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



Input alignment information:
Query sequenceMKILVLAVHPHMETSVVNKAWAEELSKHDNITVRDLYKEYPDEAIDVAKEQQLCEEYDRIVFQFPLYWYSSPPLLKKWQDLVLTYGWAFGSEG----NALHGKELMLAVSTGSEAEKYQAGGANHYSISELLKPFQ-ATSNLIGMKYLPPYVFYGVNYAAAEDISHSAKRLAEYIQQPFV
4GR9 Chain:A ((81-199))-------------------------------------------ASDITDEQKKVREADLVIFQFPLYWFSVPAILKGWMDRVLCQGFAFDIPGFYDSGLLQGKLALLSVTTGGTAEMYTKTGVNGDS-RYFLWPLQHGTLHFCGFKVLAPQISFAPEIASEEE-----------------


General information:
TITO was launched using:
RESULT:

Template: 4GR9.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 : 442 -23203 -52.49 -203.53
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.70

3D Compatibility (PKB) : -52.49
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.70
QMean score : 0.493

(partial model without unconserved sides chains):
PDB file : Tito_4GR9.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4GR9-query.scw
PDB file : Tito_Scwrl_4GR9.pdb: