Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDGPGSDPIDRALAAAFPDR-EVDRLTGVGPSWNGANETVDVAFADGGRAFLKVALADESNRLARARAVLRYVGAHGQLPVPEVLAADPDG---DPAYLATAPAPGRGLLDV-YEAASDDERERLLRRVGRVLAALHADRFASHGEIVGAGTERGSVAEGAATAGPDAQTGLAIEFAPWTDVLLATVERTREIGTSERLADHYDAVVDCVRANRDLLDDAPAALLHGDVTKPNLFVTAE-GDGADATDGPGVAAIDWELSHVGDPARDLVRAEDQLLNGFDS---------TG-PERFAAALREGYRERAGGLPAGFERRRPVYEVVRMLGRSGFVDQWVPYLDEPLDALVDRADAELRARLDAV 3DXP Chain:A ((20-315)) --RFDTEALEAWMRQHVEGFAGPLSVEQF--KG-QSNPTFKLVTP-GQTYVMRAKPG----AIEREYRVMDALAGT-DVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIGLGDYGK--P--------------GNYFQRQIERWTKQYKLS---------ETESIPAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEP--------RVLAVLDWELSTLGHPMGDFGYHCMSWHIAPGQFRGIAGLDHAALGIPDEASYRKLYEQRTGRPIT---GDWNFYLAFSMFRI---------------------------------

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 : 1150 638 0.55 2.37 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 0.55 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.189

(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: