Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEVKHLKKSYKLGKKNETPVLKDINVTIQDGEFAAIIGKSGSGKSTLLNIISGLDTDYEGKVLYNGEDLQDIDLDAYHFNHIGFIFQ--SFHLVNHMSVVENVKVPLYLNPELSESDRNARALDLLKQVGLEDFASKKPTQLSGGQKQRVAIARSLANNPDMIIADEPTGALDSVTSDEIIKLLKALAAKGTTVIVVTHDLNIADQTDAVLRLADGEVISFERKKEVVQKVTHKNEKKLRLNWWATAKISFKSFFNRKFRNLLVALGTSIGIIAILLAFGLGNGVNQSLSKIFGTTFSPNQITTYYKEDGGSKSPEPTTPLTSSEIKKIKQLYEDENITEIYERTTVQGIKFEYDGEYLKGISGEMQEANFKPSRYEDLTVKDEYLLSGKMVTSDETGAVIPSSVAKAILGKKDSDELTKSDGDKLIGKKITLVYAGRNSDTKNTVKTETTISGITNPSKEGFARGFDVSTKTMNDFIKTTGIEKPILSVDAFTKTTAEAEEIVEKYEDNKDWANYSITNANAFVDTFSQFTDIIVYLIAFIAGLSLAVAGVMIAIVLYIGVVERTREIGVFRAIGYRKRHIRGLFMMEASYIIILANVLSSLVAVTIAKIASPILETKIGFEDMIHISFWNFLVTLAITITIGFIFSIYPSNKAAKLDAAEALRSE |
4HLU Chain:D ((26-246)) | --------------------VLKDVNAEFETGKIYVVVGKNGSGKTTLLKILAGL-LAAAGEIFLDGSPADPFLLR----KNVGYVFQNPSSQIIG-ATVEEDVAFSLEIMG-LDESEMRKRIKKVLELVGLSGLAAADPLNLSGGQKQRLAIASMLARDTRFLALDEPVSMLDPPSQREIFQVLESLKNEGKGIILVTHELEYLDDMDFILHISNGTIDFCGSWEEFVEREFDDVEIPFKWKLWKKC------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4HLU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -83693 for 1708 contacts (-49.0/contact) +
2D Compatibility (PS) -24238 + (NN) -14604 + (LL) 31616
1D Compatibility (HY) -20400 + (ID) 3750
Total energy: -115069.0 ( -67.37 by residue)
QMean score : 0.515
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