Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MRHSKRTYCPDWDDKDWDYGKWRSSSSHKRRKRSHSSAQENKRCKYNHSKMCDSHYLESRSINEKDYHSRRYIDEYRNDYTQGCEPGHRQRDHESRYQNHSSKSSGRSGRSSYKSKHRIHHSTSHRRSHGKSHRRKRTRSVEDDEEGHLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKAGGRHVAVKIVKNVDRYCEAARSEIQVLEHLNTTDPNSTFRC--VQMLEWFEHHGHICIVFELLG--LSTY-DFIKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSDYTEAYNPKIKRDERTLINPDIKVVDFGSATYDDEHHSTLVSTRHYRAPEVILALGWSQPCDVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLPKHMIQKTRKRKYFHHDRLDWDEHSSAGRYV--SRRCKPLKEFMLSQDVEHERLFDLIQKMLEYDPAKRITLREALKHPFFDLLKKSI |
| 4AUA Chain:A ((12-300)) | ---------------------------------------------------------------------------------------------------------------------------------------------------------------QYECVAEIGEGA-GKVFKARDLKNGGRFVALKR---------STIREVAVLRHLETFEHPNVVRLFDVC--------TKLTLVFEHVDQDLTTYLDKVPEPGV---PTETIKDMMFQLLRGLDFLHSHRVVHRDLKPQNILVTSSG-------------------QIKLADFGLA------------TLWYRAPEVLLQSSYATPVDLWSVGCIFAEMFRRKPLFRGSSDVDQLGKILDVIG-LPGEE---------------DWPRDVALPRQAFHSKSAQPIEKFVTDID---ELGKDLLLKCLTFNPAKRISAYSALSHPYFQ------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4AUA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172130 for 1897 contacts (-90.7/contact) +
2D Compatibility (PS) -26474 + (NN) -13431 + (LL) 11240
1D Compatibility (HY) -20800 + (ID) 5000
Total energy: -226595.0 ( -119.45 by residue)
QMean score : 0.465
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