Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNTELELLRQKADELNLQILKLINERGNVVKEIGKAKEAQGVNRFDPVRERTMLNNIIENNDGPFENSTIQHIFKEIFKAGLELQEEDHSKALLVSRKKKPEDTIVDIKGEKIGDGQQRFIVGPCAVESYEQVAEVAAAAKK-----QGIKILRGGAFKP--RTSPYDFQGLGVE-GLQILKRVADEFDLAVISEIVTPAHIEEALDYIDVIQIGARNMQNFELLKAAGAVKKPVLLKRGLAATISEFINAAEYIMSQGNDQIILCERGIRTYETATRNTL--DISAVPILKQETHLPVFVDVTHST----GRRDLLLPTAKAALAIGADGVMAEVHPDPSVALSDSAQQMAIPEFEKWLNELKPMVKVNA 2A2I Chain:B ((7-244)) -------------------------------------------------------------------------------------------------------------------------IAGPCAIESEELLLKVGEEIKRLSEKFKEVEFVFKSSFDKANRSSIHSFRGHGLEYGVKALRKVKEEFGLKITTDIHESWQAEPVAEVADIIQIPAFLCRQTDLLLAAAKTGRAVNVKKGQFLAPWDTKNVVEKLKFGGAKEIYLTERGT----TFGYNNLVVDFRSLPIMKQWAK--VIYDATHSVQLPGGMREFIFPLIRAAVAVGCDGVFMETHPEPEKALSDASTQLPLSQLE--------------

General information: TITO was launched using: RESULT: Template: 2A2I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1154 16940 14.68 78.06 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : 14.68 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_2A2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2A2I-query.scw PDB file : Tito_Scwrl_2A2I.pdb: