Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTKKLSFKDYLFIGSMLFGLFFGAGNLIFPVHLGQEAGAATFWANLGFLVTGIGLPFLGVIAIGVSKSSGVYELAKRINQTYAMVFTILLYLVIGPFFALPRLAT---------TSFEIGLAPFIDPSRQTLYLAIFSIVFFVLAWWFSRKPTKILDYVGKFLNPAFLVLLGALLLLAFLNPLG-----------SVNQAPIQPNYQEHAFFTGFTQGYNTLDALAALAFGIIIVTTIQNMGVTKPAEIAKDTIKSG----AISIILMGIIYTLLAYLGAMSLGSFALSENG----------GITLAQIADHYLGTYGSILLAFIV-ILACLKTGIGLITAFAETFTDLFPQRNYAFFVALASILPCLAANVGLTNI---------------IQFSLP----VLMFIYPLAMTLILLVLVGPLFKQRTAVYRMTTYFTLIASIFDGLNACPETIKQTPIVQNLLYVAESYLPFFKLGMGWIVPAVIGFVIGLIWSFAKKEEVAD------ 2AJT Chain:A ((1-498)) MTIFDNYEVWFVIGSQ--HLYGPETLRQVTQHAEHVVNALNTEAKLPCKLVLKPL---------GTTPDEITAICRDANYDDPCAGLVVWLHTFSPAKMWINGLTMLNKPLLQFHTQFNAALPWDSIDMDFMNLNQTAHGGREFGFIGARMRQQHAVVTGHWQDKQAHERIGSWMRQAVSKQDTRHLKVCRFGDNMREVAVTDGDKVAAQIKFGFSVNTWAVGDLVQVVNSISDGDVNALVDEYESCYTMTPATQIHGEKRQNVLEAARIELGMKRFLEQGGFHAFTTTFEDLHGLKQLPGLAVQRLMQQGYGFAGEGDWKTAALLRIMKVMSTGLQGGTSFMEDYTYHFEKGNDLVLGSHMLEVCPSIAVEEKPILDVQHLGIGGKDDPARLIFNTQTGPAIVASLIDLGDRYRLLVNCIDTVKTPHSLPKLPVANALWKAQPD-LPTASEAWILAGGAHHTVFSHALNLNDMRQFAEMHDIEITVIDNDTRLPAFKDALRWNEVYYGF

General information: TITO was launched using: RESULT: Template: 2AJT.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 : 2315 -205100 -88.60 -468.26 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -88.60 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.234

(partial model without unconserved sides chains): PDB file : Tito_2AJT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AJT-query.scw PDB file : Tito_Scwrl_2AJT.pdb: