Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKNIGGMKMIKGSIVALITPMNEEGSVDYAGLEKLIQFHLDEQTDGLLVLGTTGESSTLTQSEEEQILQLTVKKVAGRVPVIAGAGTNNTKETIEKAKHFASLGADAL-LVITPYYNKTSDAGLAAHFTAIAEASPIPLILYNVPSRTGMSIPIHVLVNLAEHPNIIGLKEAS--GDMAYVMDAARLIGEEFFLYSGNDDLILPVMSVGGSGVISVWANIQPKIVHELVKDTQDGRWQQAKEKQLNALELIHALFSETNPIPVKAAMSLLDLPSGPLRLPLVSLSKEKKKQLAQLLLKERTVEK 3VFL Chain:A ((12-294)) --------------ITAFITPFHEDGSINFDAIPALIEHLLAHHTDGILLAGTTAESPTLTHDEELELFAAVQKVVNGRVPLIAGVGTNDTRDSIEFVKEVAEFGGFAAGLAIVPYYNKPSQEGMYQHFKAIADASDLPIIIYNIPGRVVVELTPETMLRLADHPNIIGVKECTSLANMAYLIEHKP---EEFLIYTGEDGDAFHAMNLGADGVISVASHTNGDEMHEMFTAIAESDMKKAAAIQRKFIPKVNALFSYPSPAPVKAILNYMGFEAGPTRLPLVPAPEEDVKRIIKVVV-------

General information: TITO was launched using: RESULT: Template: 3VFL.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 : 1528 -82234 -53.82 -295.81 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -53.82 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.579

(partial model without unconserved sides chains): PDB file : Tito_3VFL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VFL-query.scw PDB file : Tito_Scwrl_3VFL.pdb: