Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAERVRVRVRKKKKSKRRKILKRIMLLFALALLVVVGLGGYKLYKTINAADESYDALSRGNKSNLRNEVVDMKKKPFSILFMGIEDYATKGQKGRSDSLIVVTLDPKNKTMKMLSIPRDTRVQLAGDTTGSKTKINAAYSKGGKDETVETVENFLQIPIDKYVTVDFDGFKDVINEVGGIDVDVPFDFDEKSDVDESKRIYFKKGEMHLNGEEALAYARMRKQDKRGDFGRNDRQKQILNALIDRMSSASNIAKIDKIAEKASENVETNIRITEGLAL--QQIYSGFTSKKIDTLSITGS---DL--YLGPN-NTYYFEPDATNLEKVRKTLQEHLDYTPDTSTGTSGTEDGTDSSSSSGSTGSTGTTTDGTTNGSSYSNDSSTSSNNSTTNSTTDSSY 2XXP Chain:A ((126-383)) ------------------------------------------------------------------------KNQSFNIYVSGIDTYGPISSVSRSDVNILMTVNRDTKKILLTTTPRDAYVPIADGGNNQKDKLTHA-GIYGVDSSIHTLENLYGVDINYYVRLNFTSFLKMIDLLGGVDVHNDQEFSALHG-----KFHFPVGNVHLDSEQALGFVRERYSLADGDRDRGRNQQKVIVAILQKLTSTEALKNYSTIINSLQDSIQTNVPLETMINLVNAQLESG-GNYKVNSQDLKGTGRMDLPSYAMPDSNLYVMEIDDSSLAVVKAAIQDVME--------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2XXP.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 : 1222 -48633 -39.80 -194.53 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -39.80 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_2XXP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2XXP-query.scw PDB file : Tito_Scwrl_2XXP.pdb: