Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTATLTKTLGSLDDFRGTLCVPGDPDYPRVRAIWNGQVAREPALIATCHDACDVRTVLRRAVDAGMVTAVRGGGHNVAGTALCDGGVVIDLSAMRAVSLDPATGRVRVQGGATLADLDHATVPFARVAPAGIVTTTGVGGLTLGGGVGWTTRRFGLSCDNLVAVRLVTAAGDYLSVDDERDPELMWGLRGGGGNFGIVTEFEFATHPFGPVAVAGFVVYRLDDGPAV--LRGYRQFAAAAPEEVTTIVVLRHAPPAPWIPVDQRGKPVVMIGAVHTGSIQTGIEALRPVKSLARPVADTVWPTPFLAHQAVLDA---SNPAGHRYYWKSDHLAELNDEAIDLLVEQTAQLSSPDSLIGIFQLGGAAARGGERSCFPSRHARFM-VNYATHWTEARE-DDLHRQWTRDAIEALAPYGL---GTAYVNFTADDAPMHVETLYSTTEFSRLVTLKNRLDPDNVFRNNHNIRPSA |
2BVF Chain:A ((12-456)) | --------------IQGEVIYPDDSGFDAIANIWDGRHLQRPSLIARCLSAGDVAKSVRYACDNGLEISVRSGGHNPNGYATNDGGIVLDLRLMNSIHIDTAGSRARIGGGVISGDLVKEAAKFGLAAVTGMHPKVGFCGLALNGGVGFLTPKYGLASDNILGATLVTATGDVIYCSDDERPELFWAVRGAGPNFGVVTEVEVQLYELPRKMLAGFITW----APSVSELAGLLTSLLDALNEMAD-----HIYPSVFVGVDENRAPSVTVCVGHLGGLDIAERDIARLRGLGRTVSDSIAVRSY-DEVVALNAEVGSFEDGMSNLWIDREIAMPNARFAEAIAGNLDKFVSEPASGGSVKLEIEGMPFGNPKRTPARHRDAMGVLALAEWSGAAPGSEKYPELARELDAALLRAGVTTSGFGLLNNNSEVTAEMVAEVYKPEVYSRLAAVKREYDPENRFRHNYNIDP-- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2BVF.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -208283 for 3966 contacts (-52.5/contact) +
2D Compatibility (PS) -46837 + (NN) -22876 + (LL) 2080
1D Compatibility (HY) -21600 + (ID) 6900
Total energy: -304416.0 ( -76.76 by residue)
QMean score : 0.465
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