Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MINLGIIGTNWITH-QFVQAALSTKKYELTAVYSRHLEKAQEFGSHYEGDIEFATDLKTFFNITHMDTIYIASPNSLHFSQAKQAILAGKNVIVEKPAFSTPKEMDEIIHLANEHNVYFFEAARNIHESGFKKIADYLP--LKDEIIGANFSYMKYSSRYDQVLDGEEPNIFSTHFSGGALMDLGVYLVYAAVAWFGM-PKEVHYFPRKI-STGVDGLGWGILRYENFDVSIQPGKIGDSYLPSEIYFDSGTLVMNGVNAI-----EQAQFHDRAHKEIIDLAVTAAENPMADEAEDFANVMAHPKDPAWGLLYEEWIELARNVNQVIYDLRKNGGIKFDADNEEDF 4HAD Chain:C ((23-350)) MLRFGIISTAKIGRDNVVPAIQDAENCVVTAIASRDLTRAREMADRFSV-PHAFGSYEEMLASDVIDAVYIPLPTSQHIEWSIKAADAGKHVVCEKPLALKAGDIDAVIAARDRNKVVVTEAYMITYSPVWQKVRSLIDEGAIGSLRHVQGAFTYFNRD-------A------------GLPDIGVYPVMSTRFSTGKEPLRIQANTERDPDFGTDIYSSVKADFDDFELSFYVSTQMANRQIMVFHGTNGYIEVKSPFNANRWGPEEIELADRSHN-ESRIFRFQDSRQYRREVEAFARAVENGK------EEVVTLENSKLNQKVIDAIYRASEKDGWEAV----

General information: TITO was launched using: RESULT: Template: 4HAD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1753 -15025 -8.57 -49.10 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain C : 0.69 3D Compatibility (PKB) : -8.57 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_4HAD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HAD-query.scw PDB file : Tito_Scwrl_4HAD.pdb: