Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPIQHILDTYPLIVLDGAMATELERKGCNL-----------NDSLWSAKI--LMEEPELIKQVHTDYFAAGADCAITASYQSTFEGFAARGLSEAEARRLIELSVSIAAEARDEFWSLEENRLNRPKPIIAASIGPYGAYLAD-GSEYRGNYA-ISEDELIEFHRPRMKALIEAGADVLACETIPCLTEAKAIVRLLKE-----FPETYAWISFSA-KDGLHISDGTPAADCASWLDEHRQIAALGINCTP-LQHIPSLIEELKKNTSKPIIVYPNSGEQYDPETKTWNGAACAESYGASARTWHEKG-ARLIGGCCRTKPENIQEIAAWARSLKTT 4CCZ Chain:A ((12-330)) -------ILQKRIMVLDGGMGTMIQREKL-EEHFRGQEFKDHARPLKGNNDILSITQPDVIYQIHKEYLLA--DIIETNTFSSTSIAQADYGLE-HLAYRMNMCSAGVARKAAEEVTL-----QTGIKRFVAGALGPTNKTLSVSPSVERPDYRNITFDELVEAYQEQAKGLLDGGVDILLIETIFDTANAKAALFALQNLFEEKYAPRPIFISGTIVDKSGRTLSGQTGEGFVISVS-HGEPLCIGLNCALGAAEMRPFIEIIGKCTTAYVLCYPNAG-------------------------FAMDGLVNIVGGCCGSTPDHIREIAEAVKNCKP-

General information: TITO was launched using: RESULT: Template: 4CCZ.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 : 1600 -182783 -114.24 -672.00 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -114.24 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.514

(partial model without unconserved sides chains): PDB file : Tito_4CCZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CCZ-query.scw PDB file : Tito_Scwrl_4CCZ.pdb: