Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MNLFKTIGIIGGGQLGQMMAIAAIYMGHKVITLDPASDCSASRVSEV-IVAPYDDVEALGQLAARCDVLTYEFENVDADGLDAVVS-AGQLPQGTDLLRISQNRIFEKDFLANKAGVTVAPYKVVTSSLDLEG--FDLTKTYVLKTATGGYDGHGQKVIRSAEDLPEAQQLANSAECVLEEFVDFDLEISVIVSGN-GQDVTVFPVQENIHRNNILSKTIVPARISDQLADKAKKMAVQIAKELQLSGTLCVEMFVTAD-DIIVNEIAPRPHNSGHYSIEACDFSQFDTHILGVLGQPLPPIKLHAPAVMLNVL-GQ-HVQQAIDYVAENPSAHLHIYGKLEAKHNRKMGHVTVFTEDADEVEEF |
3Q2O Chain:A ((13-371)) | --PGKTIGIIGGGQLGRMMALAAKEMGYKIAVLDPTKNSPCAQVADIEIVASYDDLKAIQHLAEISDVVTYEFENIDYRCLQWLEKHAYLP-QGSQLLSKTQNRFTEKNAIE-KAGLPVATYRLVQNQEQLTEAIAELSYPSVLKTTTGGYDGKGQVVLRSEADVDEARKLANAAECILEKWVPFEKEVSVIVIRSVSGETKVFPVAENIHVNNILHESIVPARITEELSQKAIAYAKVLADELELVGTLAVEMFATADGEIYINELAPRPHNSGHYTQDACETSQFGQHIRAICNLPLGETNLLKPVVMVNILGEHIEGV--LRQVNRLTGCYLHLYGKEEAKAQRKMGHVNILNDNIEVALEK |
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General information:
TITO was launched using:
| RESULT:
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Template: 3Q2O.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -198737 for 2981 contacts (-66.7/contact) +
2D Compatibility (PS) -39193 + (NN) -19847 + (LL) 172
1D Compatibility (HY) -27200 + (ID) 8750
Total energy: -293555.0 ( -98.48 by residue)
QMean score : 0.526
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