Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSARIAERAMAALGRSGMGARATRVGGGRASEVFLVQGGDSELIAYWLPEGGAREARRRFALLERMAGQFRLAPRPLAVDEDG---DAALLLVEKLEGVAPAACGP--LAPDTVRRLAENFIGTLASLHALEVAPADR-----PPDYLRRILSEWRRRWNAEEAGGAIDADFSAVADWLTERMPE--TAPAAWLHNDYKLDNILVDPGDPARVVGVVDWELAAVGHPLADLGAALAYWIESRDSSLLRLDAPGPSCAPGAPTREALVDLYAAAAGREV-TEPAYWYAYGLLRLAVITQQLALRRRDEGQRVPRAK-L--IVRWLLDRAAEACGGGRL 3DXP Chain:A ((41-357)) -------------------LSVEQFKG-QSNPTFKLVTPGQTYVMRAKPG----AIEREYRVMDALAGTDVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIGLGDYGKPGNYFQRQIERWTKQYKLSE-TESI-PAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTE-PRVLAVLDWELSTLGHPMGDFGYHCMSWHIAPGQFRGIA-G-LDHAALGIPDEASYRKLYEQRTGRPITGDWNFYLAFSMFRIAGILQGIMKRVVDGTASSAQALDAGKRARPMAEMGWEYAKKA--

General information: TITO was launched using: RESULT: Template: 3DXP.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 : 1269 -47442 -37.39 -163.59 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -37.39 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_3DXP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxp-query.scw PDB file : Tito_Scwrl_3DXP.pdb: