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



Input alignment information:
Query sequenceMFKFKKNFLVGLSAALMSISLFSATASAASTDYWQNWTDGGGIVNAVNGSGGNYSVNWSNTGNFVVGKGWTTGSPFRTINYNAGVWAPNGNGYLTLYGWTRSPLIEYYVVDSWGTYRPT--GTYKGTVKSDGGTYDIYTTTRYNAPSIDGDRTTFTQYWSVRQSKRPTGSNATITFSNHVNAWKSHGMNLGSNWAYQVMATEGYQSSGSSNVTVW
3AKR Chain:A ((14-189))--------------------------------FYSYWNDGHGGVTYTNGPGGQFSVNWSNSGNFVGGKGWQPGTKNKVINF-SGSYNPNGNSYLSVYGWSRNPLIEYYIVENFGTYNPSTGATKLGEVTSDGSVYDIYRTQRVNQPSIIGT-ATFYQYWSVRRNHRSSGS---VNTANHFNAWAQQGLTLGT-MDYQIVAVEGYFSSGSASITV-


General information:
TITO was launched using:
RESULT:

Template: 3AKR.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 : 1023 -6422 -6.28 -36.91
target 2D structure prediction score : 0.53
Monomeric hydrophicity matching model chain A : 0.79

3D Compatibility (PKB) : -6.28
2D Compatibility (Sec. Struct. Predict.) : 0.53
1D Compatibility (Hydrophobicity) : 0.79
QMean score : 0.547

(partial model without unconserved sides chains):
PDB file : Tito_3AKR.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AKR-query.scw
PDB file : Tito_Scwrl_3AKR.pdb: