Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTMENSSNVAQSSKWKLPIMIAGFVIVVALVFYFVFEGTKNDITIVNAGEKIESRTHAKTVSEALDEAGIKVSERDEIAPGKNAEIKDGMEIKYLPARQITINDNGTKKDVWSTKANVADLLKDENITTR---PQDVLNVALDTKLKNGLEVNINRAIQLSLQNGAKKDTVWTTKTKVSDLLAEKNIKLDQDDRVSPAKDSNLKEKMTVEVTYVNSKAEKKNEQVKFETVYKEDDSLNKGVEKVVQEGKNGKKVVEYKVTFENGKEKKRDVIKENVTSNKTDKVVVRGTKEKVVATPVSNVSTSSATSSSSSSASSTPSGGKTYKMESTAYSGGGTTAYGINLSANPGLKVIAVDPRIIPLGSKVWVEGYGE--------------AIAGDTGGAIKGNIVDVYFPNESQCYSWGRRMVTVKVLN------ |
2AE0 Chain:X ((3-337)) | ---SKPTDRGQQYKDG---------------------KFTQPFSLVNQPDAVGAPINAGDFAEQINHIRNSSPRLYGNQSNVYNAVQEWLR----------------------AGGDTRNMRQFGIDAWQMEGADNYGNVQFTGYYTPVIQARHTR-------QGEFQYPIYRMPPKRGRLSSRAEIY-----------AGALSDKY--ILAYSNSLMDNFIMDVQGSGYIDFGD--GSPLNFFSYAGKNGHAYRSIGKVLID-----RGEVKKEDMSMQAIRHWGETHSEAEVRELLEQ--------------------NPSFVFFKPQSFAPVKGASAVPLVGR---ASVASDRSIIPPGTTLLAEVPLLDNNGKFNGQYELRLMVALDVGGAIKGQHFDIYQGIGPEAGHRAGWYNHYGRVWVLKTAP |
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General information:
TITO was launched using:
| RESULT:
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Template: 2AE0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) 99756 for 2407 contacts (41.4/contact) +
2D Compatibility (PS) -33841 + (NN) -6385 + (LL) 6216
1D Compatibility (HY) -5600 + (ID) 2400
Total energy: 57746.0 ( 23.99 by residue)
QMean score : 0.105
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