Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGVILAGGNGSRLMPLTKAVNKHLLPVGPYPMIYWSIMKLQEAGIKDILLISQKEHMPQFYKLLGNGEELGVTITYQVQPAASGISDGLSYAKRFTKKESFILLLGDNIF-EDSLKPYTERFEQQGKGAKVLLKEVDDPERFGIAEIDEKNKRIRSIIEKPEQPPTNLCVTGIYMYDAEVFSYIEQISPSKRGELEITDVNNLYIENSQLTYDVLS-GW-WVDAGTHESLYLASQLVHQALRKGQDEK 3PKQ Chain:B ((5-240)) -KGIILAGGSGTRLYPVTMAVSKQLLPIYDKPMIYYPLSTLMLAGIRDILIISTPQDTPRFQQLLGDGSQWGLNLQYKVDPSPDGLAQAFIIGEEFIGHDDCALVLGDNIFYGHDLPKLMEAAVNKESGATVFAYHVNDPERYGVVEFDQKGTAV-SLEEKP--PK--YAVTGLYFYDNSVVEMAKNLKPSARGELEITDINRIYMEQGRLSVAMMGRGYAWLDTGTHQSLIEASNFI-----------

General information: TITO was launched using: RESULT: Template: 3PKQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1246 -79406 -63.73 -346.75 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -63.73 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.556

(partial model without unconserved sides chains): PDB file : Tito_3PKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PKQ-query.scw PDB file : Tito_Scwrl_3PKQ.pdb: