Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLLIASLIAISSSSIFAADTTASAAKNDVFKQAEQLYAAKNYPAAFQEVQRLAQTGNAQAIYNLGYMTQMGQ--GTAKDNAKALKYYEDASNKGYAQASYTLAQIYETGELGVAKDSNKFSQYIQKAAAQGSDDATVKIATILF-AQKKPQSHQIALQKLAPLIRKGNYPAI-QVKALYD-ISQGVENKNPLMKRQGIEALQTIAQKGYAPASMALATMMANGNIIPQNLPQAKQIFTELAKQNVPNARESLASVEKIIAEKNKQAAAAPTQPAPKK 5JKP Chain:A ((37-237)) -----------------------------------------RPWGRIVEIYSKAVERGHWKAMHNLANLYRTGWPGGVEKDPQKALDLYQKMIDLDVPQGFYDMGAMIGNR-AGVKNPATDGLTFLDKAASLGNPPALTELGKLYIYVAK---EKELGLAYASCASSQGYAPASYELGSYYELVE--------NNYPKALSYYQVSVSQGGRSAAFFLSRVFGK-R----TPPSSAMWYTPDEKLE--KFYYSLYLQIDAD------------------

General information: TITO was launched using: RESULT: Template: 5JKP.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 : 890 16979 19.08 86.63 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 19.08 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.408

(partial model without unconserved sides chains): PDB file : Tito_5JKP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5JKP-query.scw PDB file : Tito_Scwrl_5JKP.pdb: