Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDFQPKDRPADAFQQPLTADQIELLCRRALGSG--VRSAVEIGWGGYNNTYRVELADGPAILRVAPEPARQNRIEHQFMRNEYLAAPYFAPIAPLMPRTLAADFTHQVIGRDYVLQAVLPGEPGPEV-LSARTPEERAPYFRQLGELARAVHDVRGPGFGTVAGPHFATWSEALIAYFEDNAADVEDLG-LDGADLRAVAAWAKRDAALLDEITEPRLLHGDLWHVNVMLTPS-LQIVGVFDHDRSWWGDPAADWTIRMASVK--T--------------G-SKRDWFWDTYGRPDESPSARRRALYYEARHLGAVRLERMRLKERQVEETYADLAEILAALESE 3DXP Chain:A ((20-298)) ---------------RFDTEALEAWMRQHVEGFAGPLSVEQFKG-QSNPTFKLVTPGQTYVMRAKPG----------AIEREYRVMDALAGTDVPVAKMYALCEDESVIGRAFYIMEFVSGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIGLGD---YGKPGNYFQRQIERWTKQYKLSETESIPAMDSLMDWLPQHIPQE-DADLTSIVHGDYRLDNLMFHPTEPRVLAVLDWELSTLGHPMGDFGYHCMSWHIAPGQFRGIAGLDHAALGIPDEASYRKLYEQRTGR-----------------------------------------------

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 : 1013 -29117 -28.74 -118.36 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -28.74 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.228

(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: