Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLEVKHLKKSYKLGKKNETPVLKD-INVTIQDGEFAAIIGKSGSGKSTLLNIISGLDTDYEGKVLYNGEDLQDIDLDAYHFNHIGFIFQSFHLVNHMSVVENVKVPLYLNPELS-----ESDRNARALDLLKQV--GLEDFASKKPTQLSGGQKQRVAIARSLANNPDMIIADEPTGALDSVTSDEIIKLLKALAAKGTTVIVVTHDLNIADQTDAVLRLADGEVISFERKKEVVQKVTHKNEKKLRLNWWATAKISFKSFFNRKFRNLLVALGTSIGIIAILLAFGLGNGVNQSLSKIFGTTFSPNQITTYYKEDGGSKSPEPTTPLTSSEIKKIKQLYEDENITEIYERTTVQGIKFEYDGEYLKGISGEMQEANFKPSRYEDLTVKDEYLLSGKMVTSDETGAVIPSSVAKAILGKKDSDELTKSDGDKLIGKKITLVYAGRNSDTKNTVKTETTISGITNPSKEGFARGFDVSTKTMNDFIKTTGIEKPILSVDAFTKTTAEAEEIVEKYEDNKDWANYSITNANAFVDTFSQFTDIIVYLIAFIAGLSLAVAGVMIAIVLYIGVVERTREIGVFRAIGYRKRHIRGLFMMEASYIIILANVLSSLVAVTIAKIASPILETKIGFEDMIHISFWNFLVTLAITITIGFIFSIYPSNKAAKLDAAEALRSE |
3B5J Chain:A ((14-227)) | ---------------KPDSPVILDNINLSIKQGEVIGIVGRAGSGKSTLTKLIQRFYIPENGQVLIDGHDLALADPN-WLRRQVGVVLQDNVLLNR-SIIDNISLA---NPGMSVEKVIYAAKLAGAHDFISELREGYNTIVGEQGAGLSGGQRQRIAIARALVNNPKILIFDEATSALDYESEHVIMRNMHKI-CKGRTVIIIAHRLSTVKNADRIIVMEKGKIVEQGKHKELL------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B5J.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -76173 for 1540 contacts (-49.5/contact) +
2D Compatibility (PS) -21448 + (NN) -8087 + (LL) 33784
1D Compatibility (HY) -18400 + (ID) 3650
Total energy: -93974.0 ( -61.02 by residue)
QMean score : 0.466
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