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



Input alignment information:
Query sequenceMFPVELDNVTVAYHKKPVLQDISLQVPEGKLIGIIGPNGAGKSTLIKTILGLVPRASGDISIYGKDYKDQRTRIGYVPQR-GSVDWDFPTSP-LDVVLMGRYGRIGLLKRPKKADVEMAKAALTKVGMHDYAKRQISQLSGGQQQRVFLARALCQNADIYFMDEPFAGVDAATERAIMTLLAELKEKGKTVLVVHHDLQTAEDYFDWILLLHLRKIAFGPTENVFTIENLQKTYGGRLTFLKDKVLAEGHKE
4YMV Chain:A ((16-209))-----------------VLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFM-----------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4YMV.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 912 -25644 -28.12 -133.56
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain A : 0.72

3D Compatibility (PKB) : -28.12
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.72
QMean score : 0.493

(partial model without unconserved sides chains):
PDB file : Tito_4YMV.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YMV-query.scw
PDB file : Tito_Scwrl_4YMV.pdb: