Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLL-SNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAKNSQPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFFW--SDPMPSDLKGMLSTHLTSMFEYLAPPRRKGSQITQQSTNQSRNPATTNQTEFERVF |
3R1Y Chain:A ((12-302)) | ------------------FQKVEKIGEGTYGVVYKARNKLTGEVVALKKIR----TEGVPSTAIREISLLKELNHPNIVKLLDVIHT--------ENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRT----YTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDY-KPSFPKWARQDFSKVVPPLDED--GRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL----------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R1Y.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -172946 for 2191 contacts (-78.9/contact) +
2D Compatibility (PS) -29744 + (NN) -5332 + (LL) 4144
1D Compatibility (HY) -31200 + (ID) 6050
Total energy: -241128.0 ( -110.05 by residue)
QMean score : 0.479
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