Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPALVLDPECRSDQQIASDFLTYLQSE-SSDRVAYELEPMRLRGGCDARLYRYKLIDEEPKVLRVLRPEREVEELMHHQLVHRTLNQQGLKTPLIHRVCGDKTVLGGVFAVMDLLPGQIVFALD--------PERHGKVLGESMAAMHGLDVRPIVESLRRAGVPDERFLSPVFQHKVLGFF-E---QTTPWSADLMAWLRDHLPLD-GETLAVIHGDYHGGNVMVDNG--SISGVLDWGF-CIADPAVDLAHTMNVYRVLVRQ-----VDPAMSSQVCEQIIDGVLKTYQSIRPLN-HERIKACRVFHLLSLLAAGVAGVGPEFVRKPESQRDYLSFIEQTTGIRLSPSA 3DXP Chain:A ((20-324)) -------------RFDTEALEAWMRQHVEG-FAGP-LSVEQFKG-QSNPTFKLVTPG-QTYVMRAKPG-----AIEREYRVMDALAGTDVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIG--LGDYG-KPGNYF-QRQIERWTKQYKLSETESIPAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEPRVLAVLDWELSTLGHPMGDFGYHCMSWHIAPGQFRGIAGLDHAALG-IPD-EASYRKLYEQRTGRPITGDWNFYLAFSMFRIAGILQGIMK-----------------------------

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 : 1167 -40982 -35.12 -151.22 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -35.12 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.335

(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: