Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLHFTFLGTSSGVPT----------------LSRNVSGLAVRNSK---NKDWILVDAGEGTQHRIQQARLSLQNLIAICITHVHGDHCYGLVGLLASAGMNARNNPLIVIAPKEIQQWFEITAQLTDLH---L--PYSIKFIDVNEATRPQQLT----DELFIQAHPLSHR-VPSFAFSIYIKSTQKKIDIQALTQLGIPKGDIWGHLKRGYDVEFEGRILKSQDFIKIQNQQIHAIIGGDNDRPE-LLADACKDAQLLIHEATYLQTVLDKVGKGPMHSSAKMVAEFAEQQSLDNLILTHFSPRHQDKTGQQAIIEEVRQFYKGHFYLANDFDEFTLNETGQLLKIE 3MD7 Chain:A ((28-292)) CLRFTLLGCGSSPGVPRINGDWGKCDPKNPKNRRRRASLLVERYDAEGNNTVVVIDTGPDFRMQMIDS--GVHMLDAAVYTHPHADHIHGIDDLRTYVVD--NGRLMDVYANRLTRNRLYDTFGYCFETPVGSSYPPILSMHDIAP-E-TPFSIEGAGGAIRFEPFSQVHGDIESLGFRI-----------------------------------------------------GSVVYCTDVSAFPEQSLQYIKDADVLIIGALQYRP------H-PSHFSLGEALEWIEKLSPKRAILTHMHVPLDYE----TV----MRETPHHVEPGYDGLRFEVA---------

General information: TITO was launched using: RESULT: Template: 3MD7.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 : 1262 -39504 -31.30 -168.10 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -31.30 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.390

(partial model without unconserved sides chains): PDB file : Tito_3MD7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3MD7-query.scw PDB file : Tito_Scwrl_3MD7.pdb: