Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSTKPLSILQPGTGLFNTHVTLEDVNKAIKEQMSTESELTAESKMEVIGEGNGFSSCVILITCHWTIPSSHLPKKLILKIVSFVHVQGLLNKSNEEGNSVMSPEEEAHVHAHFEKSCQKGHNLEVEFCEAFGHLEGLLLPKVFFSQKFEEDNPNKGFVGMEFVEGSV-VRHCYE--NVTVDELQPILKALARLQALSLSTESCRNLDN--GEAFE-ESLMDMLSEDGLKG-IFD-QSRNIDQKLSEKVERIEQNHKEILNLETVLNLNKVVGIDQKVICHGDLWAANILWTQTDGGFIADKVLDYQESHMGNPAEDLVRLLVSTISGAD-RQSHWEHILEQFYTYFTDEIGSNNAPYTLEQLKTSFKLYFPVGALTLISLFGPAVDMKLQGMESGKAENYRRIVIEKVDCLLDDVLNFHDFNKKFTGKN 2PUL Chain:A ((12-308)) -------------------LNESSAVALAVKL-GL------TLTCQEIGD--GNLNYVFHIY----------DRALIIKQAVPYAKV--E-----------------SWPLTID-----RARIESSALIRQGEHVPHLVPRVFYSDT------EMAVTVMEDLSHLKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWN-NDSVKI-EAAKLKKSFLT-SAETLIHGDLHTGSIFASE-----HETKVIDPEFAFYGPIGFDVGQFIANLFLNALSRDGADREPLYEHVNQVWETFE-----ETFSEAWQKDS--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2PUL.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 : 1285 -48898 -38.05 -176.53 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -38.05 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.259

(partial model without unconserved sides chains): PDB file : Tito_2PUL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2pul-query.scw PDB file : Tito_Scwrl_2PUL.pdb: