Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTATLTKTLGSLDDFRGTLCVPGDPDYPRVRAIWNGQVAREPALIATCHDACDVRTVLRRAVDAGMVTAVRGGGHNVAGTALCDGGVVIDLSAMRAVSLDPATGRVRVQGGATLADLDHATVPFARVAPAGIVTTTGVGGLTLGGGVGWTTRRFGLSCDNLVAVRLVTAAGDYLSVDDERDPELMWGLRGGGGNFGIVTEFEFATHPFGPVAVAGFVVYRLDDGPAVLRGYRQFAAAAPEEVTTIVVLRHAPPAPWIPVDQRGKPVVMIGAVHTGSIQTGIEALRPVKSLARPVADTVWPTPFLAHQAVLDASNPAGHRYYWKSDHLAELNDEAIDLLVEQTAQLSSPDSLIGIFQLGGAAAR-GGERSCFPSRHARFMVNYATHWTEAREDDLHRQWTRDAIEALAPYGLGTAYVNFTADDAPMHVETLYSTTEFSRLVTLKNRLDPDNVFRNNHNIRPSA |
3W8W Chain:B ((22-466)) | --------------FRGELIWPSDADYDEARRIWNGTIDRRPALIARCTSTPDVVAAVSFARKSGLLVAVRGGGHSMAGHSVCDGGIVIDLSLMNSIKVSRRLRRARAQGGCLLGAFDTATQAHMLATPAGVVSHTGLGGLVLGGGFGWLSRKYGLSIDNLTSVEIVTADGGVLTASDTENPDLFWAVRGGGGNFGVVTAFEFDLHRVGPVRFAS-TYYSLDEGPQVIRAWRDHMATAPDELTWALYLRLAPPLPELPADMHGKPVICAMSCWIGDPHEGERQLESILHAGKPHGLTKATLPYRALQAYSFPGAVVPDRIYTKSGYLNELSDEATDTVLEHAADIASPFTQLELLYLGGAVARVPDDATAYPNRQSPFVTNLAAAWMDPTEDARHTAWAREGYRALAGH-LSGGYVNFMNPGEADRTREAYGAAKFERLQGVKAKYDPTNLFRLNQNIPPS- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3W8W.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -264191 for 4039 contacts (-65.4/contact) +
2D Compatibility (PS) -48286 + (NN) -25416 + (LL) 904
1D Compatibility (HY) -27600 + (ID) 9550
Total energy: -374139.0 ( -92.63 by residue)
QMean score : 0.567
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