Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MADVPLDAQERLELCDLLEELGPAVATLIEGWTAHDLAAHIVLRERDLVAGLCIVL-PGPFQRFAERRRARLAQSKDFTWLVARIRSGPPMGFFRIGWVRTLANLNEFFVHH------------EDVRRASGRGPRSLTPEMDAALWRNVRRGSHFLSRRLHGCGLEIEWVGTGKRVRVRSGEPTARLTGPPGELLLYVFGRRAVARV-EVSGPLEAIAAVHRTHFGM |
3MX1 Chain:A ((3-210)) | --NKKFDRSEHVYRNDSFLELIKDAVRFFSGTPVHSLPP----PERFQGAGVYALYYTGHYSLYDEYSRINRLAYNLPIYVGKAVPAGWRQSRISDHETRAGSELSNRIREHGRNIAKTSNLDLCDFSCRFVIFEATGSDMISTVQAALIKIYKPLWNTVVDGFG--------------NHTPGAGRFAQAKSDWDVIHPGREWAEKCTGVHSEPYFIEERIKQYFSK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3MX1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -57735 for 1307 contacts (-44.2/contact) +
2D Compatibility (PS) -20540 + (NN) -8408 + (LL) 2260
1D Compatibility (HY) -1600 + (ID) 1400
Total energy: -87423.0 ( -66.89 by residue)
QMean score : 0.329
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