8Very low45.1Very low124 Ų124144.1 Ų144.175%0.75278%0.784SS**  trans-142.2100.5138.4-172.20000107.3S92 V96S92-V94 PolarHBondContact O-N 3.44Å; V94-V96 HydrophobicContact CG1-CG2 3.92Å; V94-V96 PolarHBondContact O-N 2.99Å
95K44.1Very low47.1Very low210 Ų210140.9 Ų140.991%0.91378%0.777SS**  trans-67.680.6166.3-76.7178.5176177.40108.6K97K95-K97 PolarHBondContact O-N 3.07Å
96V44.3Very low49.3Very low112 Ų112137.1 Ų137.168%0.67976%0.759SS**  trans-75.5118.3153.6-178.60000105.4V94 R98V94-V96 HydrophobicContact CG1-CG2 3.92Å; V94-V96 PolarHBondContact O-N 2.99Å; V96-R98 PolarHBondContact O-N 3.19Å
97K41.6Very low51.7Low199 Ų199135 Ų13587%0.86575%0.747SS**  trans-54.891171.3-65.7176.2177.8179.20107.9K95 A99K95-K97 PolarHBondContact O-N 3.07Å; K97-A99 PolarHBondContact O-N 2.86Å
98R43.4Very low53.8Low236 Ų236127.4 Ų127.489%0.89171%0.713SS**  trans-66.892.4160.6-81.4-177176.4162.4-0.9104.6V96 V100V96-R98 PolarHBondContact O-N 3.19Å; R98-V100 PolarHBondContact O-N 3.39Å
99A41.5Very low56.3Low75 Ų75127.8 Ų127.862%0.6271%0.711SS**  trans-41134.1151.800000106.1K97 Q101K97-A99 PolarHBondContact O-N 2.86Å; A99-Q101 PolarHBondContact O-N 3.24Å
100V45.9Very low58.8Low144 Ų144124 Ų12487%0.87371%0.707SS**  trans-64.973.7170-179.20000106.2R98 K102R98-V100 PolarHBondContact O-N 3.39Å; V100-K102 PolarHBondContact O-N 3.02Å
101Q48.9Very low61Low133 Ų133120.8 Ų120.862%0.62168%0.678SS**  trans-62120.7155.9-80-169.9-39.300103.3A99 T103A99-Q101 PolarHBondContact O-N 3.24Å; Q101-T103 VanDerWaalsContact C-N 3.26Å; Q101-T103 PolarHBondContact O-N 2.9Å
102K49.4Very low63.6Low195 Ų195118.6 Ų118.685%0.84866%0.661SS**  trans-49.4101.7163.7-71.4174.3176.4177.70105.9V100 S104V100-K102 PolarHBondContact O-N 3.02Å; K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.48Å
103T53.6Low65.7Low95 Ų95122 Ų12258%0.58366%0.655SS**  trans-73.299.5171.658.30000104.3Q101 D105Q101-T103 VanDerWaalsContact C-N 3.26Å; Q101-T103 PolarHBondContact O-N 2.9Å; T103-D105 VanDerWaalsContact CB-OD1 3.22Å; T103-D105 WeakPolarHBondContact CB-OD1 3.44Å; T103-D105 PolarHBondContact O-N 3.27Å; T103-D105 PolarHBondContact OG1-OD1 3.33Å
104S71.3Confident67.6Low104 Ų104126 Ų12673%0.72765%0.654SS**  trans-70.976167.9-64.30000106.6K102 L106K102-S104 VanDerWaalsContact C-N 3.3Å; K102-S104 PolarHBondContact O-N 3.48Å; S104-L106 PolarHBondContact O-N 2.64Å
105D83.6Confident69.8Low130 Ų130121.2 Ų121.270%0.69563%0.625SS**  trans-64121.5175.1-67.70.9000107.5T103T103-D105 VanDerWaalsContact CB-OD1 3.22Å; T103-D105 WeakPolarHBondContact CB-OD1 3.44Å; T103-D105 PolarHBondContact O-N 3.27Å; T103-D105 PolarHBondContact OG1-OD1 3.33Å
106L86.3Confident72Confident100 Ų100114.1 Ų114.152%0.52460%0.599SS.*  trans-99.9142.5176.9-64.2175.1000108.7S104 F149S104-L106 PolarHBondContact O-N 2.64Å; L106-F149 WeakPolarHBondContact O-CA 3.29Å
107I90.6Very high74.2Confident100 Ų100112.6 Ų112.651%0.51359%0.585SS.*  trans-109.9127.4167.7-172.5171000108.6L109 F149I107-L109 HydrophobicContact CD1-CD2 3.89Å; I107-L109 HydrophobicContact CG1-CD2 4Å; I107-L109 HydrophobicContact CG1-CG 4.41Å; I107-F149 HydrophobicContact CB-CD1 4.35Å; I107-F149 HydrophobicContact CB-CE1 4.18Å; I107-F149 HydrophobicContact CD1-CE1 3.95Å; I107-F149 HydrophobicContact CD1-CZ 4.04Å; I107-F149 HydrophobicContact CG1-CD1 4.43Å; I107-F149 HydrophobicContact CG1-CE1 4.03Å; I107-F149 HydrophobicContact CG1-CZ 4.39Å
108V90.8Very high76.5Confident30 Ų30108.2 Ų108.218%0.18257%0.567CS.*EExtended strand (participates in β ladder)trans-109.8113.2179.4-166.40000108.4L111 F124 F147 G148V108-L111 HydrophobicContact CB-CD1 4.48Å; V108-L111 HydrophobicContact CB-CD2 4.38Å; V108-L111 HydrophobicContact CB-CG 4.49Å; V108-L111 HydrophobicContact CG1-CD2 3.6Å; V108-L111 HydrophobicContact CG1-CG 4.11Å; V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.84Å; V108-F147 CarbonylContact O-C 3.59Å; V108-F147 WeakPolarHBondContact O-CA 3.44Å; V108-F147 WeakPolarHBondContact O-CB 3.39Å; V108-G148 PolarHBondContact N-O 2.77Å; V108-G148 PolarHBondContact O-N 2.82Å
109L92.8Very high78.8Confident124 Ų124100.9 Ų100.965%0.64955%0.546SS*.EExtended strand (participates in β ladder)trans-101.6154.2-179.7-59.7177.8000110.6I107 F147I107-L109 HydrophobicContact CD1-CD2 3.89Å; I107-L109 HydrophobicContact CG1-CD2 4Å; I107-L109 HydrophobicContact CG1-CG 4.41Å; L109-F147 HydrophobicContact CD2-CB 3.8Å; L109-F147 HydrophobicContact CD2-CG 4.46Å
110G91.3Very high81.2Confident71 Ų7197.9 Ų97.973%0.73252%0.519SS*.SBendtrans76.226.4175.400000113.8G146G110-G146 PolarHBondContact N-O 2.8Å
111L90.4Very high83.4Confident19 Ų1995.5 Ų95.510%0.09950%0.497CS..  trans-66.9135.7176.4-65.9177.9000110.9V108 T115 L120 G146V108-L111 HydrophobicContact CB-CD1 4.48Å; V108-L111 HydrophobicContact CB-CD2 4.38Å; V108-L111 HydrophobicContact CB-CG 4.49Å; V108-L111 HydrophobicContact CG1-CD2 3.6Å; V108-L111 HydrophobicContact CG1-CG 4.11Å; L111-T115 HydrophobicContact CD2-CG2 4.34Å; L111-L120 HydrophobicContact CD1-CD1 3.79Å; L111-L120 HydrophobicContact CD1-CD2 4.16Å; L111-L120 HydrophobicContact CD1-CG 4.43Å; L111-L120 HydrophobicContact CD2-CD2 3.79Å; L111-G146 PolarHBondContact N-O 2.9Å; L111-G146 WeakPolarHBondContact O-CA 3.44Å
112P90.2Very high85.5Confident68 Ų6893.4 Ų93.444%0.44249%0.49SS..  trans-52.2144.1166-24.832.6000111.3K114 T115P112-K114 HydrophobicContact CB-CG 4.14Å; P112-K114 PolarHBondContact O-N 2.76Å; P112-K114 VanDerWaalsContact O-N 3.09Å; P112-T115 WeakPolarHBondContact CD-OG1 3.28Å; P112-T115 VanDerWaalsContact O-CB 3.27Å; P112-T115 WeakPolarHBondContact O-CB 3.42Å; P112-T115 PolarHBondContact O-N 2.79Å; P112-T115 PolarHBondContact O-OG1 2.73Å
113W86.8Confident87.5Confident195 Ų19591 Ų9174%0.73948%0.477SS*.THydrogen-bonded Turntrans-67.4-19.3-173.2-6635.5000112.9S144W113-S144 WeakPolarHBondContact O-CB 3.38Å
114K89.2Confident89.3Confident183 Ų18389.2 Ų89.280%0.79646%0.461SS*.THydrogen-bonded Turntrans-85.6-10175.564.5176.7-177.6176.10114P112 T116P112-K114 HydrophobicContact CB-CG 4.14Å; P112-K114 PolarHBondContact O-N 2.76Å; P112-K114 VanDerWaalsContact O-N 3.09Å; K114-T116 PolarHBondContact O-N 2.94Å
115T89.3Confident90.3Very high23 Ų2387 Ų8714%0.14145%0.446CS..  trans-67.3128.9-177.5-63.90000110.4L111 P112 D119 L120L111-T115 HydrophobicContact CD2-CG2 4.34Å; P112-T115 WeakPolarHBondContact CD-OG1 3.28Å; P112-T115 VanDerWaalsContact O-CB 3.27Å; P112-T115 WeakPolarHBondContact O-CB 3.42Å; P112-T115 PolarHBondContact O-N 2.79Å; P112-T115 PolarHBondContact O-OG1 2.73Å; T115-D119 HydrophobicContact CG2-CB 4.23Å; T115-L120 HydrophobicContact CG2-CD2 4.17Å; T115-L120 HydrophobicContact CG2-CG 3.96Å
116T90.1Very high90.7Very high60 Ų6085.9 Ų85.937%0.36844%0.444SS..  trans-100165.9178.668.30000111.5K114 Q118 D119 L120K114-T116 PolarHBondContact O-N 2.94Å; T116-Q118 PolarHBondContact O-N 2.81Å; T116-D119 WeakPolarHBondContact CB-OD2 3.35Å; T116-D119 PolarHBondContact N-OD2 2.95Å; T116-D119 PolarHBondContact O-N 2.85Å; T116-D119 PolarHBondContact OG1-N 2.73Å; T116-D119 PolarHBondContact OG1-OD2 2.92Å; T116-L120 PolarHBondContact O-N 2.98Å
117E90.6Very high90.8Very high80 Ų8088.4 Ų88.437%0.37445%0.451SS..Hα-helixtrans-63.3-31.7174.6-68.4164.9167.200111.6L120 K121 V133 V135E117-L120 PolarHBondContact O-N 3.06Å; E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 PolarHBondContact O-N 3.3Å; E117-V133 HydrophobicContact CB-CB 4.5Å; E117-V133 HydrophobicContact CB-CG1 4.05Å; E117-V133 HydrophobicContact CG-CG1 4.27Å; E117-V135 HydrophobicContact CG-CB 3.91Å; E117-V135 HydrophobicContact CG-CG2 3.67Å; E117-V135 PolarHBondContact OE1-N 3.43Å; E117-V135 VanDerWaalsContact OE1-N 3.1Å
118Q90.7Very high90.6Very high107 Ų10785.6 Ų85.650%0.545%0.446SS..Hα-helixtrans-66.2-45.5176.4-170.260.840.200111.1T116 L120 K121 D122T116-Q118 PolarHBondContact O-N 2.81Å; Q118-L120 VanDerWaalsContact C-N 3.28Å; Q118-L120 PolarHBondContact O-N 3.11Å; Q118-K121 PolarHBondContact O-N 2.75Å; Q118-K121 VanDerWaalsContact O-N 3.15Å; Q118-D122 VanDerWaalsContact NE2-CG 3.3Å; Q118-D122 PolarHBondContact NE2-OD1 3.36Å; Q118-D122 PolarHBondContact NE2-OD2 3.29Å; Q118-D122 VanDerWaalsContact NE2-OD2 3.09Å; Q118-D122 WeakPolarHBondContact O-CB 3.38Å; Q118-D122 VanDerWaalsContact O-CG 3.27Å; Q118-D122 PolarHBondContact O-N 3.03Å
119D91.1Very high90.4Very high82 Ų8292.6 Ų92.644%0.43948%0.477SS..Hα-helixtrans-58.5-42.1178-57.2-44.8000111.8T115 T116 Y123T115-D119 HydrophobicContact CG2-CB 4.23Å; T116-D119 WeakPolarHBondContact CB-OD2 3.35Å; T116-D119 PolarHBondContact N-OD2 2.95Å; T116-D119 PolarHBondContact O-N 2.85Å; T116-D119 PolarHBondContact OG1-N 2.73Å; T116-D119 PolarHBondContact OG1-OD2 2.92Å; D119-Y123 WeakPolarHBondContact O-CB 3.46Å; D119-Y123 PolarHBondContact O-N 2.95Å; D119-Y123 VanDerWaalsContact O-N 3.09Å
120L91.8Very high90.1Very high12 Ų1288.1 Ų88.16%0.06346%0.455CS..Hα-helixtrans-66.3-45.7176.2-75.5-178.5000111.5L111 T115 T116 E117 Q118 D122 Y123 F124 V133 V135L111-L120 HydrophobicContact CD1-CD1 3.79Å; L111-L120 HydrophobicContact CD1-CD2 4.16Å; L111-L120 HydrophobicContact CD1-CG 4.43Å; L111-L120 HydrophobicContact CD2-CD2 3.79Å; T115-L120 HydrophobicContact CG2-CD2 4.17Å; T115-L120 HydrophobicContact CG2-CG 3.96Å; T116-L120 PolarHBondContact O-N 2.98Å; E117-L120 PolarHBondContact O-N 3.06Å; Q118-L120 VanDerWaalsContact C-N 3.28Å; Q118-L120 PolarHBondContact O-N 3.11Å; L120-D122 PolarHBondContact O-N 3.25Å; L120-Y123 PolarHBondContact O-N 2.84Å; L120-F124 HydrophobicContact CD2-CE2 4.09Å; L120-F124 VanDerWaalsContact O-CD2 3.27Å; L120-F124 WeakPolarHBondContact O-CD2 3.44Å; L120-F124 PolarHBondContact O-N 2.81Å; L120-V133 HydrophobicContact CB-CG1 3.6Å; L120-V133 HydrophobicContact CD1-CG1 3.7Å; L120-V133 HydrophobicContact CG-CG1 4.32Å; L120-V135 HydrophobicContact CD1-CG2 3.63Å
121K91.8Very high89.9Confident94 Ų9490.3 Ų90.341%0.40945%0.449SS..Hα-helixtrans-60.6-46.8179.3-171175.8-178179.10111E117 Q118 Y123 F124 S125 V130 V133E117-K121 WeakPolarHBondContact O-CB 3.47Å; E117-K121 PolarHBondContact O-N 3.3Å; Q118-K121 PolarHBondContact O-N 2.75Å; Q118-K121 VanDerWaalsContact O-N 3.15Å; K121-Y123 VanDerWaalsContact C-N 3.35Å; K121-Y123 PolarHBondContact O-N 2.81Å; K121-F124 PolarHBondContact O-N 3.28Å; K121-S125 WeakPolarHBondContact O-CB 3.09Å; K121-S125 PolarHBondContact O-N 3.19Å; K121-S125 PolarHBondContact O-OG 3Å; K121-V130 HydrophobicContact CG-CB 4.3Å; K121-V130 HydrophobicContact CG-CG1 4.19Å; K121-V133 HydrophobicContact CB-CG2 3.88Å; K121-V133 HydrophobicContact CG-CG2 4.33Å
122D93.8Very high89.6Confident89 Ų8995.7 Ų95.748%0.47648%0.475SS..Hα-helixtrans-65-40.4-178.8-67.3-23000111.3Q118 L120Q118-D122 VanDerWaalsContact NE2-CG 3.3Å; Q118-D122 PolarHBondContact NE2-OD1 3.36Å; Q118-D122 PolarHBondContact NE2-OD2 3.29Å; Q118-D122 VanDerWaalsContact NE2-OD2 3.09Å; Q118-D122 WeakPolarHBondContact O-CB 3.38Å; Q118-D122 VanDerWaalsContact O-CG 3.27Å; Q118-D122 PolarHBondContact O-N 3.03Å; L120-D122 PolarHBondContact O-N 3.25Å
123Y92.2Very high89.6Confident145 Ų14593.6 Ų93.657%0.56946%0.461SS*.Hα-helixtrans-64.8-52.4175.8-176.9-96000112.4D119 L120 K121 S125 T126 F127D119-Y123 WeakPolarHBondContact O-CB 3.46Å; D119-Y123 PolarHBondContact O-N 2.95Å; D119-Y123 VanDerWaalsContact O-N 3.09Å; L120-Y123 PolarHBondContact O-N 2.84Å; K121-Y123 VanDerWaalsContact C-N 3.35Å; K121-Y123 PolarHBondContact O-N 2.81Å; Y123-S125 VanDerWaalsContact C-N 3.31Å; Y123-S125 PolarHBondContact O-N 3.2Å; Y123-T126 PolarHBondContact O-N 3.33Å; Y123-T126 PolarHBondContact O-OG1 3.17Å; Y123-F127 HydrophobicContact CD1-CE2 4.25Å; Y123-F127 AromaticContact CE1-CE2 3.73Å; Y123-F127 HydrophobicContact CE1-CE2 3.73Å; Y123-F127 AromaticContact CZ-CE2 3.93Å
124F91.2Very high89.7Confident58 Ų5887.7 Ų87.725%0.25444%0.442SS..Hα-helixtrans-73.5-21.9-176.2-77-71.9000113.6V108 L120 K121 T126 F127 G128 V130V108-F124 HydrophobicContact CG2-CE2 3.86Å; V108-F124 HydrophobicContact CG2-CZ 3.84Å; L120-F124 HydrophobicContact CD2-CE2 4.09Å; L120-F124 VanDerWaalsContact O-CD2 3.27Å; L120-F124 WeakPolarHBondContact O-CD2 3.44Å; L120-F124 PolarHBondContact O-N 2.81Å; K121-F124 PolarHBondContact O-N 3.28Å; F124-T126 PolarHBondContact O-N 2.84Å; F124-T126 VanDerWaalsContact O-N 3.13Å; F124-F127 HydrophobicContact CD1-CD2 4.43Å; F124-F127 PolarHBondContact O-N 3.25Å; F124-G128 PolarHBondContact O-N 3.26Å; F124-V130 VanDerWaalsContact C-CG2 3.49Å; F124-V130 HydrophobicContact CB-CG2 3.63Å
125S90.9Very high89.9Confident58 Ų5879.2 Ų79.241%0.40641%0.405SS..THydrogen-bonded Turntrans-61.4-19.6173.4-65.40000113K121 Y123 F127 G128K121-S125 WeakPolarHBondContact O-CB 3.09Å; K121-S125 PolarHBondContact O-N 3.19Å; K121-S125 PolarHBondContact O-OG 3Å; Y123-S125 VanDerWaalsContact C-N 3.31Å; Y123-S125 PolarHBondContact O-N 3.2Å; S125-F127 VanDerWaalsContact C-N 3.29Å; S125-G128 CarbonylContact C-O 3.57Å; S125-G128 VanDerWaalsContact CA-O 3.3Å; S125-G128 WeakPolarHBondContact CA-O 3.25Å
126T93.4Very high89.9Confident105 Ų10581.6 Ų81.664%0.64441%0.414SS*.THydrogen-bonded Turntrans-72.9-20.8173.966.60000113.5Y123 F124Y123-T126 PolarHBondContact O-N 3.33Å; Y123-T126 PolarHBondContact O-OG1 3.17Å; F124-T126 PolarHBondContact O-N 2.84Å; F124-T126 VanDerWaalsContact O-N 3.13Å
127F88.3Confident90Very high153 Ų15383.7 Ų83.767%0.67142%0.418SS*.THydrogen-bonded Turntrans-103.1-13.3-178.3-59.5-80000113.2Y123 F124 S125Y123-F127 HydrophobicContact CD1-CE2 4.25Å; Y123-F127 AromaticContact CE1-CE2 3.73Å; Y123-F127 HydrophobicContact CE1-CE2 3.73Å; Y123-F127 AromaticContact CZ-CE2 3.93Å; F124-F127 HydrophobicContact CD1-CD2 4.43Å; F124-F127 PolarHBondContact O-N 3.25Å; S125-F127 VanDerWaalsContact C-N 3.29Å
128G86.5Confident89.7Confident41 Ų4182.6 Ų82.642%0.42342%0.415SS..SBendtrans166179.7178.800000112.6F124 S125 V130F124-G128 PolarHBondContact O-N 3.26Å; S125-G128 CarbonylContact C-O 3.57Å; S125-G128 VanDerWaalsContact CA-O 3.3Å; S125-G128 WeakPolarHBondContact CA-O 3.25Å; G128-V130 PolarHBondContact O-N 3.43Å
129E85.6Confident89.1Confident177 Ų17785.8 Ų85.883%0.82743%0.434SS*.  trans-68.9122.7176.1-173.5-178.317800110.9
130V87.9Confident88.6Confident30 Ų3091.3 Ų91.318%0.18245%0.454CS..  trans-96.7109177.8-177.50000109.8K121 F124 G128 V133K121-V130 HydrophobicContact CG-CB 4.3Å; K121-V130 HydrophobicContact CG-CG1 4.19Å; F124-V130 VanDerWaalsContact C-CG2 3.49Å; F124-V130 HydrophobicContact CB-CG2 3.63Å; G128-V130 PolarHBondContact O-N 3.43Å; V130-V133 HydrophobicContact CG1-CG2 3.39Å
131L86.2Confident88.2Confident118 Ų11894.7 Ų94.762%0.61848%0.476SS*.  trans-74.5-42.3-179.1-64.7176.8000112.9
132M83.8Confident87.7Confident131 Ų13192.4 Ų92.465%0.64548%0.478SS*.  trans-150.9146-176.1177.9173.217200109.6Q134M132-Q134 HydrophobicContact CE-CB 4.06Å
133V90.3Very high87.3Confident24 Ų2493.7 Ų93.715%0.14548%0.482CS..  trans-134.4138.2169.2179.70000108.3E117 L120 K121 V130 F149E117-V133 HydrophobicContact CB-CB 4.5Å; E117-V133 HydrophobicContact CB-CG1 4.05Å; E117-V133 HydrophobicContact CG-CG1 4.27Å; L120-V133 HydrophobicContact CB-CG1 3.6Å; L120-V133 HydrophobicContact CD1-CG1 3.7Å; L120-V133 HydrophobicContact CG-CG1 4.32Å; K121-V133 HydrophobicContact CB-CG2 3.88Å; K121-V133 HydrophobicContact CG-CG2 4.33Å; V130-V133 HydrophobicContact CG1-CG2 3.39Å; V133-F149 CarbonylContact C-O 3.46Å; V133-F149 VanDerWaalsContact CA-O 3.28Å; V133-F149 WeakPolarHBondContact CA-O 3.38Å
134Q90Very high87.1Confident71 Ų7187.3 Ų87.333%0.33246%0.458SS..  trans-141.2117.6174.2-174.3175.357.100111.6M132 G148 F149M132-Q134 HydrophobicContact CE-CB 4.06Å; Q134-G148 CarbonylContact O-C 3.46Å; Q134-G148 WeakPolarHBondContact O-CA 3.49Å; Q134-F149 PolarHBondContact N-O 3.28Å; Q134-F149 PolarHBondContact O-N 2.8Å
135V91.7Very high86.9Confident5 Ų589.9 Ų89.93%0.0347%0.469CS..EExtended strand (participates in β ladder)trans-87.8122.2171.3174.70000108.5E117 L120 K137E117-V135 HydrophobicContact CG-CB 3.91Å; E117-V135 HydrophobicContact CG-CG2 3.67Å; E117-V135 PolarHBondContact OE1-N 3.43Å; E117-V135 VanDerWaalsContact OE1-N 3.1Å; L120-V135 HydrophobicContact CD1-CG2 3.63Å; V135-K137 HydrophobicContact CG1-CG 4.42Å; V135-K137 PolarHBondContact O-N 3.14Å
136K90.6Very high86.9Confident73 Ų7387.6 Ų87.632%0.31746%0.455SS..EExtended strand (participates in β ladder)trans-74.3121.2177.6-70.9-55.4-167-170.60109.9K145 F147 F149K136-K145 WeakPolarHBondContact O-CB 3.44Å; K136-K145 PolarHBondContact O-N 3.13Å; K136-F147 HydrophobicContact CB-CD1 4.46Å; K136-F147 HydrophobicContact CB-CD2 4.17Å; K136-F147 HydrophobicContact CB-CE1 4.04Å; K136-F147 HydrophobicContact CB-CE2 3.73Å; K136-F147 HydrophobicContact CB-CZ 3.64Å; K136-F147 HydrophobicContact CG-CD2 4.01Å; K136-F147 HydrophobicContact CG-CE2 3.4Å; K136-F147 VanDerWaalsContact CG-CE2 3.4Å; K136-F147 HydrophobicContact CG-CZ 3.72Å; K136-F147 PolarHBondContact N-O 2.68Å; K136-F149 HydrophobicContact CD-CE2 4.45Å; K136-F149 HydrophobicContact CG-CD2 4.34Å; K136-F149 HydrophobicContact CG-CE2 3.98Å
137K90.6Very high86.7Confident104 Ų10485.5 Ų85.545%0.45244%0.437SS..EExtended strand (participates in β ladder)trans-113.5154.2175.7-64.2170.2-176.7175.40110V135 G142 H143V135-K137 HydrophobicContact CG1-CG 4.42Å; V135-K137 PolarHBondContact O-N 3.14Å; K137-G142 WeakPolarHBondContact CD-O 3.31Å; K137-H143 CarbonylContact C-O 3.59Å; K137-H143 WeakPolarHBondContact CA-O 3.44Å; K137-H143 WeakPolarHBondContact CB-O 3.48Å
138D85.4Confident86.9Confident57 Ų5778.2 Ų78.231%0.30541%0.405SS..  trans-70131.7169.3-163-61.4000109.9K140 T141 G142 H143D138-K140 PolarHBondContact O-N 2.8Å; D138-K140 WeakPolarHBondContact OD1-CB 3.4Å; D138-K140 PolarHBondContact OD1-N 2.83Å; D138-T141 WeakPolarHBondContact CB-OG1 2.98Å; D138-G142 VanDerWaalsContact O-CA 3.25Å; D138-G142 WeakPolarHBondContact O-CA 3.38Å; D138-G142 PolarHBondContact O-N 3.45Å; D138-H143 PolarHBondContact N-O 2.75Å
139L78.3Confident87.1Confident174 Ų17481 Ų8191%0.91141%0.406SS*.THydrogen-bonded Turntrans-68-25.6-178.1-75.791.2000112.8
140K79.6Confident87.2Confident198 Ų19876.3 Ų76.386%0.86139%0.385SS*.THydrogen-bonded Turntrans-84.9-36.5-177.4-64.5-176.7179.5179.70112.2D138D138-K140 PolarHBondContact O-N 2.8Å; D138-K140 WeakPolarHBondContact OD1-CB 3.4Å; D138-K140 PolarHBondContact OD1-N 2.83Å
141T84.6Confident87.1Confident84 Ų8478.7 Ų78.752%0.51540%0.395SS..THydrogen-bonded Turntrans-112.1-14.1-171.969.30000113.6D138 H143D138-T141 WeakPolarHBondContact CB-OG1 2.98Å; T141-H143 PolarHBondContact O-N 3.25Å; T141-H143 VanDerWaalsContact O-N 3.13Å; T141-H143 PolarHBondContact OG1-CD2 2.94Å; T141-H143 PolarHBondContact OG1-N 3.17Å
142G81.5Confident87.2Confident45 Ų4576.5 Ų76.546%0.46438%0.383SS..  trans69.9-1.1-175.600000114.3K137 D138K137-G142 WeakPolarHBondContact CD-O 3.31Å; D138-G142 VanDerWaalsContact O-CA 3.25Å; D138-G142 WeakPolarHBondContact O-CA 3.38Å; D138-G142 PolarHBondContact O-N 3.45Å
143H84.4Confident87.4Confident117 Ų11773.3 Ų73.354%0.54237%0.367SS..  trans-74.4144.3180-70.1-66.2000111.7K137 D138 T141K137-H143 CarbonylContact C-O 3.59Å; K137-H143 WeakPolarHBondContact CA-O 3.44Å; K137-H143 WeakPolarHBondContact CB-O 3.48Å; D138-H143 PolarHBondContact N-O 2.75Å; T141-H143 PolarHBondContact O-N 3.25Å; T141-H143 VanDerWaalsContact O-N 3.13Å; T141-H143 PolarHBondContact OG1-CD2 2.94Å; T141-H143 PolarHBondContact OG1-N 3.17Å
144S88.1Confident87.2Confident10 Ų1076.4 Ų76.47%0.0738%0.381CS..EExtended strand (participates in β ladder)trans-60.7137.6174.1-179.40000111W113 G146W113-S144 WeakPolarHBondContact O-CB 3.38Å; S144-G146 PolarHBondContact O-N 2.85Å; S144-G146 PolarHBondContact OG-N 2.84Å; S144-G146 VanDerWaalsContact OG-N 3.15Å
145K87.8Confident87Confident112 Ų11276.7 Ų76.749%0.48739%0.385SS..EExtended strand (participates in β ladder)trans-82.84.3171.9-65.6-168.5171.4-172.30112.7K136 F147K136-K145 WeakPolarHBondContact O-CB 3.44Å; K136-K145 PolarHBondContact O-N 3.13Å; K145-F147 VanDerWaalsContact C-N 3.34Å; K145-F147 HydrophobicContact CB-CD1 3.7Å; K145-F147 HydrophobicContact CB-CE1 3.47Å; K145-F147 VanDerWaalsContact CB-CE1 3.47Å; K145-F147 HydrophobicContact CD-CE1 4.03Å; K145-F147 HydrophobicContact CG-CE1 4.37Å
146G89.5Confident86.7Confident10 Ų1081.9 Ų81.910%0.10341%0.41CS..EExtended strand (participates in β ladder)trans75.621.2179.500000114G110 L111 S144G110-G146 PolarHBondContact N-O 2.8Å; L111-G146 PolarHBondContact N-O 2.9Å; L111-G146 WeakPolarHBondContact O-CA 3.44Å; S144-G146 PolarHBondContact O-N 2.85Å; S144-G146 PolarHBondContact OG-N 2.84Å; S144-G146 VanDerWaalsContact OG-N 3.15Å
147F91.3Very high86.4Confident61 Ų6182.5 Ų82.527%0.26842%0.417SS..EExtended strand (participates in β ladder)trans-149.9159.5172.972.7-84.4000112.8V108 L109 K136 K145 F149V108-F147 CarbonylContact O-C 3.59Å; V108-F147 WeakPolarHBondContact O-CA 3.44Å; V108-F147 WeakPolarHBondContact O-CB 3.39Å; L109-F147 HydrophobicContact CD2-CB 3.8Å; L109-F147 HydrophobicContact CD2-CG 4.46Å; K136-F147 HydrophobicContact CB-CD1 4.46Å; K136-F147 HydrophobicContact CB-CD2 4.17Å; K136-F147 HydrophobicContact CB-CE1 4.04Å; K136-F147 HydrophobicContact CB-CE2 3.73Å; K136-F147 HydrophobicContact CB-CZ 3.64Å; K136-F147 HydrophobicContact CG-CD2 4.01Å; K136-F147 HydrophobicContact CG-CE2 3.4Å; K136-F147 VanDerWaalsContact CG-CE2 3.4Å; K136-F147 HydrophobicContact CG-CZ 3.72Å; K136-F147 PolarHBondContact N-O 2.68Å; K145-F147 VanDerWaalsContact C-N 3.34Å; K145-F147 HydrophobicContact CB-CD1 3.7Å; K145-F147 HydrophobicContact CB-CE1 3.47Å; K145-F147 VanDerWaalsContact CB-CE1 3.47Å; K145-F147 HydrophobicContact CD-CE1 4.03Å; K145-F147 HydrophobicContact CG-CE1 4.37Å; F147-F149 HydrophobicContact CD2-CE2 4.23Å; F147-F149 AromaticContact CE2-CE2 3.96Å; F147-F149 HydrophobicContact CE2-CE2 3.96Å; F147-F149 HydrophobicContact CE2-CZ 4.35Å
148G91.9Very high86Confident0 Ų080.8 Ų80.80%041%0.414CS..EExtended strand (participates in β ladder)trans-155.1175.4179.300000113.3V108 Q134V108-G148 PolarHBondContact N-O 2.77Å; V108-G148 PolarHBondContact O-N 2.82Å; Q134-G148 CarbonylContact O-C 3.46Å; Q134-G148 WeakPolarHBondContact O-CA 3.49Å
149F89.8Confident86.1Confident101 Ų10182.9 Ų82.944%0.44342%0.424SS..  trans-122.90177.4-60-88.9000109.9L106 I107 V133 Q134 K136 F147L106-F149 WeakPolarHBondContact O-CA 3.29Å; I107-F149 HydrophobicContact CB-CD1 4.35Å; I107-F149 HydrophobicContact CB-CE1 4.18Å; I107-F149 HydrophobicContact CD1-CE1 3.95Å; I107-F149 HydrophobicContact CD1-CZ 4.04Å; I107-F149 HydrophobicContact CG1-CD1 4.43Å; I107-F149 HydrophobicContact CG1-CE1 4.03Å; I107-F149 HydrophobicContact CG1-CZ 4.39Å; V133-F149 CarbonylContact C-O 3.46Å; V133-F149 VanDerWaalsContact CA-O 3.28Å; V133-F149 WeakPolarHBondContact CA-O 3.38Å; Q134-F149 PolarHBondContact N-O 3.28Å; Q134-F149 PolarHBondContact O-N 2.8Å; K136-F149 HydrophobicContact CD-CE2 4.45Å; K136-F149 HydrophobicContact CG-CD2 4.34Å; K136-F149 HydrophobicContact CG-CE2 3.98Å; F147-F149 HydrophobicContact CD2-CE2 4.23Å; F147-F149 AromaticContact CE2-CE2 3.96Å; F147-F149 HydrophobicContact CE2-CE2 3.96Å; F147-F149 HydrophobicContact CE2-CZ 4.35Å

Retrieved 149 of 149 residues in 92.5 ms (Link to these results)