Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNLNLNINQNDVELIPENHPESQEPVVGAEILIEQLYKFYGEVKVLEDLNLHIQPGEFLAIVGRSGCGKSTLLRLIAQLEKASFGEIKFKSARHLREGITNDDIRVMFQDPRLLPWRNILQNVQLGLPKSQHALAEELLEKVG-------LKEKAGQWPSQLSGGQRQRTALARALSHTPRILLLDEPLGALDALTRLEMQSLIERLWKEQGFTAILVTHDVSEAVQLADRIILLDKGQIAQSFQVNLPRPRKKSITFAQLEQQVLDAVLAT 3PUX Chain:A ((2-214)) -----------------------------ASVQLQNVTKAWGEVVVSKDINLDIHEGEFVVFVGPSGCGKSTLLRMIAGLETITSGDLFIGEKRMNDTPPAERGVGMVFQSYALYPHLSVAENMSFGL-KLAGAKKEVINQRVNQVAEVLQLAHLLDRKPKALSGGQRQRVAIGRTLVAEPSVFLLDEPLSNLDAALRVQMRIEISRLHKRLGRTMIYVTHDQVEAMTLADKIVVLDAGRVAQ------------------------------

General information: TITO was launched using: RESULT: Template: 3PUX.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 : 1009 -71938 -71.30 -349.21 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -71.30 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.441

(partial model without unconserved sides chains): PDB file : Tito_3PUX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUX-query.scw PDB file : Tito_Scwrl_3PUX.pdb: