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



Input alignment information:
Query sequenceMTRPDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWEVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTIHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM
5KNK Chain:B ((10-333))---PDSKSMNYQLLKTFSRQPIQFGRFLARLLAGLVNTLKITRTSKSIELNLRIALPYLTPQQRIAITEKAVRNELTSYFEFLSIWGSSNSKNISRIHRIEGEHFFHEALAAKKGVVLIVPHFGTWAVMNAWCAQFTSMTILYKPVKNADADRFVREARSREQANLVPTDESGVRQIFKALKQGETTVILPDHTPNVGGDMVNYFGVPLASSNLSAKLIQKTKAKALFLYAIRNENDGFTMHIEPMDEKIYEGTADDGTYVIHQAIEQLIYQYPEHYHWSYKRFKANPALDNIYNIDPTEALKIVDRLKAEALKTSTQPEPIQTSVM


General information:
TITO was launched using:
RESULT:

Template: 5KNK.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1364 -152187 -111.57 -469.71
target 2D structure prediction score : 0.80
Monomeric hydrophicity matching model chain B : 0.99

3D Compatibility (PKB) : -111.57
2D Compatibility (Sec. Struct. Predict.) : 0.80
1D Compatibility (Hydrophobicity) : 0.99
QMean score : 0.547

(partial model without unconserved sides chains):
PDB file : Tito_5KNK.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-5KNK-query.scw
PDB file : Tito_Scwrl_5KNK.pdb: