Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MSQLMGIITRLQSLQETAEAANEPM-QRYFEVNGEKICSVKYFEKNQTFEL-TVFQKGEKPNTYPFDNIDMVSI-EIFELLQ---------------------------------------------------------------------------------------------------------------- 3KBG Chain:A ((34-227)) KDQSVTLLSIIRDYLKLSDKEREAARILANGLVKVDGKTV-----REKKFAVGFMDVIEINGESYRVVYNDQGALVLMKETKERASMKLLKVRSKVIAPGNRIQLGTHDGRTFITDDKSIKVGDVLAVSVPDMKISEIIKMQPGNKAYITAGSHVNQTGTISKIEAKEGSNLVHFQEGFSTIKDHVFMIGSSKFSFV

General information: TITO was launched using: RESULT: Template: 3KBG.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 : 282 -39044 -138.45 -527.61 target 2D structure prediction score : 0.38 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -138.45 2D Compatibility (Sec. Struct. Predict.) : 0.38 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_3KBG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KBG-query.scw PDB file : Tito_Scwrl_3KBG.pdb: