Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLACGSDDLRTEEGLRIAALYGWDPEDTACQLLQRGENGTFLVR-TSGTRYILRRYRRERYREQEILAELAWMCALR-DHINVPNVIANTEGDLATRLVGPDGERLYAVFEFIEGESPESSSSEDYRRLGELMKALHRGADAIAQSMNEDWAGW-NRPVYDVQ--RAVREPLRHLLQF------EAL----SEV---NKTRCVSVARELERR----F-RTLQPGRPFVHADLHFGNIVVREP-NWYCLDFDECGYGHRAFDLGVVRLHLRNR--SDNFDCWAHFEHGYGDMPSRGDLATGTAARIFYMAGKIPMRQDIDSLRHNPDARIGKYLTWIEDELM 2Q83 Chain:A ((21-305)) -----------ELAENVLQGWDVQ--AEKIDVIQ---ALVWKVHTD-SGAVCLKRIHRPE---KKALFSIFAQDYLAKKGMNVPGILPNKKGSLYSKH----GSFLFVVYDWIEGRPFELTVKQDLEFIMKGLADFHTASVGYQ--PPNGVPIFTKLGRWPNHYTKRCKQ-METWKLMAEAEKEDPFSQLYLQEIDGFIEDGLRIKDRLLQSTYVPWTEQLKKSPNLCHQDYGTGNTLLGENEQIWVIDLDTVSFDLPIRDLRKMIIPLLDTTGVWDDETFNVMLNAYESRAPLTEEQK-QVMFIDMLF--------------------------------

General information: TITO was launched using: RESULT: Template: 2Q83.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 : 981 -5777 -5.89 -22.65 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -5.89 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_2Q83.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2q83-query.scw PDB file : Tito_Scwrl_2Q83.pdb: