A0A0A0MSV7_HUMAN Loading...

TAR DNA binding protein

AlphaFold DB , UniProt , Accession A0A0A0MSV7, Species HUMAN (Homo sapiens, Human), Gene TARDBP, Length 84 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
1M52.1Low82.6Confident208 Ų20877.5 Ų77.5100%1.02537%0.367SS*.  0112.90-88.5-166.5-85.300104.7E3M1-E3 PolarHBondContact O-N 3.45Å
2S60.3Low82.5Confident63 Ų6383.3 Ų83.344%0.44140%0.403SS..  trans-66116.6177.2-34.90000107.9
3E83Confident82.8Confident110 Ų11084.4 Ų84.451%0.51441%0.412SS..  trans-87.2159171.5-70.4-168.792.200109M1 S20M1-E3 PolarHBondContact O-N 3.45Å; E3-S20 PolarHBondContact N-OG 3.29Å; E3-S20 VanDerWaalsContact N-OG 3.11Å; E3-S20 VanDerWaalsContact O-CB 3.29Å; E3-S20 WeakPolarHBondContact O-CB 3.29Å; E3-S20 PolarHBondContact O-N 3.03Å; E3-S20 PolarHBondContact O-OG 3.36Å
4Y89.2Confident83.3Confident143 Ų14391.1 Ų91.156%0.56144%0.442SS*.EExtended strand (participates in β ladder)trans-111.7139.7176.2-63.2-88.3000109.1I18 P19Y4-I18 WeakPolarHBondContact CA-O 3.45Å; Y4-P19 HydrophobicContact CD1-CB 4.11Å; Y4-P19 HydrophobicContact CE1-CB 3.9Å
5I91.5Very high83.9Confident0 Ų088.7 Ų88.70%044%0.436CS..EExtended strand (participates in β ladder)trans-111.7142.3177.874.1151.5000109.3V7 E17 I18 V26 L41 W68I5-V7 HydrophobicContact CD1-CG2 3.43Å; I5-V7 VanDerWaalsContact CD1-CG2 3.43Å; I5-V7 HydrophobicContact CG1-CG2 3.71Å; I5-E17 CarbonylContact O-C 3.59Å; I5-E17 WeakPolarHBondContact O-CA 3.47Å; I5-I18 HydrophobicContact CG1-CB 3.9Å; I5-I18 HydrophobicContact CG1-CG2 4.42Å; I5-I18 PolarHBondContact N-O 2.84Å; I5-I18 PolarHBondContact O-N 2.73Å; I5-V26 HydrophobicContact CD1-CB 4.25Å; I5-V26 HydrophobicContact CD1-CG1 4.02Å; I5-V26 HydrophobicContact CD1-CG2 3.8Å; I5-V26 HydrophobicContact CG1-CG1 4.5Å; I5-V26 HydrophobicContact CG1-CG2 3.97Å; I5-V26 HydrophobicContact CG2-CG2 3.86Å; I5-L41 HydrophobicContact CD1-CD1 3.85Å; I5-W68 HydrophobicContact CB-CB 4.43Å; I5-W68 HydrophobicContact CB-CD2 4.3Å; I5-W68 HydrophobicContact CB-CE3 4.29Å; I5-W68 HydrophobicContact CB-CG 4.34Å; I5-W68 HydrophobicContact CD1-CE3 4.07Å; I5-W68 HydrophobicContact CD1-CH2 4.39Å; I5-W68 HydrophobicContact CD1-CZ3 3.99Å; I5-W68 HydrophobicContact CG2-CB 3.57Å; I5-W68 HydrophobicContact CG2-CD2 3.39Å; I5-W68 HydrophobicContact CG2-CE3 3.86Å; I5-W68 HydrophobicContact CG2-CG 3.21Å
6R93.1Very high84.4Confident89 Ų8987.4 Ų87.434%0.33643%0.43SS..EExtended strand (participates in β ladder)trans-93.3112.3-179.4-70.9177.3-176.1-175.50.4109.5P15 E17 N70 Y73R6-P15 HydrophobicContact CB-CB 3.96Å; R6-P15 HydrophobicContact CB-CG 4.48Å; R6-E17 HydrophobicContact CG-CG 4.27Å; R6-N70 PolarHBondContact NE-OD1 2.83Å; R6-N70 PolarHBondContact NH1-OD1 2.79Å; R6-N70 PolarHBondContact NH2-OD1 2.82Å; R6-Y73 WeakPolarHBondContact O-CB 3.31Å; R6-Y73 WeakPolarHBondContact O-CD2 3.18Å; R6-Y73 PolarHBondContact O-N 3.46Å
7V93.5Very high84.9Confident0 Ų089.2 Ų89.20%044%0.438CS..EExtended strand (participates in β ladder)trans-118133.3-176.7-172.90000110.2I5 P15 I16 I18 V31 F35 L41 Y73 V75I5-V7 HydrophobicContact CD1-CG2 3.43Å; I5-V7 VanDerWaalsContact CD1-CG2 3.43Å; I5-V7 HydrophobicContact CG1-CG2 3.71Å; V7-P15 WeakPolarHBondContact O-CA 3.39Å; V7-I16 PolarHBondContact N-O 2.87Å; V7-I16 PolarHBondContact O-N 2.7Å; V7-I18 HydrophobicContact CB-CG1 3.98Å; V7-I18 HydrophobicContact CG2-CB 4.21Å; V7-I18 HydrophobicContact CG2-CG1 3.72Å; V7-V31 HydrophobicContact CG1-CG1 4.45Å; V7-F35 HydrophobicContact CB-CE2 3.91Å; V7-F35 HydrophobicContact CG1-CD2 3.95Å; V7-F35 HydrophobicContact CG1-CE2 3.58Å; V7-F35 HydrophobicContact CG1-CZ 4.23Å; V7-F35 WeakPolarHBondContact O-CZ 3.32Å; V7-L41 HydrophobicContact CG1-CD2 3.74Å; V7-L41 HydrophobicContact CG2-CD1 4.37Å; V7-Y73 CarbonylContact C-O 3.5Å; V7-Y73 VanDerWaalsContact CA-O 3.26Å; V7-Y73 WeakPolarHBondContact CA-O 3.49Å; V7-V75 HydrophobicContact CG1-CG1 3.57Å
8T93.9Very high85.3Confident2 Ų284.4 Ų84.41%0.01241%0.414CS..EExtended strand (participates in β ladder)trans-133.4159.9175.1-172.20000110.5D10 V72 Y73 V74 V75T8-D10 WeakPolarHBondContact CB-O 3.44Å; T8-D10 WeakPolarHBondContact CG2-O 3.16Å; T8-D10 PolarHBondContact OG1-N 2.8Å; T8-D10 PolarHBondContact OG1-O 3.07Å; T8-V72 HydrophobicContact CG2-CG1 3.53Å; T8-Y73 PolarHBondContact N-O 2.77Å; T8-V74 HydrophobicContact CG2-CG2 4.11Å; T8-V74 CarbonylContact O-C 3.44Å; T8-V74 VanDerWaalsContact O-CA 3.22Å; T8-V74 WeakPolarHBondContact O-CA 3.37Å; T8-V75 PolarHBondContact O-N 3.39Å
9E90.2Very high85.6Confident70 Ų7083 Ų8333%0.32741%0.412SS..SBendtrans-86-28.7167.864.317784.700113.2F35 V74 V75 R83E9-F35 HydrophobicContact CB-CD1 4.14Å; E9-F35 HydrophobicContact CB-CE1 4.06Å; E9-F35 HydrophobicContact CG-CE1 4.46Å; E9-V74 WeakPolarHBondContact O-CG1 3.1Å; E9-V75 HydrophobicContact CB-CG2 3.78Å; E9-R83 IonicContact OE2-CZ 3.02Å; E9-R83 VanDerWaalsContact OE2-CZ 3.29Å; E9-R83 IonicContact OE2-NH1 3.29Å; E9-R83 PolarHBondContact OE2-NH1 2.86Å; E9-R83 IonicContact OE2-NH2 2.75Å; E9-R83 PolarHBondContact OE2-NH2 3.11Å
10D84.8Confident85.9Confident66 Ų6679.1 Ų79.135%0.35339%0.393SS..SBendtrans-134.9142.4-177.9-163.6-83.5000110.5T8 N12 D13T8-D10 WeakPolarHBondContact CB-O 3.44Å; T8-D10 WeakPolarHBondContact CG2-O 3.16Å; T8-D10 PolarHBondContact OG1-N 2.8Å; T8-D10 PolarHBondContact OG1-O 3.07Å; D10-N12 PolarHBondContact O-N 3.45Å; D10-N12 VanDerWaalsContact O-N 3.11Å; D10-N12 VanDerWaalsContact OD1-CB 3.26Å; D10-N12 WeakPolarHBondContact OD1-CB 3.26Å; D10-N12 PolarHBondContact OD1-N 3.02Å; D10-N12 PolarHBondContact OD1-ND2 3.26Å; D10-D13 HydrophobicContact CB-CB 4.27Å; D10-D13 PolarHBondContact O-N 2.97Å; D10-D13 VanDerWaalsContact O-N 3.1Å
11E77Confident86.2Confident101 Ų10179.1 Ų79.147%0.47239%0.392SS..THydrogen-bonded Turntrans-64.4-14.6178.8-63.5-172.988.600112.9R44 V74E11-R44 VanDerWaalsContact CD-NH2 3.3Å; E11-R44 IonicContact OE1-CZ 2.94Å; E11-R44 IonicContact OE1-NE 3.7Å; E11-R44 IonicContact OE1-NH1 3.01Å; E11-R44 PolarHBondContact OE1-NH1 2.79Å; E11-R44 IonicContact OE1-NH2 3.66Å; E11-R44 PolarHBondContact OE1-NH2 2.8Å; E11-R44 IonicContact OE2-CZ 3.52Å; E11-R44 IonicContact OE2-NH1 2.68Å; E11-R44 IonicContact OE2-NH2 2.83Å; E11-R44 PolarHBondContact OE2-NH2 3.06Å; E11-V74 HydrophobicContact CG-CG2 3.95Å
12N80.9Confident87.8Confident148 Ų14875.4 Ų75.479%0.79138%0.376SS*.THydrogen-bonded Turntrans-94.9-11.7177-57.7-85.5000113.6D10D10-N12 PolarHBondContact O-N 3.45Å; D10-N12 VanDerWaalsContact O-N 3.11Å; D10-N12 VanDerWaalsContact OD1-CB 3.26Å; D10-N12 WeakPolarHBondContact OD1-CB 3.26Å; D10-N12 PolarHBondContact OD1-N 3.02Å; D10-N12 PolarHBondContact OD1-ND2 3.26Å
13D87.4Confident89.1Confident97 Ų9779 Ų7952%0.51939%0.391SS..SBendtrans-88.7157-179.6-93.1-75.6000112.5D10D10-D13 HydrophobicContact CB-CB 4.27Å; D10-D13 PolarHBondContact O-N 2.97Å; D10-D13 VanDerWaalsContact O-N 3.1Å
14E88.9Confident89.3Confident178 Ų17874.7 Ų74.783%0.83238%0.376SS*.PPolyproline II helixtrans-67.6123.6175.3-73.9-171.689.600110.3
15P92.1Very high89.5Confident55 Ų5568.6 Ų68.636%0.35735%0.353SS..PPolyproline II helixtrans-70.9142.1-179.728.7-33.6000111.3R6 V7 V72R6-P15 HydrophobicContact CB-CB 3.96Å; R6-P15 HydrophobicContact CB-CG 4.48Å; V7-P15 WeakPolarHBondContact O-CA 3.39Å; P15-V72 HydrophobicContact CB-CG1 4.3Å
16I92.2Very high89.6Confident68 Ų6868.6 Ų68.635%0.34935%0.353SS..EExtended strand (participates in β ladder)trans-94.1135.3174.1-60.4178.4000109.1V7 I18 Q34 F35V7-I16 PolarHBondContact N-O 2.87Å; V7-I16 PolarHBondContact O-N 2.7Å; I16-I18 HydrophobicContact CG2-CD1 4.21Å; I16-I18 PolarHBondContact O-N 2.78Å; I16-Q34 HydrophobicContact CG2-CG 4.41Å; I16-F35 HydrophobicContact CB-CE2 4.46Å; I16-F35 HydrophobicContact CB-CZ 4.35Å; I16-F35 HydrophobicContact CD1-CE2 4.38Å; I16-F35 HydrophobicContact CD1-CZ 3.88Å; I16-F35 HydrophobicContact CG1-CZ 4.27Å
17E92.8Very high89.6Confident118 Ų11866.7 Ų66.755%0.55135%0.35SS*.EExtended strand (participates in β ladder)trans-81.1115.2174.3-67.8-174.6126.500110.4I5 R6I5-E17 CarbonylContact O-C 3.59Å; I5-E17 WeakPolarHBondContact O-CA 3.47Å; R6-E17 HydrophobicContact CG-CG 4.27Å
18I91.7Very high89.5Confident3 Ų368.1 Ų68.12%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-104128.3178.2-59.5-70.1000108.4Y4 I5 V7 I16 V26 T30 V31 Q34Y4-I18 WeakPolarHBondContact CA-O 3.45Å; I5-I18 HydrophobicContact CG1-CB 3.9Å; I5-I18 HydrophobicContact CG1-CG2 4.42Å; I5-I18 PolarHBondContact N-O 2.84Å; I5-I18 PolarHBondContact O-N 2.73Å; V7-I18 HydrophobicContact CB-CG1 3.98Å; V7-I18 HydrophobicContact CG2-CB 4.21Å; V7-I18 HydrophobicContact CG2-CG1 3.72Å; I16-I18 HydrophobicContact CG2-CD1 4.21Å; I16-I18 PolarHBondContact O-N 2.78Å; I18-V26 HydrophobicContact CG2-CG1 3.98Å; I18-T30 HydrophobicContact CG2-CG2 3.61Å; I18-V31 HydrophobicContact CG2-CG2 4.44Å; I18-Q34 HydrophobicContact CD1-CB 4.05Å; I18-Q34 HydrophobicContact CD1-CG 3.46Å; I18-Q34 VanDerWaalsContact CD1-CG 3.46Å
19P92.1Very high89.5Confident58 Ų5871.4 Ų71.438%0.37738%0.38SS..EExtended strand (participates in β ladder)trans-68140.1177.227.5-33.7000111.6Y4 T30Y4-P19 HydrophobicContact CD1-CB 4.11Å; Y4-P19 HydrophobicContact CE1-CB 3.9Å; P19-T30 HydrophobicContact CG-CG2 4.12Å
20S91.5Very high89.6Confident5 Ų569.8 Ų69.84%0.03538%0.375CS..PPolyproline II helixtrans-91.7157.7167.5840000111.5E3 T25E3-S20 PolarHBondContact N-OG 3.29Å; E3-S20 VanDerWaalsContact N-OG 3.11Å; E3-S20 VanDerWaalsContact O-CB 3.29Å; E3-S20 WeakPolarHBondContact O-CB 3.29Å; E3-S20 PolarHBondContact O-N 3.03Å; E3-S20 PolarHBondContact O-OG 3.36Å; S20-T25 WeakPolarHBondContact CB-O 3.48Å
21E91.6Very high89.9Confident79 Ų7966.6 Ų66.637%0.36936%0.358SS..PPolyproline II helixtrans-69.6168.1169.4-57.5-61.7108.300110.8D23 G24 T25 L27E21-D23 PolarHBondContact O-N 2.84Å; E21-G24 PolarHBondContact O-N 3.35Å; E21-T25 WeakPolarHBondContact CB-O 3.29Å; E21-T25 PolarHBondContact N-O 3.09Å; E21-L27 HydrophobicContact CG-CD1 4.44Å; E21-L27 HydrophobicContact CG-CD2 4.37Å; E21-L27 HydrophobicContact CG-CG 3.98Å
22D86.8Confident90.6Very high130 Ų13064.1 Ų64.170%0.69535%0.35SS*.THydrogen-bonded Turntrans-64.9-23.7179.5-70.1-74.1000114.2G24D22-G24 PolarHBondContact O-N 3.4Å
23D87.1Confident91.2Very high139 Ų13960.5 Ų60.574%0.74334%0.341SS*.THydrogen-bonded Turntrans-81-0.5174.7-162-116.3000112.5E21 T25E21-D23 PolarHBondContact O-N 2.84Å; D23-T25 VanDerWaalsContact C-N 3.26Å; D23-T25 PolarHBondContact O-N 2.92Å
24G87.4Confident91.3Very high19 Ų1961 Ų6120%0.19634%0.34CS..SBendtrans77.49.4-175.800000113.4E21 D22 W68E21-G24 PolarHBondContact O-N 3.35Å; D22-G24 PolarHBondContact O-N 3.4Å; G24-W68 PolarHBondContact O-NE1 3.21Å
25T92.6Very high91.4Very high15 Ų1553 Ų539%0.09230%0.302CS..  trans-86.4160.3169.258.40000111.4S20 E21 D23 I60 L61S20-T25 WeakPolarHBondContact CB-O 3.48Å; E21-T25 WeakPolarHBondContact CB-O 3.29Å; E21-T25 PolarHBondContact N-O 3.09Å; D23-T25 VanDerWaalsContact C-N 3.26Å; D23-T25 PolarHBondContact O-N 2.92Å; T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.79Å; T25-L61 CarbonylContact C-O 3.57Å; T25-L61 WeakPolarHBondContact CA-O 3.34Å; T25-L61 WeakPolarHBondContact CB-O 3.4Å
26V93.3Very high91.3Very high0 Ų055.2 Ų55.20%032%0.317CS..EExtended strand (participates in β ladder)trans-120.7133.3174.4173.60000109.1I5 I18 V31 L61 W68I5-V26 HydrophobicContact CD1-CB 4.25Å; I5-V26 HydrophobicContact CD1-CG1 4.02Å; I5-V26 HydrophobicContact CD1-CG2 3.8Å; I5-V26 HydrophobicContact CG1-CG1 4.5Å; I5-V26 HydrophobicContact CG1-CG2 3.97Å; I5-V26 HydrophobicContact CG2-CG2 3.86Å; I18-V26 HydrophobicContact CG2-CG1 3.98Å; V26-V31 HydrophobicContact CG1-CG2 3.92Å; V26-L61 HydrophobicContact CB-CB 4.26Å; V26-L61 HydrophobicContact CG1-CD1 4.33Å; V26-L61 PolarHBondContact N-O 3.28Å; V26-L61 WeakPolarHBondContact O-CA 3.49Å; V26-L61 VanDerWaalsContact O-CB 3.25Å; V26-L61 WeakPolarHBondContact O-CB 3.44Å; V26-L61 PolarHBondContact O-N 3.36Å; V26-W68 HydrophobicContact CB-CH2 4.26Å; V26-W68 HydrophobicContact CB-CZ2 3.89Å; V26-W68 HydrophobicContact CG2-CH2 4.17Å; V26-W68 HydrophobicContact CG2-CZ2 3.54Å
27L93.4Very high91.1Very high49 Ų4953.3 Ų53.326%0.25731%0.314SS..EExtended strand (participates in β ladder)trans-77133.2176.8-58.3177.1000110.5E21 S29 T30 V31 I60E21-L27 HydrophobicContact CG-CD1 4.44Å; E21-L27 HydrophobicContact CG-CD2 4.37Å; E21-L27 HydrophobicContact CG-CG 3.98Å; L27-S29 WeakPolarHBondContact CB-OG 3.36Å; L27-S29 PolarHBondContact O-N 3.23Å; L27-T30 WeakPolarHBondContact O-CB 3.42Å; L27-T30 PolarHBondContact O-N 2.81Å; L27-T30 VanDerWaalsContact O-N 3.09Å; L27-V31 PolarHBondContact O-N 3.29Å; L27-I60 HydrophobicContact CD2-CG1 4Å
28L92.6Very high91Very high30 Ų3048 Ų4816%0.15729%0.291CS..Hα-helixtrans-59.5-32.9172-177.365.2000110.4T30 V31 T32 L56 G59 L61L28-T30 VanDerWaalsContact C-N 3.31Å; L28-T30 PolarHBondContact O-N 2.81Å; L28-V31 PolarHBondContact O-N 2.78Å; L28-T32 HydrophobicContact CD1-CG2 4.31Å; L28-T32 HydrophobicContact CG-CG2 4.13Å; L28-T32 WeakPolarHBondContact O-CG2 3.5Å; L28-T32 PolarHBondContact O-N 3.18Å; L28-T32 PolarHBondContact O-OG1 3.14Å; L28-L56 HydrophobicContact CB-CD1 4.16Å; L28-L56 HydrophobicContact CD2-CD1 4.15Å; L28-L56 HydrophobicContact CD2-CD2 4.14Å; L28-G59 WeakPolarHBondContact CB-O 3.49Å; L28-G59 PolarHBondContact N-O 3.24Å; L28-L61 HydrophobicContact CD1-CD1 4.33Å
29S92.5Very high91Very high71 Ų7150.6 Ų50.650%0.49731%0.308SS..Hα-helixtrans-56.7-44.1173.952.50000112L27 T32 A33L27-S29 WeakPolarHBondContact CB-OG 3.36Å; L27-S29 PolarHBondContact O-N 3.23Å; S29-T32 VanDerWaalsContact CA-OG1 3.29Å; S29-T32 WeakPolarHBondContact CA-OG1 3.25Å; S29-T32 PolarHBondContact O-N 2.91Å; S29-T32 PolarHBondContact O-OG1 3.27Å; S29-A33 PolarHBondContact O-N 2.84Å
30T92.8Very high91Very high36 Ų3648.2 Ų48.222%0.22129%0.294CS..Hα-helixtrans-64.1-41.2176.9-460000111.4I18 P19 L27 L28 A33I18-T30 HydrophobicContact CG2-CG2 3.61Å; P19-T30 HydrophobicContact CG-CG2 4.12Å; L27-T30 WeakPolarHBondContact O-CB 3.42Å; L27-T30 PolarHBondContact O-N 2.81Å; L27-T30 VanDerWaalsContact O-N 3.09Å; L28-T30 VanDerWaalsContact C-N 3.31Å; L28-T30 PolarHBondContact O-N 2.81Å; T30-A33 WeakPolarHBondContact O-CB 3.43Å; T30-A33 PolarHBondContact O-N 3.35Å
31V92.3Very high91.1Very high0 Ų048.1 Ų48.10%029%0.293CS..Hα-helixtrans-63.5-47.1173.8177.60000110.5V7 I18 V26 L27 L28 A33 Q34 F35 A38 L41 L61 V75V7-V31 HydrophobicContact CG1-CG1 4.45Å; I18-V31 HydrophobicContact CG2-CG2 4.44Å; V26-V31 HydrophobicContact CG1-CG2 3.92Å; L27-V31 PolarHBondContact O-N 3.29Å; L28-V31 PolarHBondContact O-N 2.78Å; V31-A33 PolarHBondContact O-N 3.41Å; V31-Q34 PolarHBondContact O-N 3.47Å; V31-Q34 VanDerWaalsContact O-N 3.16Å; V31-F35 HydrophobicContact CG1-CD2 4.24Å; V31-F35 WeakPolarHBondContact O-CB 3.35Å; V31-F35 PolarHBondContact O-N 3.15Å; V31-A38 HydrophobicContact CG1-CB 4.03Å; V31-L41 HydrophobicContact CG1-CD2 4.04Å; V31-L41 HydrophobicContact CG2-CD1 4.29Å; V31-L61 HydrophobicContact CG2-CD1 3.8Å; V31-V75 HydrophobicContact CG1-CG1 3.74Å
32T91.7Very high91.2Very high49 Ų4948.9 Ų48.930%0.30129%0.293SS..Hα-helixtrans-67.6-20.7-179.757.50000113.8L28 S29 Q34 F35 P36 A38L28-T32 HydrophobicContact CD1-CG2 4.31Å; L28-T32 HydrophobicContact CG-CG2 4.13Å; L28-T32 WeakPolarHBondContact O-CG2 3.5Å; L28-T32 PolarHBondContact O-N 3.18Å; L28-T32 PolarHBondContact O-OG1 3.14Å; S29-T32 VanDerWaalsContact CA-OG1 3.29Å; S29-T32 WeakPolarHBondContact CA-OG1 3.25Å; S29-T32 PolarHBondContact O-N 2.91Å; S29-T32 PolarHBondContact O-OG1 3.27Å; T32-Q34 VanDerWaalsContact C-N 3.29Å; T32-F35 WeakPolarHBondContact CA-O 3.29Å; T32-F35 CarbonylContact O-C 3.51Å; T32-P36 WeakPolarHBondContact O-CA 3.33Å; T32-A38 HydrophobicContact CG2-CB 4.27Å; T32-A38 VanDerWaalsContact CG2-O 3.25Å; T32-A38 WeakPolarHBondContact CG2-O 3.49Å
33A91.9Very high91.4Very high72 Ų7243.4 Ų43.460%0.59526%0.262SS*.Hα-helixtrans-67.1-32.4174.500000112S29 T30 V31S29-A33 PolarHBondContact O-N 2.84Å; T30-A33 WeakPolarHBondContact O-CB 3.43Å; T30-A33 PolarHBondContact O-N 3.35Å; V31-A33 PolarHBondContact O-N 3.41Å
34Q90.8Very high91.6Very high107 Ų10741.5 Ų41.550%0.525%0.245SC..Hα-helixtrans-94.8-37.1173.7-56.7-53-59.700111.8I16 I18 V31 T32 P36I16-Q34 HydrophobicContact CG2-CG 4.41Å; I18-Q34 HydrophobicContact CD1-CB 4.05Å; I18-Q34 HydrophobicContact CD1-CG 3.46Å; I18-Q34 VanDerWaalsContact CD1-CG 3.46Å; V31-Q34 PolarHBondContact O-N 3.47Å; V31-Q34 VanDerWaalsContact O-N 3.16Å; T32-Q34 VanDerWaalsContact C-N 3.29Å; Q34-P36 VanDerWaalsContact O-CD 3.25Å; Q34-P36 WeakPolarHBondContact O-CD 3.25Å
35F90.3Very high91.6Very high10 Ų1041.3 Ų41.34%0.04424%0.239CC..SBendtrans-118.277.4-176.4-59.5-79.5000110.6V7 E9 I16 V31 T32 G37 A38 V75V7-F35 HydrophobicContact CB-CE2 3.91Å; V7-F35 HydrophobicContact CG1-CD2 3.95Å; V7-F35 HydrophobicContact CG1-CE2 3.58Å; V7-F35 HydrophobicContact CG1-CZ 4.23Å; V7-F35 WeakPolarHBondContact O-CZ 3.32Å; E9-F35 HydrophobicContact CB-CD1 4.14Å; E9-F35 HydrophobicContact CB-CE1 4.06Å; E9-F35 HydrophobicContact CG-CE1 4.46Å; I16-F35 HydrophobicContact CB-CE2 4.46Å; I16-F35 HydrophobicContact CB-CZ 4.35Å; I16-F35 HydrophobicContact CD1-CE2 4.38Å; I16-F35 HydrophobicContact CD1-CZ 3.88Å; I16-F35 HydrophobicContact CG1-CZ 4.27Å; V31-F35 HydrophobicContact CG1-CD2 4.24Å; V31-F35 WeakPolarHBondContact O-CB 3.35Å; V31-F35 PolarHBondContact O-N 3.15Å; T32-F35 WeakPolarHBondContact CA-O 3.29Å; T32-F35 CarbonylContact O-C 3.51Å; F35-G37 PolarHBondContact O-N 2.9Å; F35-A38 HydrophobicContact CB-CB 4.07Å; F35-A38 VanDerWaalsContact O-CB 3.27Å; F35-A38 WeakPolarHBondContact O-CB 3.44Å; F35-A38 PolarHBondContact O-N 3.11Å; F35-A38 VanDerWaalsContact O-N 3.08Å; F35-V75 HydrophobicContact CB-CG1 3.92Å; F35-V75 HydrophobicContact CB-CG2 4.4Å; F35-V75 HydrophobicContact CD1-CG1 4.37Å; F35-V75 HydrophobicContact CD1-CG2 4.1Å; F35-V75 HydrophobicContact CD2-CG1 3.94Å; F35-V75 HydrophobicContact CG-CG1 3.81Å; F35-V75 HydrophobicContact CG-CG2 4.27Å
36P89.8Confident91.2Very high102 Ų10244.5 Ų44.566%0.66226%0.26SS*.THydrogen-bonded Turntrans-58.2129.9-178.123.3-33.3000110.9T32 Q34 Y77T32-P36 WeakPolarHBondContact O-CA 3.33Å; Q34-P36 VanDerWaalsContact O-CD 3.25Å; Q34-P36 WeakPolarHBondContact O-CD 3.25Å; P36-Y77 WeakPolarHBondContact O-CE1 3.46Å
37G88.4Confident90.9Very high28 Ų2850.6 Ų50.629%0.28930%0.297SS..THydrogen-bonded Turntrans91.7-5-177.900000115.3F35 C39 Y77 P78 Q81F35-G37 PolarHBondContact O-N 2.9Å; G37-C39 PolarHBondContact O-N 2.74Å; G37-Y77 WeakPolarHBondContact O-CD1 3.38Å; G37-P78 WeakPolarHBondContact O-CD 3.26Å; G37-Q81 PolarHBondContact O-OE1 3.26Å
38A91.2Very high90.7Very high7 Ų751.4 Ų51.46%0.05831%0.307CS..  trans-60.1130.7173.600000110.9V31 T32 F35 V75 N76 Y77V31-A38 HydrophobicContact CG1-CB 4.03Å; T32-A38 HydrophobicContact CG2-CB 4.27Å; T32-A38 VanDerWaalsContact CG2-O 3.25Å; T32-A38 WeakPolarHBondContact CG2-O 3.49Å; F35-A38 HydrophobicContact CB-CB 4.07Å; F35-A38 VanDerWaalsContact O-CB 3.27Å; F35-A38 WeakPolarHBondContact O-CB 3.44Å; F35-A38 PolarHBondContact O-N 3.11Å; F35-A38 VanDerWaalsContact O-N 3.08Å; A38-V75 HydrophobicContact CB-CB 4.06Å; A38-V75 HydrophobicContact CB-CG1 3.96Å; A38-N76 WeakPolarHBondContact CA-O 3.48Å; A38-Y77 HydrophobicContact CB-CE1 4.45Å
39C91.5Very high90.4Very high57 Ų5755.7 Ų55.739%0.38533%0.326SS..  trans-1143.4178.6720000113G37 L56 N76G37-C39 PolarHBondContact O-N 2.74Å; C39-L56 VanDerWaalsContact O-CD2 3.26Å; C39-L56 WeakPolarHBondContact O-CD2 3.15Å; C39-N76 PolarHBondContact N-O 2.87Å; C39-N76 PolarHBondContact SG-O 2.77Å; C39-N76 VanDerWaalsContact SG-O 3.35Å
40G92.5Very high90.3Very high8 Ų855.9 Ų55.98%0.08233%0.327CS..EExtended strand (participates in β ladder)trans170-177.7177.200000112.2N76G40-N76 PolarHBondContact O-N 2.79Å
41L93.3Very high90.2Very high2 Ų258 Ų581%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-127.8152.2178.8-64.5-178.6000111.1I5 V7 V31 V54 L61 W68 V74 V75 N76I5-L41 HydrophobicContact CD1-CD1 3.85Å; V7-L41 HydrophobicContact CG1-CD2 3.74Å; V7-L41 HydrophobicContact CG2-CD1 4.37Å; V31-L41 HydrophobicContact CG1-CD2 4.04Å; V31-L41 HydrophobicContact CG2-CD1 4.29Å; L41-V54 HydrophobicContact CB-CB 3.9Å; L41-V54 HydrophobicContact CB-CG2 3.66Å; L41-V54 PolarHBondContact O-N 2.69Å; L41-L61 HydrophobicContact CB-CD2 4.33Å; L41-L61 HydrophobicContact CD1-CD1 3.66Å; L41-L61 HydrophobicContact CD1-CD2 4.45Å; L41-L61 HydrophobicContact CG-CD1 3.9Å; L41-L61 HydrophobicContact CG-CD2 4.22Å; L41-W68 HydrophobicContact CD1-CZ3 4.45Å; L41-V74 WeakPolarHBondContact CA-O 3.22Å; L41-V75 HydrophobicContact CD2-CB 4.33Å; L41-V75 HydrophobicContact CD2-CG1 3.58Å; L41-N76 PolarHBondContact O-ND2 3.49Å
42R92.8Very high90.2Very high96 Ų9663.5 Ų63.536%0.36236%0.356SS..EExtended strand (participates in β ladder)trans-136.5155.2168.561.9179.4-175.9-117.21.3109.7M51 R52 Y73 V74 N76R42-M51 HydrophobicContact CB-CE 4.33Å; R42-M51 VanDerWaalsContact CD-CE 3.48Å; R42-M51 HydrophobicContact CG-CE 3.68Å; R42-R52 CarbonylContact C-O 3.54Å; R42-R52 WeakPolarHBondContact CA-O 3.39Å; R42-R52 WeakPolarHBondContact CB-O 3.48Å; R42-Y73 CarbonylContact O-C 3.41Å; R42-Y73 WeakPolarHBondContact O-CA 3.37Å; R42-V74 HydrophobicContact CG-CB 4.02Å; R42-V74 WeakPolarHBondContact CG-O 3.26Å; R42-V74 PolarHBondContact N-O 3.02Å; R42-V74 PolarHBondContact O-N 2.83Å; R42-N76 WeakPolarHBondContact CD-OD1 3.45Å; R42-N76 WeakPolarHBondContact CG-OD1 3.5Å; R42-N76 PolarHBondContact NH1-OD1 2.73Å
43Y91.8Very high90.2Very high15 Ų1564.1 Ų64.16%0.05937%0.372CS..EExtended strand (participates in β ladder)trans-135.7156.5174.566-82.7000110.3M51 R52 V54 P64 L71 Y73Y43-M51 CarbonylContact O-C 3.46Å; Y43-M51 WeakPolarHBondContact O-CA 3.43Å; Y43-R52 HydrophobicContact CD1-CB 4.05Å; Y43-R52 WeakPolarHBondContact CD1-O 3.32Å; Y43-R52 HydrophobicContact CD2-CB 4.4Å; Y43-R52 HydrophobicContact CE1-CB 3.56Å; Y43-R52 HydrophobicContact CE2-CB 3.96Å; Y43-R52 HydrophobicContact CE2-CG 4.47Å; Y43-R52 HydrophobicContact CG-CB 4.46Å; Y43-R52 PolarHBondContact N-O 3.16Å; Y43-R52 PolarHBondContact O-N 2.79Å; Y43-R52 WeakPolarHBondContact OH-CD 3.43Å; Y43-V54 HydrophobicContact CD1-CG2 4.04Å; Y43-V54 HydrophobicContact CE1-CG2 4.49Å; Y43-P64 HydrophobicContact CE1-CG 4.36Å; Y43-L71 HydrophobicContact CD2-CD1 3.74Å; Y43-L71 HydrophobicContact CE2-CD1 3.94Å; Y43-Y73 HydrophobicContact CD1-CD1 4.07Å; Y43-Y73 AromaticContact CD1-CE1 3.54Å; Y43-Y73 HydrophobicContact CD1-CE1 3.54Å; Y43-Y73 HydrophobicContact CE1-CE1 4.36Å; Y43-Y73 HydrophobicContact CG-CD1 4.23Å; Y43-Y73 AromaticContact CG-CE1 3.79Å; Y43-Y73 HydrophobicContact CG-CE1 3.79Å
44R90Very high90.2Very high99 Ų9961.6 Ų61.637%0.37435%0.349SS..EExtended strand (participates in β ladder)trans-85.7124.1172.7-176.1167.2-7414910.7109.5E11 P46 M51E11-R44 VanDerWaalsContact CD-NH2 3.3Å; E11-R44 IonicContact OE1-CZ 2.94Å; E11-R44 IonicContact OE1-NE 3.7Å; E11-R44 IonicContact OE1-NH1 3.01Å; E11-R44 PolarHBondContact OE1-NH1 2.79Å; E11-R44 IonicContact OE1-NH2 3.66Å; E11-R44 PolarHBondContact OE1-NH2 2.8Å; E11-R44 IonicContact OE2-CZ 3.52Å; E11-R44 IonicContact OE2-NH1 2.68Å; E11-R44 IonicContact OE2-NH2 2.83Å; E11-R44 PolarHBondContact OE2-NH2 3.06Å; R44-P46 WeakPolarHBondContact O-CD 3.49Å; R44-M51 HydrophobicContact CB-SD 4Å; R44-M51 HydrophobicContact CG-SD 4.47Å
45N88Confident90.4Very high15 Ų1565.1 Ų65.18%0.0836%0.357CS..  trans-72.1120.5173.7-1793.9000109.5V47 S48 Q49 C50 R52N45-V47 PolarHBondContact O-N 2.93Å; N45-V47 PolarHBondContact OD1-N 3.4Å; N45-V47 VanDerWaalsContact OD1-N 3.14Å; N45-S48 WeakPolarHBondContact ND2-CB 3.19Å; N45-S48 PolarHBondContact ND2-OG 2.81Å; N45-Q49 WeakPolarHBondContact O-CA 3.45Å; N45-Q49 PolarHBondContact O-N 2.95Å; N45-C50 PolarHBondContact N-O 3.14Å; N45-R52 HydrophobicContact CB-CG 4.34Å; N45-R52 VanDerWaalsContact ND2-CZ 3.33Å; N45-R52 PolarHBondContact ND2-NE 3.26Å; N45-R52 PolarHBondContact ND2-NH2 3.38Å
46P84.5Confident90.5Very high81 Ų8168 Ų6853%0.52637%0.373SS..THydrogen-bonded Turntrans-62-28.6-179.524.4-34.7000113R44 Q49 L71R44-P46 WeakPolarHBondContact O-CD 3.49Å; P46-Q49 PolarHBondContact O-NE2 2.78Å; P46-L71 HydrophobicContact CG-CD2 4.25Å
47V86.9Confident90.7Very high129 Ų12966.2 Ų66.278%0.78236%0.36SS*.THydrogen-bonded Turntrans-80.6-56-178.2-177.80000111.5N45N45-V47 PolarHBondContact O-N 2.93Å; N45-V47 PolarHBondContact OD1-N 3.4Å; N45-V47 VanDerWaalsContact OD1-N 3.14Å
48S88.4Confident90.8Very high65 Ų6574.2 Ų74.246%0.45539%0.39SS..THydrogen-bonded Turntrans-86.4-11.6-175.3-49.60000113.7N45 C50N45-S48 WeakPolarHBondContact ND2-CB 3.19Å; N45-S48 PolarHBondContact ND2-OG 2.81Å; S48-C50 PolarHBondContact O-N 2.88Å; S48-C50 PolarHBondContact O-SG 2.7Å; S48-C50 VanDerWaalsContact O-SG 3.4Å
49Q87.7Confident90.8Very high121 Ų12175.2 Ų75.257%0.56540%0.401SS*.  trans57.73.6-170.7-62.8-67.2-5500115.1N45 P46N45-Q49 WeakPolarHBondContact O-CA 3.45Å; N45-Q49 PolarHBondContact O-N 2.95Å; P46-Q49 PolarHBondContact O-NE2 2.78Å
50C90.3Very high90.9Very high75 Ų7575.2 Ų75.251%0.50740%0.397SS..  trans-78.1148.8175.2-56.10000111.8N45 S48N45-C50 PolarHBondContact N-O 3.14Å; S48-C50 PolarHBondContact O-N 2.88Å; S48-C50 PolarHBondContact O-SG 2.7Å; S48-C50 VanDerWaalsContact O-SG 3.4Å
51M90.3Very high91Very high79 Ų7974.9 Ų74.939%0.38939%0.393SS..EExtended strand (participates in β ladder)trans-71.9127.7167.2-60.2-56.3-71.100109.7R42 Y43 R44R42-M51 HydrophobicContact CB-CE 4.33Å; R42-M51 VanDerWaalsContact CD-CE 3.48Å; R42-M51 HydrophobicContact CG-CE 3.68Å; Y43-M51 CarbonylContact O-C 3.46Å; Y43-M51 WeakPolarHBondContact O-CA 3.43Å; R44-M51 HydrophobicContact CB-SD 4Å; R44-M51 HydrophobicContact CG-SD 4.47Å
52R91.8Very high91Very high117 Ų11777.8 Ų77.844%0.44241%0.406SS..EExtended strand (participates in β ladder)trans-113.5131.6175.5-76.3-172.3172.6-175.7-3109.9R42 Y43 N45R42-R52 CarbonylContact C-O 3.54Å; R42-R52 WeakPolarHBondContact CA-O 3.39Å; R42-R52 WeakPolarHBondContact CB-O 3.48Å; Y43-R52 HydrophobicContact CD1-CB 4.05Å; Y43-R52 WeakPolarHBondContact CD1-O 3.32Å; Y43-R52 HydrophobicContact CD2-CB 4.4Å; Y43-R52 HydrophobicContact CE1-CB 3.56Å; Y43-R52 HydrophobicContact CE2-CB 3.96Å; Y43-R52 HydrophobicContact CE2-CG 4.47Å; Y43-R52 HydrophobicContact CG-CB 4.46Å; Y43-R52 PolarHBondContact N-O 3.16Å; Y43-R52 PolarHBondContact O-N 2.79Å; Y43-R52 WeakPolarHBondContact OH-CD 3.43Å; N45-R52 HydrophobicContact CB-CG 4.34Å; N45-R52 VanDerWaalsContact ND2-CZ 3.33Å; N45-R52 PolarHBondContact ND2-NE 3.26Å; N45-R52 PolarHBondContact ND2-NH2 3.38Å
53G91.9Very high90.8Very high62 Ų6275 Ų7564%0.63940%0.403SS*.EExtended strand (participates in β ladder)trans-74.7145.2172.800000111.3
54V93.3Very high90.5Very high18 Ų1875.8 Ų75.811%0.10941%0.411CS..PPolyproline II helixtrans-84.8139.4167.5179.80000108.4L41 Y43 L56 L61 H62 W68 Y73L41-V54 HydrophobicContact CB-CB 3.9Å; L41-V54 HydrophobicContact CB-CG2 3.66Å; L41-V54 PolarHBondContact O-N 2.69Å; Y43-V54 HydrophobicContact CD1-CG2 4.04Å; Y43-V54 HydrophobicContact CE1-CG2 4.49Å; V54-L56 PolarHBondContact O-N 3.08Å; V54-L61 HydrophobicContact CB-CD2 4.28Å; V54-L61 HydrophobicContact CG1-CB 4.03Å; V54-L61 HydrophobicContact CG1-CD2 3.85Å; V54-H62 WeakPolarHBondContact CG1-O 3.15Å; V54-W68 HydrophobicContact CG1-CH2 3.64Å; V54-W68 HydrophobicContact CG1-CZ3 3.84Å; V54-W68 HydrophobicContact CG2-CZ3 4.19Å; V54-Y73 HydrophobicContact CG2-CD1 3.59Å; V54-Y73 HydrophobicContact CG2-CE1 3.67Å
55R93.6Very high90.1Very high181 Ų18180 Ų8068%0.68344%0.44SS*.EExtended strand (participates in β ladder)trans-69.3126.9177.8172.7178.8-71.7176.5-0109.1V57 L61 H62R55-V57 HydrophobicContact CG-CG2 3.89Å; R55-L61 CarbonylContact O-C 3.55Å; R55-L61 VanDerWaalsContact O-CA 3.31Å; R55-L61 WeakPolarHBondContact O-CA 3.45Å; R55-H62 HydrophobicContact CB-CB 4.22Å; R55-H62 HydrophobicContact CG-CB 4.34Å; R55-H62 PolarHBondContact O-N 3.35Å
56L92.9Very high89.9Confident70 Ų7084 Ų8437%0.36648%0.475SS..EExtended strand (participates in β ladder)trans-116.4123.4174.617767.7000109.1L28 C39 V54 I60 L61L28-L56 HydrophobicContact CB-CD1 4.16Å; L28-L56 HydrophobicContact CD2-CD1 4.15Å; L28-L56 HydrophobicContact CD2-CD2 4.14Å; C39-L56 VanDerWaalsContact O-CD2 3.26Å; C39-L56 WeakPolarHBondContact O-CD2 3.15Å; V54-L56 PolarHBondContact O-N 3.08Å; L56-I60 CarbonylContact C-O 3.59Å; L56-I60 WeakPolarHBondContact CA-O 3.39Å; L56-L61 HydrophobicContact CB-CD2 4.1Å; L56-L61 HydrophobicContact CD1-CD2 3.88Å; L56-L61 HydrophobicContact CD1-CG 3.94Å
57V93.1Very high90Very high66 Ų6681.3 Ų81.340%0.446%0.463SS..EExtended strand (participates in β ladder)trans-133.4119.5177.5-177.40000107.9R55 G59 I60R55-V57 HydrophobicContact CG-CG2 3.89Å; V57-G59 PolarHBondContact O-N 3.28Å; V57-I60 PolarHBondContact N-O 2.79Å; V57-I60 WeakPolarHBondContact O-CA 3.49Å; V57-I60 VanDerWaalsContact O-CB 3.32Å; V57-I60 WeakPolarHBondContact O-CB 3.47Å; V57-I60 PolarHBondContact O-N 3.36Å
58E91.1Very high90Very high195 Ų19575.3 Ų75.391%0.91143%0.426SS*.THydrogen-bonded Turntrans51.134.8177.8-59.7-169.3110.300115I60E58-I60 VanDerWaalsContact C-N 3.32Å
59G90.7Very high89.8Confident28 Ų2874.6 Ų74.629%0.28943%0.428SS..THydrogen-bonded Turntrans83.26.7-177.600000114.3L28 V57L28-G59 WeakPolarHBondContact CB-O 3.49Å; L28-G59 PolarHBondContact N-O 3.24Å; V57-G59 PolarHBondContact O-N 3.28Å
60I94.3Very high89.7Confident58 Ų5874.6 Ų74.630%0.29743%0.432SS..EExtended strand (participates in β ladder)trans-108.6122177.7-54.2172.2000108.8T25 L27 L56 V57 E58T25-I60 VanDerWaalsContact CB-CG2 3.46Å; T25-I60 HydrophobicContact CG2-CG2 3.79Å; L27-I60 HydrophobicContact CD2-CG1 4Å; L56-I60 CarbonylContact C-O 3.59Å; L56-I60 WeakPolarHBondContact CA-O 3.39Å; V57-I60 PolarHBondContact N-O 2.79Å; V57-I60 WeakPolarHBondContact O-CA 3.49Å; V57-I60 VanDerWaalsContact O-CB 3.32Å; V57-I60 WeakPolarHBondContact O-CB 3.47Å; V57-I60 PolarHBondContact O-N 3.36Å; E58-I60 VanDerWaalsContact C-N 3.32Å
61L93.9Very high89.6Confident0 Ų073.1 Ų73.10%042%0.419CS..EExtended strand (participates in β ladder)trans-88.9120.1175.3-64.8153000108.8T25 V26 L28 V31 L41 V54 R55 L56 W68T25-L61 CarbonylContact C-O 3.57Å; T25-L61 WeakPolarHBondContact CA-O 3.34Å; T25-L61 WeakPolarHBondContact CB-O 3.4Å; V26-L61 HydrophobicContact CB-CB 4.26Å; V26-L61 HydrophobicContact CG1-CD1 4.33Å; V26-L61 PolarHBondContact N-O 3.28Å; V26-L61 WeakPolarHBondContact O-CA 3.49Å; V26-L61 VanDerWaalsContact O-CB 3.25Å; V26-L61 WeakPolarHBondContact O-CB 3.44Å; V26-L61 PolarHBondContact O-N 3.36Å; L28-L61 HydrophobicContact CD1-CD1 4.33Å; V31-L61 HydrophobicContact CG2-CD1 3.8Å; L41-L61 HydrophobicContact CB-CD2 4.33Å; L41-L61 HydrophobicContact CD1-CD1 3.66Å; L41-L61 HydrophobicContact CD1-CD2 4.45Å; L41-L61 HydrophobicContact CG-CD1 3.9Å; L41-L61 HydrophobicContact CG-CD2 4.22Å; V54-L61 HydrophobicContact CB-CD2 4.28Å; V54-L61 HydrophobicContact CG1-CB 4.03Å; V54-L61 HydrophobicContact CG1-CD2 3.85Å; R55-L61 CarbonylContact O-C 3.55Å; R55-L61 VanDerWaalsContact O-CA 3.31Å; R55-L61 WeakPolarHBondContact O-CA 3.45Å; L56-L61 HydrophobicContact CB-CD2 4.1Å; L56-L61 HydrophobicContact CD1-CD2 3.88Å; L56-L61 HydrophobicContact CD1-CG 3.94Å; L61-W68 HydrophobicContact CB-CH2 3.93Å; L61-W68 HydrophobicContact CB-CZ2 4.46Å; L61-W68 WeakPolarHBondContact O-CZ2 3.36Å
62H93.1Very high89.7Confident64 Ų6472.4 Ų72.430%0.29642%0.419SS..EExtended strand (participates in β ladder)trans-94132.7178.5-69.4-94.1000110.6V54 R55V54-H62 WeakPolarHBondContact CG1-O 3.15Å; R55-H62 HydrophobicContact CB-CB 4.22Å; R55-H62 HydrophobicContact CG-CB 4.34Å; R55-H62 PolarHBondContact O-N 3.35Å
63A88.9Confident89.7Confident36 Ų3666.9 Ų66.930%0.29840%0.398SS..PPolyproline II helixtrans-57.7146.5171.700000110.6W68A63-W68 HydrophobicContact CB-CD2 4.03Å; A63-W68 HydrophobicContact CB-CG 4.16Å; A63-W68 HydrophobicContact CB-CZ2 4.1Å
64P86Confident89.8Confident33 Ų3364.1 Ų64.121%0.21437%0.369CS..PPolyproline II helixtrans-65.8167.2167.828.2-31000110.7Y43 A66 G67Y43-P64 HydrophobicContact CE1-CG 4.36Å; P64-A66 PolarHBondContact O-N 2.94Å; P64-G67 VanDerWaalsContact CG-O 3.29Å; P64-G67 WeakPolarHBondContact CG-O 3.35Å; P64-G67 WeakPolarHBondContact O-CA 3.49Å; P64-G67 PolarHBondContact O-N 3.35Å
65D81.9Confident89.8Confident186 Ų18663.4 Ų63.4100%0.99537%0.365SS*.THydrogen-bonded Turntrans-54.7-24.6-178-63.5-96.1000114.5G67D65-G67 VanDerWaalsContact C-N 3.31Å
66A82.6Confident89.7Confident99 Ų9956.7 Ų56.782%0.81834%0.342SS*.THydrogen-bonded Turntrans-86.63.7176.800000114P64P64-A66 PolarHBondContact O-N 2.94Å
67G86.8Confident89.5Confident25 Ų2556.7 Ų56.726%0.25834%0.338SS..  trans75.3-178.7-170.800000112.9P64 D65 G69P64-G67 VanDerWaalsContact CG-O 3.29Å; P64-G67 WeakPolarHBondContact CG-O 3.35Å; P64-G67 WeakPolarHBondContact O-CA 3.49Å; P64-G67 PolarHBondContact O-N 3.35Å; D65-G67 VanDerWaalsContact C-N 3.31Å; G67-G69 VanDerWaalsContact C-N 3.32Å
68W87.9Confident89.1Confident4 Ų456.3 Ų56.32%0.01534%0.337CS..SBendtrans-67.5-36177.4-63.4106.8000112.4I5 G24 V26 L41 V54 L61 A63 Y73I5-W68 HydrophobicContact CB-CB 4.43Å; I5-W68 HydrophobicContact CB-CD2 4.3Å; I5-W68 HydrophobicContact CB-CE3 4.29Å; I5-W68 HydrophobicContact CB-CG 4.34Å; I5-W68 HydrophobicContact CD1-CE3 4.07Å; I5-W68 HydrophobicContact CD1-CH2 4.39Å; I5-W68 HydrophobicContact CD1-CZ3 3.99Å; I5-W68 HydrophobicContact CG2-CB 3.57Å; I5-W68 HydrophobicContact CG2-CD2 3.39Å; I5-W68 HydrophobicContact CG2-CE3 3.86Å; I5-W68 HydrophobicContact CG2-CG 3.21Å; G24-W68 PolarHBondContact O-NE1 3.21Å; V26-W68 HydrophobicContact CB-CH2 4.26Å; V26-W68 HydrophobicContact CB-CZ2 3.89Å; V26-W68 HydrophobicContact CG2-CH2 4.17Å; V26-W68 HydrophobicContact CG2-CZ2 3.54Å; L41-W68 HydrophobicContact CD1-CZ3 4.45Å; V54-W68 HydrophobicContact CG1-CH2 3.64Å; V54-W68 HydrophobicContact CG1-CZ3 3.84Å; V54-W68 HydrophobicContact CG2-CZ3 4.19Å; L61-W68 HydrophobicContact CB-CH2 3.93Å; L61-W68 HydrophobicContact CB-CZ2 4.46Å; L61-W68 WeakPolarHBondContact O-CZ2 3.36Å; A63-W68 HydrophobicContact CB-CD2 4.03Å; A63-W68 HydrophobicContact CB-CG 4.16Å; A63-W68 HydrophobicContact CB-CZ2 4.1Å; W68-Y73 WeakPolarHBondContact CA-OH 3.27Å; W68-Y73 HydrophobicContact CB-CE2 4.41Å; W68-Y73 HydrophobicContact CE3-CD1 4.23Å; W68-Y73 HydrophobicContact CE3-CD2 4.31Å; W68-Y73 AromaticContact CE3-CE1 3.63Å; W68-Y73 HydrophobicContact CE3-CE1 3.63Å; W68-Y73 AromaticContact CE3-CE2 3.74Å; W68-Y73 HydrophobicContact CE3-CE2 3.74Å; W68-Y73 AromaticContact CE3-CZ 3.4Å; W68-Y73 HydrophobicContact CZ3-CD1 4.06Å; W68-Y73 AromaticContact CZ3-CE1 3.73Å; W68-Y73 HydrophobicContact CZ3-CE1 3.73Å; W68-Y73 HydrophobicContact CZ3-CE2 4.5Å; W68-Y73 WeakPolarHBondContact O-CE2 3.25Å; W68-Y73 PolarHBondContact O-OH 2.92Å
69G84.4Confident87.9Confident49 Ų4957.9 Ų57.951%0.50534%0.341SS..THydrogen-bonded Turntrans58.1-159.9-179.800000112.7G67 L71G67-G69 VanDerWaalsContact C-N 3.32Å; G69-L71 PolarHBondContact O-N 2.81Å
70N84.6Confident86.4Confident121 Ų12159.8 Ų59.865%0.64736%0.361SS*.THydrogen-bonded Turntrans-94.532.6177.7-152.217.6000112.2R6R6-N70 PolarHBondContact NE-OD1 2.83Å; R6-N70 PolarHBondContact NH1-OD1 2.79Å; R6-N70 PolarHBondContact NH2-OD1 2.82Å
71L89.1Confident84.5Confident45 Ų4562.3 Ų62.324%0.23637%0.371CS..PPolyproline II helixtrans-86.8149.2-177-63.3172.5000110.4Y43 P46 G69 Y73Y43-L71 HydrophobicContact CD2-CD1 3.74Å; Y43-L71 HydrophobicContact CE2-CD1 3.94Å; P46-L71 HydrophobicContact CG-CD2 4.25Å; G69-L71 PolarHBondContact O-N 2.81Å; L71-Y73 HydrophobicContact CB-CE2 3.9Å; L71-Y73 WeakPolarHBondContact O-CD2 3.43Å; L71-Y73 WeakPolarHBondContact O-CE2 3.45Å
72V91.4Very high82.3Confident64 Ų6470.2 Ų70.239%0.38841%0.408SS..EExtended strand (participates in β ladder)trans-92.6122.2172.8-178.50000108.7T8 P15T8-V72 HydrophobicContact CG2-CG1 3.53Å; P15-V72 HydrophobicContact CB-CG1 4.3Å
73Y92.6Very high80.5Confident0 Ų076 Ų760%043%0.428CS..EExtended strand (participates in β ladder)trans-97.7132.3177.7-65.7-92.5000109.3R6 V7 T8 R42 Y43 V54 W68 L71R6-Y73 WeakPolarHBondContact O-CB 3.31Å; R6-Y73 WeakPolarHBondContact O-CD2 3.18Å; R6-Y73 PolarHBondContact O-N 3.46Å; V7-Y73 CarbonylContact C-O 3.5Å; V7-Y73 VanDerWaalsContact CA-O 3.26Å; V7-Y73 WeakPolarHBondContact CA-O 3.49Å; T8-Y73 PolarHBondContact N-O 2.77Å; R42-Y73 CarbonylContact O-C 3.41Å; R42-Y73 WeakPolarHBondContact O-CA 3.37Å; Y43-Y73 HydrophobicContact CD1-CD1 4.07Å; Y43-Y73 AromaticContact CD1-CE1 3.54Å; Y43-Y73 HydrophobicContact CD1-CE1 3.54Å; Y43-Y73 HydrophobicContact CE1-CE1 4.36Å; Y43-Y73 HydrophobicContact CG-CD1 4.23Å; Y43-Y73 AromaticContact CG-CE1 3.79Å; Y43-Y73 HydrophobicContact CG-CE1 3.79Å; V54-Y73 HydrophobicContact CG2-CD1 3.59Å; V54-Y73 HydrophobicContact CG2-CE1 3.67Å; W68-Y73 WeakPolarHBondContact CA-OH 3.27Å; W68-Y73 HydrophobicContact CB-CE2 4.41Å; W68-Y73 HydrophobicContact CE3-CD1 4.23Å; W68-Y73 HydrophobicContact CE3-CD2 4.31Å; W68-Y73 AromaticContact CE3-CE1 3.63Å; W68-Y73 HydrophobicContact CE3-CE1 3.63Å; W68-Y73 AromaticContact CE3-CE2 3.74Å; W68-Y73 HydrophobicContact CE3-CE2 3.74Å; W68-Y73 AromaticContact CE3-CZ 3.4Å; W68-Y73 HydrophobicContact CZ3-CD1 4.06Å; W68-Y73 AromaticContact CZ3-CE1 3.73Å; W68-Y73 HydrophobicContact CZ3-CE1 3.73Å; W68-Y73 HydrophobicContact CZ3-CE2 4.5Å; W68-Y73 WeakPolarHBondContact O-CE2 3.25Å; W68-Y73 PolarHBondContact O-OH 2.92Å; L71-Y73 HydrophobicContact CB-CE2 3.9Å; L71-Y73 WeakPolarHBondContact O-CD2 3.43Å; L71-Y73 WeakPolarHBondContact O-CE2 3.45Å
74V93.5Very high78.5Confident5 Ų583 Ų833%0.0347%0.474CS..EExtended strand (participates in β ladder)trans-102.9131177.6-172.70000109T8 E9 E11 L41 R42T8-V74 HydrophobicContact CG2-CG2 4.11Å; T8-V74 CarbonylContact O-C 3.44Å; T8-V74 VanDerWaalsContact O-CA 3.22Å; T8-V74 WeakPolarHBondContact O-CA 3.37Å; E9-V74 WeakPolarHBondContact O-CG1 3.1Å; E11-V74 HydrophobicContact CG-CG2 3.95Å; L41-V74 WeakPolarHBondContact CA-O 3.22Å; R42-V74 HydrophobicContact CG-CB 4.02Å; R42-V74 WeakPolarHBondContact CG-O 3.26Å; R42-V74 PolarHBondContact N-O 3.02Å; R42-V74 PolarHBondContact O-N 2.83Å
75V93.5Very high78.1Confident2 Ų285.5 Ų85.51%0.01249%0.487CS..EExtended strand (participates in β ladder)trans-67.9143.5175.3-71.10000111.9V7 T8 E9 V31 F35 A38 L41 Y77V7-V75 HydrophobicContact CG1-CG1 3.57Å; T8-V75 PolarHBondContact O-N 3.39Å; E9-V75 HydrophobicContact CB-CG2 3.78Å; V31-V75 HydrophobicContact CG1-CG1 3.74Å; F35-V75 HydrophobicContact CB-CG1 3.92Å; F35-V75 HydrophobicContact CB-CG2 4.4Å; F35-V75 HydrophobicContact CD1-CG1 4.37Å; F35-V75 HydrophobicContact CD1-CG2 4.1Å; F35-V75 HydrophobicContact CD2-CG1 3.94Å; F35-V75 HydrophobicContact CG-CG1 3.81Å; F35-V75 HydrophobicContact CG-CG2 4.27Å; A38-V75 HydrophobicContact CB-CB 4.06Å; A38-V75 HydrophobicContact CB-CG1 3.96Å; L41-V75 HydrophobicContact CD2-CB 4.33Å; L41-V75 HydrophobicContact CD2-CG1 3.58Å; V75-Y77 HydrophobicContact CB-CE2 4.28Å; V75-Y77 HydrophobicContact CG2-CD2 4.35Å; V75-Y77 HydrophobicContact CG2-CE2 3.42Å; V75-Y77 VanDerWaalsContact CG2-CE2 3.42Å
76N91.6Very high77.9Confident40 Ų4080.2 Ų80.221%0.21446%0.46CS..EExtended strand (participates in β ladder)trans-102.7133171.5-66.6-39.4000108.9A38 C39 G40 L41 R42A38-N76 WeakPolarHBondContact CA-O 3.48Å; C39-N76 PolarHBondContact N-O 2.87Å; C39-N76 PolarHBondContact SG-O 2.77Å; C39-N76 VanDerWaalsContact SG-O 3.35Å; G40-N76 PolarHBondContact O-N 2.79Å; L41-N76 PolarHBondContact O-ND2 3.49Å; R42-N76 WeakPolarHBondContact CD-OD1 3.45Å; R42-N76 WeakPolarHBondContact CG-OD1 3.5Å; R42-N76 PolarHBondContact NH1-OD1 2.73Å
77Y89.1Confident77.6Confident70 Ų7079.2 Ų79.228%0.27544%0.44SS..  trans-109.2146.3172-63.8-82.6000109.9P36 G37 A38 V75 K79P36-Y77 WeakPolarHBondContact O-CE1 3.46Å; G37-Y77 WeakPolarHBondContact O-CD1 3.38Å; A38-Y77 HydrophobicContact CB-CE1 4.45Å; V75-Y77 HydrophobicContact CB-CE2 4.28Å; V75-Y77 HydrophobicContact CG2-CD2 4.35Å; V75-Y77 HydrophobicContact CG2-CE2 3.42Å; V75-Y77 VanDerWaalsContact CG2-CE2 3.42Å; Y77-K79 PolarHBondContact O-N 3.28Å
78P84Confident77.1Confident59 Ų5982.4 Ų82.438%0.38345%0.451SS..  trans-63.5131.8175.124.4-29.5000110.1G37 G80 Q81G37-P78 WeakPolarHBondContact O-CD 3.26Å; P78-G80 PolarHBondContact O-N 2.9Å; P78-Q81 HydrophobicContact CG-CB 4.21Å; P78-Q81 PolarHBondContact O-N 2.68Å; P78-Q81 VanDerWaalsContact O-N 3.15Å
79K66.8Low76.4Confident227 Ų22787.3 Ų87.399%0.98748%0.479SS*.THydrogen-bonded Turntrans-64.796.5173.1-79.1-173.6172.5-174.40108.8Y77Y77-K79 PolarHBondContact O-N 3.28Å
80G58.8Low75.9Confident69 Ų6989.8 Ų89.871%0.71148%0.477SS*.THydrogen-bonded Turntrans145.7-11.7-174.600000113.4P78 E82P78-G80 PolarHBondContact O-N 2.9Å; G80-E82 VanDerWaalsContact C-N 3.33Å; G80-E82 PolarHBondContact O-N 2.75Å
81Q54.5Low75.3Confident110 Ų11087.6 Ų87.651%0.51447%0.465SS..  trans-89.678.2167.1-156.1162.960.800107.8G37 P78 R83G37-Q81 PolarHBondContact O-OE1 3.26Å; P78-Q81 HydrophobicContact CG-CB 4.21Å; P78-Q81 PolarHBondContact O-N 2.68Å; P78-Q81 VanDerWaalsContact O-N 3.15Å; Q81-R83 PolarHBondContact O-N 3.01Å
82E47.9Very low74.2Confident166 Ų16690.8 Ų90.878%0.77648%0.482SS*.  trans-52.8123.1163.5-85.6148.562.800107.7G80 S84G80-E82 VanDerWaalsContact C-N 3.33Å; G80-E82 PolarHBondContact O-N 2.75Å; E82-S84 PolarHBondContact O-N 2.74Å; E82-S84 PolarHBondContact O-OG 3.1Å
83R55.7Low72.8Confident187 Ų18793.1 Ų93.171%0.70649%0.49SS*.  trans-59.894.5168.6-71.4-173.2179.9-165-4.8106.3E9 Q81E9-R83 IonicContact OE2-CZ 3.02Å; E9-R83 VanDerWaalsContact OE2-CZ 3.29Å; E9-R83 IonicContact OE2-NH1 3.29Å; E9-R83 PolarHBondContact OE2-NH1 2.86Å; E9-R83 IonicContact OE2-NH2 2.75Å; E9-R83 PolarHBondContact OE2-NH2 3.11Å; Q81-R83 PolarHBondContact O-N 3.01Å
84S45.1Very low71Confident182 Ų182101.5 Ų101.5100%1.27354%0.535SS*.  trans-76.10171.5-55.40000109.5E82E82-S84 PolarHBondContact O-N 2.74Å; E82-S84 PolarHBondContact O-OG 3.1Å

Retrieved 84 of 84 residues in 132.7 ms (Link to these results)

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