Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDYSKFQTTTDRSDMFYWQGDRPFDPIETKEIFLDRHETYDENVAKAAVSYGMQQAGKSETDA-EVVHIDPSIVVGSVNIVCRAVLKDETAVIIRMHPQKIHNGYFWSESVASQIAKDNGVPTYTTYFVDDSQSKFDFDYMIMECVPGKNIRKD-MWPLSKELDKKIAQETGYWAAKINSIATSGYGFFDNAKAKKEKKLAGVHTKWEEHLFAANEKNIGYLEDKQVITNEERKTIDAIFDTKKSYINCENPKLIQNDIADWNELASDD-GTITGVLDWDECFSGDPIMEIAAWSLFF------------------GGERLENFFIGYRKVIEAEGGFEEKYHIYRLRYVLSKLAMRKKKTEFTYYDTQFQRSLVNVGLEALREELTWQSTHH 3DXP Chain:A ((20-313)) --------------------------------------RFDTEALEAWMRQHV---E----GFAGPLSVE-QFKG-QSNPTFKLVTPG-QTYVMRAKPG-----AIEREYRVMDALAGTDVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIGLGD-------------YGKPGNYFQRQIERWTKQYKLSETESIPAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEPRVLAVLDWELSTLGHPMGDFGYHCMSWHIAPGQFRGIAGLDHAALGIPDEASYRKLYEQRTGRPIT--GDWNFYLAFSMF------------------------------------------

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 : 1115 -15902 -14.26 -60.69 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -14.26 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.248

(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: