Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequenceMFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQR-GSVDWDFPTSPLDVVLMG-RYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE
3C41 Chain:K ((18-211))-----------------VLKGINVHIREGEVVVVIGPSGSGKSTFLRCLNLLEDFDEGEIIIDGINLKAKDTNLNKVREEVGMVFQRFNLFPHMTVLNNITLAPMKVRKWPREKAEAKAMELLDKVGLKDKAHAYPDSLSGGQAQRVAIARALAMEPKIMLFDEPTSALDPEMVGEVLSVMKQLANEGMTMVVVTHEMGFAREVGDRVLFM-----------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3C41.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain K - contact count / total energy / energy per contact / energy per residue : 911 -36254 -39.80 -188.82
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain K : 0.71

3D Compatibility (PKB) : -39.80
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.71
QMean score : 0.495

(partial model without unconserved sides chains):
PDB file : Tito_3C41.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3C41-query.scw
PDB file : Tito_Scwrl_3C41.pdb: