Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKQIQTEADELGFFGEYGGQYVPETLMPAIIELKKAYKEAKADPEFQRELEYYLSEYVGRATPLTYAASYTESLGGAKIYLKREDLNHTGAHKINNALGQALLAKRMGKKKLVAETGAGQHGVASATVAALFDMELVVFMGSEDIKRQQLNVFRMELLGAKVVAVEEGQGTLSDAVNKALQYWVSHVDDTHYLLGSALGPDPFPTIVRDFQSVIGKEIKSQILKKEGRLPDAIVACIGGGSNAIGTFYPFIKD-DVALYGVEAAGQGEDTDKHALAIGKGSPGVLHGTKMYLIQDEGGQVQLAHSISAGLDYPGIGPEHSYYHDIGRVTFENASDTQAMNALINFTKHEGIIPAIESAHALSY-VERLAPTMSKEDIIVVTISGRGDKDMETIRQYMAERGLAND |
1A50 Chain:B ((7-390)) | -------------YFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTR-TTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRGDKDIFTVHDIL-------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1A50.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -147050 for 3708 contacts (-39.7/contact) +
2D Compatibility (PS) -42012 + (NN) -17616 + (LL) 1136
1D Compatibility (HY) -33200 + (ID) 9700
Total energy: -248442.0 ( -67.00 by residue)
QMean score : 0.495
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