Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRALLAQNRLVTLCGTGGVGKTRLAIQIASASELRDGLCFVDLAPITESGIVAATAARAVGLPDQPGRSTMDSLRRFIGNRRMLMVLDNCEHLLDACAALVVELLGACPELTILATSREPIGMAGEITWRVPSMSITDEAVELFADRASRVQPGFTIANHNAAAVGEICRRLDGIPLAIEFAAARVRSMSPLEIADGLDDCFRLLAGGVRGAVQRQQTLRASIDWSHALLTETEQILFRRLAPFVGGFDLAAVRAVAAGSDLDPFSVLDQLTLLVDKSLVVADDCQGRTRYRLLETVRRYALEKLGDSGEADVHARHRDYYTALAASLNTPADNDHQRLVARAETEIDNLRAAFAWSRENGHITEALQLASSLQPIWFGRAHLREGLSWFNSILEDQRFHRLAVSTAVRARALADKAMLSTWLATSPVGATDIIAPAQQALAMAREVGDPAALVRALTACGCSSGYNAEAAAPYFAEATDLARAIDDKWTLCQILYWRGVGTCISGDPNALRAAAEECRDLADTIGDRFVSRHCSLWLSLAQMWAGN-----------------LTEALELSREITAEAEASNDVPTKVLGLYTQAQVLAYCGASA-AHAIAGACIAAATELGGVY-QGIGYAAMTYAALAAGDVTAALEASDAARPILRA-Q-PDQVTMHQVLMAQLALAGGDAIAARQFANDAVDATNG----WHRMVALTIRARVATARGEPELARDDAHAALACGAELHIYQGMPDAMELLAGLAGEVGSHSEGVRLLGAAAALRQQTRQVRFKIWDAGYQASVTALREAMGDEDFDRAWAEGAALSTDEAIAYAQRGRGERKRPARGWGSLTPTERDVVRLVSEGLSNKDIAKRLFVSPRTVQTHLTHVYAKLGLPSRVQLVDEAARRGSPS |
4A1S Chain:A ((95-347)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GDYNKAMQYHKHDLTLAKSMNDRLGEAKSSGNLGNTLKVMGRFDEAAICCERHLTLARQLGDRLSEGRALYNLGNVYHAKGKHLGQRNPGKFGDDVKEALTRAVEFYQENLKLMRDLGDRGAQGRACGNLGNTYYLLGDFQAAIEHHQERLRIAREFGDRAAERRANSNLGNSHIFLGQFEDAAEHYKRTLALAVELGEREVEAQSCYSLGNTYTLLHEFNTAIEYHNRHLAIAQELGDRIGEARACWSLGNAHSAIGGHERALKYAEQHLQLAUNKUNKU----------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4A1S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -115517 for 1837 contacts (-62.9/contact) +
2D Compatibility (PS) -25971 + (NN) -18219 + (LL) 47284
1D Compatibility (HY) 5600 + (ID) 1600
Total energy: -108423.0 ( -59.02 by residue)
QMean score : 0.453
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