Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VATKHEQILKYIENLAVGEKISVRKIAKNLSVSEGTAYRAIKDAEIIGFVSTIKRVGTLRIERKQKDSIEKLTFAEIVNMIDGQVLGGRAGLYKSLNKFVIGAMTVEAMERYTDAGNLLIVGNRVSAHELALKRGAAVLITGGFDTDDEVKQLADEKELPILSTSYDTFTVATMINRAIYDQLIKKEVVFVEDILTPLETTAFLSTSDKVEDWHKMEEATGHSRFPVVNRAMRLTGMVTSKDI---LEKNPSISIERVMTKNPLTVGPKMSVASVAHMMIWESIEVIPVVKDDLTLIGIVSRQDILKSMQMIQKQPQVGETIDDTIANQLSEKTDTGEEADYEFKVSPQMTNSLGTLSYGVFTQVVCEVVQQKLFSMKKRNVAIENVTMYFLKPVQMDATIIIKPRILEMGRKAGKLDVELYLEGILTGKAIVACQMMER |
3KPD Chain:A ((33-114)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NHLPIVDEHGKLVGIITSWDIAKALAQNKK-TIEEIMTRNVITAHEDEPVDHVAIKMSKYNISGVPVVDDYRRVVGIVTSEDI--------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3KPD.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -50155 for 476 contacts (-105.4/contact) +
2D Compatibility (PS) -8467 + (NN) -904 + (LL) 29736
1D Compatibility (HY) -6400 + (ID) 1500
Total energy: -37690.0 ( -79.18 by residue)
QMean score : 0.457
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