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



Input alignment information:
Query sequenceMLKQTLLYTGKAKSVYETDNADHLILVFRDDASAFNGEKIEQLDRKGKVNNRFNAFIMEKLAEAGIETHFEKLLSPTEVLVKKLQMIPVECVIRNYAAGSLCRRLGVEEGKELTPPTFELFYKDDGLGDPMVNESQAIALGWATAEQLEQMKVLTYKVNDVLKALFAEGNMILVDFKLEFGVF-H---DRIVLGDEFSPDGCRLWDKDTKKKLDKDRFRQGLGGVVEAYEEVAARLGVDLSDI
3KRE Chain:A ((26-261))----EKIYEGKAKIIFATLNPLEVIQHFKDEITAFNNKKAAIIHEKGILNNYISSFLMKKLIDKGIKTHFISLLNQREQLVKKITIIPIEVVIRNLAAGNFSKRFQIADGTPFKSPIIEFYYKNDELSDPMVSEGHILSFQWLTNQELEKIKILSLKINNILSELFFNVGIKLVDFKLEFGKLHNDEQSDLFLADEISPDTCRLWDISTNKRLDKDRYRLNLGNVIEGYREVAHKLNAIP---


General information:
TITO was launched using:
RESULT:

Template: 3KRE.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 : 1160 -52660 -45.40 -226.98
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain A : 0.84

3D Compatibility (PKB) : -45.40
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.84
QMean score : 0.492

(partial model without unconserved sides chains):
PDB file : Tito_3KRE.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3KRE-query.scw
PDB file : Tito_Scwrl_3KRE.pdb: