Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNKQIQTEADELGFFGEYGGQYVPETLMPAIIELKKAYKEAKADPEFQRELEYYLSEYVGRATPLTYAASYTESLGGAKIYLKREDLNHTGAHKINNALGQALLAKRMGKKK-LVAETGAGQHGVASATVAALFDMELVVFMGSEDIKRQQLNVFRMELLGAKVVAVEEGQGTLSDAVNKALQYWVSHVDDTHYLLGSALGPDPFPTIVRDFQSVIGKEIKSQILKKEGRLPDAIVACIGGGSNAIGTFYPFIK-DDVALYGVEAAGQGEDTDKH--ALAIGKGSPGVLHGTKMYLIQDEGGQVQLAHSISAGLDYPGIGPEHSYYHDIGRVTFENASDTQAMNALINFTKHEGIIPAIESAHALSYVERLAPTMSKEDIIVVTISGRGDKDMETIRQYMAERGLAND- |
2TYS Chain:B ((3-397)) | ------TLLN--PYFGEFGGMYVPQILMPALNQLEEAFVRAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTR-TTLYLKREDLLHGGAHTTNQVLGQALLAKRMGKS-EIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHG--RVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQPEKEQLLVVNLSGRG--DKDIFTVHDILKARGEI |
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General information:
TITO was launched using:
| RESULT:
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Template: 2TYS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -127804 for 3787 contacts (-33.7/contact) +
2D Compatibility (PS) -42757 + (NN) -18874 + (LL) 688
1D Compatibility (HY) -28800 + (ID) 9200
Total energy: -226747.0 ( -59.88 by residue)
QMean score : 0.492
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