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



Input alignment information:
Query sequenceMKKIVESTTFPRTKQSITEDLKALGLKKGMTVLVHSSLSSIGWVNGGAVAVIQALIDVVTEEGTIVMPSQSVELSDPKEWGNPPVPEEWWDIIRESMPAYNSNYTPTTRGMGQIVELFRSYPEVKRSNHPNYSFVAWGKHKNKILNQHPLEFGLGEQSPLGKLYIRESYVLLLGADFDSSTCFHLAEYRIPY--QKIINRGAPIIVEGKRV-WKEYKELEFREELFQEVGQA-FEAEHNMKVGKVGSANCRLFSLTEAVDFAEKWFINNDSKNIKK
3SMA Chain:A ((23-277))------------TRDRLASDLAALGVRPGGVLLVHASLSALGWVCGGAQAVVLALQDAVGKEGTLVMPTFSGDLSDPSTWRRPPVPEDWWPVIREQMPPFDPDLTP-TRGMGAVAECFRRAAGAVRSGHPQNSFAAWGAHAEQVVAEHGLTERLGRGSPLEQVYRLDGQVLLLGCGFESNTSFHLAEYRTAYPGRRSHRRRVP-VPEGDRVRWVEQEDIVYFEEDFQTMGESCLTRTPGHSRGTVGEAAAVLYGQRAFVDLACEWMTAH-------


General information:
TITO was launched using:
RESULT:

Template: 3SMA.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 : 1380 -125827 -91.18 -501.30
target 2D structure prediction score : 0.63
Monomeric hydrophicity matching model chain A : 0.79

3D Compatibility (PKB) : -91.18
2D Compatibility (Sec. Struct. Predict.) : 0.63
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.507

(partial model without unconserved sides chains):
PDB file : Tito_3SMA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3SMA-query.scw
PDB file : Tito_Scwrl_3SMA.pdb: