Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLIDELTNDIDMYLGYSNLLDDKHKVIFLTESESNINFLIDVGLEKYIFRLSKNSQLGLKNQIKYEYDALKILEKSYVTPRTFFLDDSTTFFDYGVLIMQYIKGR-RLEYQ------RDFHEVAKTFGKIHSLNLDKIDVSNFIVRDDIIEDCLEKSRINLKNFFKSPKIDADVKIKINDFLEWGEKNKKCKKFFEKDKWQVINNTEPHLDNFIISDRNRKAYLLDWEKPVIADPSIELSYFLSPITTMWTGDYAFSEDEKDDFFKTYIMYLDKRDRDIVERVKIYTPYICLKELSKLANRLWIYEHDTDINTDINEYKKLKEYINLEFMEYLTKNYNLY 3DXQ Chain:A ((5-259)) --------EARAKLAAIPMLAGYTGPLERLGGLTNLVFRA----GDLCLRIPGK-----YINRANEAVAAREAAKAGVSPEVLHVDPA-----TGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFR------FE----LFAMIDDYLKVLS--NVTLPAGYHDVVREAGGVRSALA-----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 A - contact count / total energy / energy per contact / energy per residue : 1128 -35448 -31.43 -146.48 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -31.43 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.318

(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: