Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDEQSQGMQGPPVPQFQPQKALRPDMGYNTLANFRIEKKIGRGQFSEVYRAACLLDGVPVALKKVQIFDLMDAKARADCIKEIDLLKQLNHPNVIKYYASFIEDNELNIVLELADAGDLSRMIKHFKKQKRLIPERTVWKYFVQLCSALEHMHSRRVMHRDIKPANVFITATGVVKLGDLGLGRFFSS--KTTAAHSLVGTPYYMSPERIHENGYN-FKSDIWSLGCLLYEMAALQSPFYGDKMNLYSLCKKIEQCDY--PPLPSDHYSEELRQLVNMCINPDPEKRPDVTYVYDVAKRMHACTASS |
| 4CZT Chain:D ((6-256)) | --------------------------GRTRVGKYELGRTLGEGTFAKVKFARNVENGDNVAIKVIDKEKVLKNKMIAQIKREISTMKLIKHPNVIRMFEVMASKTKIYFVLEFVTGGELFDKISSNGRLK----EDEARKYFQQLINAVDYCHSRGVYHRDLKPENLLLDANGALKVSDFGLSALPQQVREDGLLHTTCGTPNYVAPEVINNKGYDGAKADLWSCGVILFVLMAGYLPF--EDSNLTSLYKKIFKAEFTCPPW----FSASAKKLIKRILDPNPATRITFAEVIENEWFKKGYKAPK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4CZT.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -107788 for 1894 contacts (-56.9/contact) +
2D Compatibility (PS) -26404 + (NN) -9644 + (LL) 1092
1D Compatibility (HY) -17600 + (ID) 4150
Total energy: -164494.0 ( -86.85 by residue)
QMean score : 0.446
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