Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----------------------------------MAFDKQKLDVTNDVTGRFQNGRLSLYHDNEMIGQMTSMNE---------YELKSGYSFE-NEKFYKTADVVSGDDAKYVDCDYENGWC------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ 4QA5 Chain:A ((14-377)) LVPVYIYSPEYVSMCDSLAKIPKRASMVHSLIEAYALHKQMRIVKPKVA---SMEEMATFHTDAYLQHLQKVSQEGDDDHPDSIEYGLGYDCPATEGIFDYAAAIGGATITAAQC-LIDGMCKVAINWSGGWHHAKKDEASGFCYLNDAVLGILRLRRKFERILYVDLDLHHGDGVEDTFSFTSKVMTVSLHKFSPGFFPGTGDVSDVGLGKGRYYSVNVPIQDGIQDEKYYQICESVLKEVYQAFNPKAVVLQLGADTIAGDPMCSFNMTPVGIGKCLKYILQWQLATLILGGGGFNLANTARCWTYLTGVILGKTLSSEIPDHEFFTAYGPDYVLEITPSCRPDRNEPHRIQQILNYIKGNLKHVV

General information: TITO was launched using: RESULT: Template: 4QA5.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 : 137 3585 26.16 48.44 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : 26.16 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.210

(partial model without unconserved sides chains): PDB file : Tito_4QA5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QA5-query.scw PDB file : Tito_Scwrl_4QA5.pdb: