Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRALLAQNRLVTLCGTGGVGKTRLAIQIASASELRDGLCFVDLAPITESGIVAATAARAVGLPDQPGRSTMDSLRRFIGNRRMLMVLDNCEHLLDACAALVVELLGACPELTILATSREPIGMAGEITWRVPSMSITDEAVELFADRASRVQPGFTIANHNAAAVGEICRRLDGIPLAIEFAAARVRSMSPLEIADGLDDCFRLLAGGVRGAVQRQQTLRASIDWSHALLTETEQILFRRLAPFVGGFDLAAVRAVAAGSDLDPFSVLDQLTLLVDKSLVVADDCQGRTRYRLLETVRRYALEKLGDSGEADVHARHRDYYTALAASLNTPADNDHQRLVARAETEIDNLRAAFAWSRENGHITEALQLASSLQPIWFGRAHLREGLSWFNSILEDQRFHRLAVSTAVRARALADKAMLSTWLATSPVGATDIIAPAQQALAMAREVGDPAALVRALTACGCSSGYNAEAAAPYFAEATDLARAIDDKWTLCQILYWRGVGTCISGDPNALRAAAEECRDLADTIGDRFVSRHCSLWLSLAQMWAGNLTEALELSREITAEAEASNDVPTKVLGLYTQAQVLAYCGASAAHAIAGACIAAATELGGVYQGIGYAAMTYAALAAGDVTAALEASDAARPILRAQPDQVTMHQVLMAQLALAGGDAIAARQFANDAVDATNGWHRMVALTIRARVATARGEPELARDDAHAALACGAELHIYQGMPDAMELLAGLAGEVGSHSEGVRLLGAAAALRQQTRQVRFKIWDAGYQAS--VTALR--------EAMGDEDFDRAWAEGAA--LSTDEAI--AYAQRGRGERKRPARGWGSLTPTERDVVRLVSEGLSNKDIAKRLFVSPRTVQTHLTHVYAKLGLPSRVQLVDEAARRGSPS |
1A04 Chain:A ((64-205)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GMNGLETLDKLREKSLSGRIVVFSVSNHEEDVVTALKRGADGYLLKDMEPEDLLKALHQAAAGEMVLSEALTPVLAASL-------ERDVNQLTPRERDILKLIAQGLPNKMIARRLDITESTVKVHVKHMLKKMKLKSRVE------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A04.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -31732 for 719 contacts (-44.1/contact) +
2D Compatibility (PS) -12744 + (NN) -3199 + (LL) 58396
1D Compatibility (HY) -10800 + (ID) 2150
Total energy: -2229.0 ( -3.10 by residue)
QMean score : 0.250
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