Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPIQHILDTYPLIVLDGAMATELER-------KGCNLNDSLWSAK-----ILMEEPELIKQVHTDYFAAGADCAITASYQSTFEGFAARGLSEAEARRLIELSVSIAAEARDEFWSLEENRLNRPKPIIAASIGPYGAYLA-DGSEYRGNY-AISEDELIEFHRPRMKALIEAGADVLACETIPCLTEAKAIVRLLKE-FPETYA----WISFSAKD--GLHISDGTPAADCASWLDEHRQIAALGINCT-PLQHIPSLIEELKKNTSKPIIVYPNSGEQYDPETKTWNGAACAESYGASARTWHEKG-ARLIGGCCRTKPENIQEIAAWARSLKTT 4CCZ Chain:A ((17-329)) ------------IMVLDGGMGTMIQREKLEEHFRGQEFKDHARPLKGNNDILSITQPDVIYQIHKEYLLA--DIIETNTFSSTSIAQADYGL-EHLAYRMNMCSAGVARKAAEEV-TLQTG----IKRFVAGALGPTNKTLSVSPSVERPDYRNITFDELVEAYQEQAKGLLDGGVDILLIETIFDTANAKAALFALQNLFEEKYAPRPIFISGTIVDKSGRTLSGQTGEGFVISV--SHGEPLCIGLNCALGAAEMRPFIEIIGKCTTAYVLCYPNAG-------------------------FAMDGLVNIVGGCCGSTPDHIREIAEAVKNCK--

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 : 1504 -166381 -110.63 -625.49 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -110.63 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.494

(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: