Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTTATGTTWRQRLEAYYYLCRFDKPIGTELVFWPTMWALWVASKGIPNLGILFVMILGVIFMRAAGCAINDFADRKVDGHVE--RTKTRPLATGVIRAREAAYVFLGLVLASACLLFFLPIETFYWSFGALFLAFIY---PFMKRYTNLPQVFLGAAFSWSIPMAFTAVGKTPDLTCWLLYFGNLAWTVAYDTQYAITDREYDLKIGVKSTAILFGRYDIQI-IALLQAISLVLIGTALYLENILFPWAIIALVVVAFDFIYQTIKTKDR-----NPQVCFWAFRHNRWVGLIIFLGIFLNFI 4TQ3 Chain:A ((15-301)) -------------SKYLRLLR---PVAWLCFLLPYAVGFGFGITPNASLQHAVLGLLSFAFWMAFSFTINALYDRDVDRLHDGLNLSMQPLVTGEISVREAWLYCIAFLALSLATAAAINEKFFLAMLGANIIGYVYSAPPRFKAWPVMDVICNALAAVLAFYAGLSIGGAEVPIA---IYPAAFFLAATFYIPTAVSDYEFDKKAGLKNTPVFFGPERALKSLYPLSAITVILWAYVFLMAER-IEIKVISPLIIAYTLIYTFIINSRWDGEKLNVSPNLILTPFGIISALFIAYGFAVISV

General information: TITO was launched using: RESULT: Template: 4TQ3.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 : 1295 -213664 -164.99 -785.53 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -164.99 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.350

(partial model without unconserved sides chains): PDB file : Tito_4TQ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TQ3-query.scw PDB file : Tito_Scwrl_4TQ3.pdb: