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:D ((5-240)) -KGIILAGGSGTRLYPVTMAVSKQLLPIYDKPMIYYPLSTLMLAGIRDILIISTPQDTPRFQQLLGDGSQWGLNLQYKVDPSPDGLAQAFIIGEEFIGHDDCALVLGDNIFYGHDLPKLMEAAVNK-SGATVFAYHVNDPERYGVVEFD--GTAV-SLEEKP--PKSNYAVTGLYFYDNSVVEMAKNLKPS----LEITDINRIYMEQGRLSVAMMGRGYAWLDTGTHQSLIEASNFI-----------

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 D - contact count / total energy / energy per contact / energy per residue : 1244 -79404 -63.83 -354.48 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain D : 0.86 3D Compatibility (PKB) : -63.83 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.509

(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: