Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRALLAQNRLVTLCGTGGVGKTRLAIQIASASELRDGLCFVDLAPITESGIVAATAARAVGLPDQPGRSTMDSLRRFIGNRRMLMVLDNCEHLLDACAALVVELLGACPELTILATSREPIGMAGEITWRVPSMSITDEAVELFADRASRVQPGFTIANHNAAAVGEICRRLDGIPLAIEFAAARVRSMSPLEIADGLDDCFRLLAGGVRGAVQRQQTLRASIDWSHALLTETEQILFRRLAPFVGGFDLAAVRAVAAGSDLDPFSVLDQLTLLVDKSLVVADDCQGRTRYRLLETVRRYALEKLGDSGEADVHARHRDYYTALAASLNTPADNDHQRLVARAETEIDNLRAAFAWSRENGHITEALQLASSLQPIWFGRAHLREGLSWFNSILEDQRFHRLAVSTAVRARALADKAMLSTWLATSPVGATDIIAPAQQALAMAREVGDPAALVRALTACGCSSGYNAEAAAPYFAEATDLARAIDDKWTLCQILYWRGVGTCISGDPNALRAAAEECRDLADTIGDRFVSRHCSLWLSLAQMWAGNLTEALELSREITAEAEASNDVPTKVLGLYTQAQVLAYCGAS-----------------A-AHAIAGACIAAATELGGV-YQGIGYAAMTYAALAAGDVTAALEASDAARPILRA-Q-PDQVTMHQVLMAQLALAGGDAIAARQFANDAVDATNG----WHRMVALTIRARVATARGEPELARDDAHAALACGAELHIYQGMPDAMELLAGLAGEVGSHSEGVRLLGAAAALRQQTRQVRFKIWDAGYQASVTALREAMGDEDFDRAWAEGAALSTDEAIAYAQRGRGERKRPARGWGSLTPTERDVVRLVSEGLSNKDIAKRLFVSPRTVQTHLTHVYAKLGLPSRVQLVDEAARRGSPS |
4A1S Chain:A ((57-346)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GDCRAGVAFFQAAIQAGT--EDLRTLSAIYSQLGNAYFYLGDYNKAMQYHKHDLTLAKSMNDRLGEAKSSGNLGNTLKVMGRFDEAAICCERHLTLARQLGDRLSEGRALYNLGNVYHAKGKHLGQRNPGKFGDDVKEALTRAVEFYQENLKLMRDLGDRGAQGRACGNLGNTYYLLGDFQAAIEHHQERLRIAREFGDRAAERRANSNLGNSHIFLGQFEDAAEHYKRTLALAVELGEREVEAQSCYSLGNTYTLLHEFNTAIEYHNRHLAIAQELGDRIGEARACWSLGNAHSAIGGHERALKYAEQHLQLAUNKUNK-------------------------------------------------------------------------------------------------------------------------- |
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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) -118501 for 2136 contacts (-55.5/contact) +
2D Compatibility (PS) -30084 + (NN) -18819 + (LL) 44812
1D Compatibility (HY) 3600 + (ID) 2500
Total energy: -121492.0 ( -56.88 by residue)
QMean score : 0.521
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