Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSALNW--------------KPFVYGGLASITAECGT----------------FPIDLTKTRLQIQGQTNDAKFKEIRYRGML----HALVRIGREEGLKALYSGIAPAMLRQASYGTIKI-----GTYQSLKRLFIE---RPEDETLPINVIC-----------GILSGVISSTIANPTDVLKIRMQAQSNTIQGG----MIGNFMNIYQQEGTRGLWKGVSLTAQRAAIVVGVELPVYDI------TKKHL-----ILSGLMGDTVYTHFLSSFTCGLAGALASNPVDVVRTRMMNQRVLRDGRCSGYTG-----------TLDCLLQTWKNEGFFALYKGFWPNW------LRLGPWNI-------------------IFFVTYEQLKKLDL-------------------------------- |
4QLA Chain:A ((19-442)) | LDLEEWWGPPELKQKQDTSIKPFEITFSETMVKELKERIKKRRPFAPPLEGVGFKYGFNSKQLDSWLKYWAEEYPFAERQKFLNQYPHFKTNI---QGLNIHFMRITPKVPKGVEIVPLLLLHGWPGSVREFYEAIPHLTAVSKDRNFALEIIAPSLPGYGFSDAAVRPGLAAAEVAVIFKNLMARLGYKQYYVQGGDWGALIGSAMATFFPKEIIGFHSNMALTLSPAATFLEFVGALFPSLIVEPELANRLYPLSEKYSTLLEELGYMHIQATKPDTVGIGLTDSPAGLLAYILEKFSTWTNPDLRSKEDGGLSYRWTKDQLIDNLMLYWSTKSIVTSMRLYAESFSSRHFDLKLDEIQVQVPTWVLQAKHELAYQPPCILKMKYPKLVNASVIEDGGHFLAFELPEIFAKDVLKAIGEFRKLKN |
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General information:
TITO was launched using:
| RESULT:
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Template: 4QLA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -93398 for 1886 contacts (-49.5/contact) +
2D Compatibility (PS) -29166 + (NN) 3401 + (LL) 32
1D Compatibility (HY) -16400 + (ID) 2350
Total energy: -137881.0 ( -73.11 by residue)
QMean score : 0.122
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