Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNDTRQALEKDVRDNLLLLYDFDKDYDVKLLKYSENVIFKITFKEAFPVVLRIHRPGYHNIEELEGEILWMDEIHRDTDVELPVVYRGRDGRFLQKMTTFSGEEVYVSVISFLEGS-PLGELKD-DELIKGLESLGEITAKLHMQSINRDKSVVIKRFYWDINNLFGDNNDGIWGSWRDY--KALTKEQYRILEKCTSVMKDKLNYYGRSNEKFGLIHADLHFYNVINNNGVNQIIDFDDSGYGFYMYDMGCALVTYSRNLTKLEGAWVRGYEKVKKLSDEDKKFIPMFVLLRRITRLAWLATHSDSDTAKTVDDEYLDVTIDMAKEWLKANTKVAVITGAAGGIGYGIAKKFLESCK 3DXQ Chain:B ((24-288)) ----------------------------ERLGGLTNLVFRA----G-DLCLRIP--------NRANEAVAAREAAKA-GVS-PEVLHVD-------------PATGVMVTRYIAGAQTMSPEKFKTR-PGSPARAGEAFRKLHGSGAVFPFRF----ELFA--M-I-----DDYLKVLSTKNVTLP-AGYHDVVREAGGVRSAL---AAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEG-KFNANQDEELMRAYFGGEA-RPAERGRVVIYKAMCDLLWTLWGLIQLANDNPVDDFRAYADGRFARCKALMETP--------------------------

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 B - contact count / total energy / energy per contact / energy per residue : 1221 -10628 -8.70 -42.01 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.62 3D Compatibility (PKB) : -8.70 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.317

(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: