Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAYLDHAATTPMHPAAIEAMAAVQRT-IGNASSLHTSGRSARRRIEEARELIADKLGARPSEVIFTAGGTESDNLAVKGIYWARRDAEPHRRRIVTTEVEHHAVLDSVNWLVEHEGAHVTWLPTAADGSVSATALREALQSHDDVALVSVMWANNEVGTILPIAEMSVVAMEFGVPMHSDAIQAVGQLPLDFGASGLSAMSVAGHKFGGPPGVGALLLRRDVTCVPLMHGGGQERDIRSGTPDVASAVGMATAAQIAVDGLEENSARLRLLRDRLVEGVLAEIDDVCLNGADDPMRLAGNAHFTFRGCEGDALLMLLDANGIECSTGSACTAGVAQPSHVLIAMGVDAASARGSLRLSLGHTSVEADVDAALEVLPGAVARARRAALAAAGASR |
4HVK Chain:A ((2-378)) | -AYFDYTSAKPVDERILEAMLPYMTESFGNPSSVHSYGFKAREAVQEAREKVAKLVNGGGGTVVFTSGATEANNLAIIGYAMRNA---RKGKHILVSAVEHMSVINPAKFLQK-QGFEVEYIPVGKYGEVDVSFIDQKLR--DDTILVSVQHANNEIGTIQPVEEISEVLAG-KAALHIDATASVGQIEVDVEKIGADMLTISSNDIYGPKGVGALWIRKEAKLQPVILGGGQENGLRSGSENVPSIVGFGKAAEITAMEWREEAERLRRLRDRIIDNVLKI-EESYLNGH-PEKRLPNNVNVRFSYIEGESIVLSLDMAGIQASTG--------QPSHVLMACGLKHEEAHGTLLLTLGRYNTDEDVDRLLEVLPGVIERLRSMSP------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HVK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -217892 for 3397 contacts (-64.1/contact) +
2D Compatibility (PS) -40952 + (NN) -21820 + (LL) 1708
1D Compatibility (HY) -26800 + (ID) 7100
Total energy: -312856.0 ( -92.10 by residue)
QMean score : 0.514
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