Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKRIALLPGDGIGPEVLESATDVLKSVAERFNHEFEFEYGLIGGAAIDEHHNPLPEETVAACKN-ADAILLGAVGGPKWD----QNPSELRPEKGLLSIRKQLDLFANLRPVKVFESLSDASPLKKEYIDNVDFVIVRELTGGLYFGQ-------PSKRYVN-----TEGEQEAVDTLFYKRTEIERVIREGFKMAAARKGKVTSVDKANVLE-SSRLWREV---AEDVAQEFPDVKLEHMLVDNAAMQLIYAPNQFDVVVTENMFGDILSDEASMLTGSLGMLPSASLSSSGLHLFEPVHGSAPDIAGKGMANPFAAILSAAMLLRTSFGLEEEAKAVEDAVNKVLASGK-RTRDLARSEEFSSTQAITEEVKAAIMSENTISNV 3TY4 Chain:A ((13-364)) ----LGLIPADGIGKEVVPAARRLMENLPAKHKLKFDFIDLDAGWGTFERTGKALPERTVERLKTECNAALFGAVQSPTHKVAGYSSP--------IVALRKKMGLYANVRPVKSLDG-AKGKP--------VDLVIVRENTECLYVKEERMVQNTPGKRVAEAIRRISEEASTKIGKMAFEIAKSRQKIRESGTYSIHKKPLVTIIHKSNVMSVTDGLFRESCRHAQSLDPSYASINVDEQIVDSMVYRLFREPECFDVVVAPNLYGDILSDGAASLIGSLGLVPSANVGDNFV-MSEPVHGSAPDIAGRGIANPVATFRSVALMLEF-MGHQDAAADIYTAVDKVLTEGKVLTPDLGGK---SGTNEITDAVLANI---------

General information: TITO was launched using: RESULT: Template: 3TY4.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 : 1784 -5128 -2.87 -15.54 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -2.87 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3TY4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3TY4-query.scw PDB file : Tito_Scwrl_3TY4.pdb: