Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAKQYDSVECPFCDEVSKYEKLAKIGQGTFGEVFKARHRKTGQKVALKKVLMENEKEGFPITALREIKILQLLKHENVVNLIEICRTKASPYNRCKGSIYLVFDFCEHDLAGLLSNVLVKFTLSEIKRVMQMLLNGLYYIHRNKILHRDMKAANVLITRDGVLKLADFGLARAFSLAKNSQPNRYTNRVVTLWYRPPELLLGERDYGPPIDLWGAGCIMAEMWTRSPIMQGNTEQHQLALISQLCGSITPEVWPNVDNYELYEKLELVKGQKRKVKDRLKAYVRDPYALDLIDKLLVLDPAQRIDSDDALNHDFFWSDPMPSDLKGMLSTHLTSMFEYLAPPRRKGSQITQQSTNQSRNPATTNQTEFERVF |
3NIZ Chain:A ((19-307)) | --------------LMEKYQKLEKVGEGTYGVVYKAKDS-QGRIVALKRIR------GIPSTAIREISLLKELHHPNIVSLIDVIHSE--------RCLTLVFEFMEKDLKKVLDENKTGLQDSQIKIYLYQLLRGVAHCHQHRILHRDLKPQNLLINSDGALKLADFGLARAFGI----PVR---HEVVTLWYRAPDVLMGSKKYSTSVDIWSIGCIFAEMITGKPLFPGVTDDDQLPKIFSILGTPNPREWPQVQELPLWKQRTFQVFEKKPWSSIIPGF--CQEGIDLLSNMLCFDPNKRISARDAMNHPYFKDL------------------------------------------------------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3NIZ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -176979 for 2200 contacts (-80.4/contact) +
2D Compatibility (PS) -29722 + (NN) -10526 + (LL) 5080
1D Compatibility (HY) -30000 + (ID) 5700
Total energy: -247847.0 ( -112.66 by residue)
QMean score : 0.595
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