Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGTEKVTALKAKHQSKSSTGLSWFERIGYGFGDMSYNIIFQFVNAYLLFYYTD-----VGGIQPAVIATLFLVVRVLDAIFDPIMGLILDKTNTRWGKARPYLLWVAFPFALFTFLCFTTPHFGETGNMVYAYVTYILLGMSFSMQTIPVNSLTGRMTNSV-EERTVLTTTRMILVYIGILLSISCATPLATAIGGEDQAFGFQMTALIYAAVSIVLNLFSFFTVRERIQP--------KK-RKKQG------------------------------------------------I----KKTLSV-LFKNKPLLMLISSFLAFAIGFNIKLSTMVYYFTYNVNHKE-----FVFMGTVLFFGAALISNLFIPFFSEKWGRKQV-----MIITAALSLIS-YAGLHFT-----PYSSIPLIFIWLF-ASGFFTTPLNTLAWGMVADCVDYAEWKTGIRADGVVISSMSFINKLGVALAGSFSAIYLGIAGYVANTDQTVASLNAIKNMNALIPGFFILLSIILIAFYPLTEKRYKHIISELEQRSAR 4IKV Chain:A ((24-461)) -------------------------GLFTLFFTEFWERFSYYGMRAILVYYMYYEVSKGGLGLDEHLALAIMSIYGALVYMSGIIGGWLADRV---FGTSRAVF-YGGLLIMAGHIALAIPGG------VAALFVSMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGM-------KYNFHLGFGLAAVGMFLGLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIPNGWFTVETFISLVGILGIIIPIIYFVVMYRSPKTT-AEERSRVIAYIPLFVASAMFWAIQEQGSTILANYADKRTQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLGKRQPTIPQKFALGLLFAGLSFIVILVPGHLSGGGLVHPI-WLVLSYFIVVLGELCLSPVGLSATTKLAPA-------AFSAQTMSLWFLSNAAAQAINAQLVRFYTPE-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4IKV.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 : 1698 -281202 -165.61 -796.61 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -165.61 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.303

(partial model without unconserved sides chains): PDB file : Tito_4IKV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IKV-query.scw PDB file : Tito_Scwrl_4IKV.pdb: