Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIDELTNDIDMYLGYSNLLDDKHKVIFLTESESNINFLIDVGLEKYIFRLSKNSQLGLKNQIKYEYDALKILEKSYVTPRTFFLDDSTTFFDYGVLIMQYIKGR-RLEYQ------RDFHEVAKTFGKIHSLNLDKIDVSNFIVRDDIIEDCLEKSRINLKNFFKSPKIDADVKIKINDFLEWGEKNKKCKKFFEKDKWQVINNTEPHLDNFIISDRNRKAYLLDWEKPVIADPSIELSYFLSPITTMWTGDYAFSEDEKDDFFKTYIMYLDKRDRDIVERVKIYTPYICLKELSKLANRLWIYEHDTDINTDINEYKKLKEYINLEFMEYLTKNYNLY 3DXQ Chain:B ((5-259)) --------EARAKLAAIPMLAGYTGPLERLGGLTNLVFRA----GDLCLRIP---------NRANEAVAAREAAKAGVSPEVLHVDPA-----TGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFR------FE----LFAMIDDYLKVLSTKNVTLPAGYHDVVREAGGVRSALA-----AHPLPLAACHCDPLCENFLDTG--ERMWIVDWEYSGMNDPLWDLGDLSVE--------GKFNANQDEELMRAYFGGEAR--PAERGRVVIY---KAMCDLLWTLWGLI-------------------------------------

General information: TITO was launched using: RESULT: Template: 3DXQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1127 -40774 -36.18 -169.89 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -36.18 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.276

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: