Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKGVILAGGNGSRLMPLTKAVNKHLLPVGPYPMIYWSIMKLQEAGIKDILLISQKEHMPQFYKLLGNGEELGVTITYQVQPAASGISDGLSYAKRFTKKESFILLLGDNIF-EDSLKPYTERFEQQGKGAKVLLKEVDDPERFGIAEIDEKNKRIRSIIEKPEQPPTNLCVTGIYMYDAEVFSYIEQISPSKRGELEITDVNNLYIENSQLTYDVLS-GW-WVDAGTHESLYLASQLVHQALRKGQDEK 3PKP Chain:A ((5-240)) -KGIILAGGSGTRLYPVTMAVSKQLLPIYDKPMIYYPLSTLMLAGIRDILIISTPQDTPRFQQLLGDGSQWGLNLQYKVSPSPDGLAQAFIIGEEFIGHDDCALVLGDNIFYGHDLPKLMEAAVNKESGATVFAYHVNDPERYGVVEFDQKGTAV-SLEEKPLQPKSNYAVTGLYFYDNSVVEMAKNLKPSARGELEITDINRIYMEQGRLSVAMMGRGYAWLDTGTHQSLIEASNFI-----------

General information: TITO was launched using: RESULT: Template: 3PKP.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 : 1262 -78694 -62.36 -337.74 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -62.36 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.535

(partial model without unconserved sides chains): PDB file : Tito_3PKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PKP-query.scw PDB file : Tito_Scwrl_3PKP.pdb: