Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VATKHEQILKYIENLAVGEKISVRKIAKNLSVSEGTAYRAIKDAEIIGFVSTIKRVGTLRIERKQKDSIEKLTFAEIVNMIDGQVLGGRAGLYKSLNKFVIGAMTVEAMERYTDAGNLLIVGNRVSAHELALKRGAAVLITGGFDTDDEVKQLADEKELPILSTSYDTFTVATMINRAIYDQLIKKEVVFVEDILTPLETTAFLSTSDKVEDWHKMEEAT------GHSRFPVVNRAMRLTGMVTSKDIL----------EKNPSISIERVMTKNPLTVGPKMSVASVAHMMIWESIEVIPVVKDDLTLIGIVSRQDILKSMQMIQKQPQVGETIDDTIANQLSEKTDTGEEADYEFKVSPQMTNSLGTLSYGVFTQVVCEVVQQKLFSMKKRNVAIENVTMYFLKPVQMDATIIIKPRILEMGRKAGKLDVELYLEGILTGKAIVACQMMER |
3K6E Chain:A ((18-143)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ETFLTPAKNLAVLI------DTHNADHATLLLSQMTYTRVPVVTD-KQFVGTIGLRDIMAYQMEHDLSQEIMADTDIVHMTKTDVAVVSPDFTITEVLHKLVDESF--LPVVDAEGIFQGIITRKSILKAVNAL-------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3K6E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -69216 for 734 contacts (-94.3/contact) +
2D Compatibility (PS) -11774 + (NN) -1225 + (LL) 27220
1D Compatibility (HY) -6800 + (ID) 1700
Total energy: -63495.0 ( -86.51 by residue)
QMean score : 0.405
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