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



Input alignment information:
Query sequenceMDSQGRKVVVCDNGTGFVKCGYAGSNFPEHIFPALVGRPIIRSTTKVGNIEIKDLMVGDEASELRSMLEVNYPMENGIVRNWDDMKHLWDYTFGPEKLNIDTRNCKILLTEPPMNPTKNREKIVEVMFETYQFSGVYVAIQAVLTLYAQGLLTGVVVDSGDGVTHICPVYEGFSLPHLTRRLDIAGRDITRYLIKLLLLRGYAFNHSADFETVRMIKEKLCYVGYNIEQEQKLALETTVLVESYTLPDGRIIKVGGERFEAPEALFQPHLINVEGVGVAELLFNTIQAADIDTRSEFYKHIVLSGGSTMYPGLPSRLERELKQLYLERVLKGDVEKLSKFKIRIEDPPRRKHMVFLGGAVLADIMKDKDNFWMTRQEYQEKGVRVLEKLGVTVR
2W4U Chain:I ((1-372))-DEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVM--VGMGQKDSYVGDEAQSKRGILTLKYPIEHGIITNWDDMEKIWHHTFYN-ELRVAPEEHPTLLTEAPLNPKANREKMTQIMFETFNVPAMYVAIQAVLSLYASGRTTGIVLDSGDGVTHNVPIYEGYALPHAIMRLDLAGRDLTDYLMKILTERGYSFVTTAEREIVRDIKEKLCYVALDFENEMATAASSSSLEKSYELPDGQVITIGNERFRCPETLFQPSFIGMESAGIHETTYNSIMKCDIDIRKDLYANNVMSGGTTMYPGIADRMQKEITALAPST-----------MKIKIIAPPERKYSVWIGGSILASLST-FQQMWITKQEYDEAGPSIVHR------


General information:
TITO was launched using:
RESULT:

Template: 2W4U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain I - contact count / total energy / energy per contact / energy per residue : 2020 -182817 -90.50 -491.44
target 2D structure prediction score : 0.61
Monomeric hydrophicity matching model chain I : 0.84

3D Compatibility (PKB) : -90.50
2D Compatibility (Sec. Struct. Predict.) : 0.61
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.487

(partial model without unconserved sides chains):
PDB file : Tito_2W4U.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2W4U-query.scw
PDB file : Tito_Scwrl_2W4U.pdb: