Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSITLLQPDDWHAHLRDGLA-------------------------------LKR-TVPDLAKQFARAICMPNLVPPVKTVEEALAYRERILAHVPEGNNFDPRMVLYFTDHT---SPDEVRKIKESEHVNAIKLYPAGATTNSNNGVSDIRKVYAVIEQLEEHQVPLLLHGEVTHNHVDIFDREKRFLDEVLSPLLKQFPKLKVVLEHITTSDA---AHFVLEQDRNVAATITPQHLLFNRNDMLVGGIKPYFYCLPILKRQTHQTTLLEVA-TSGNPKFFLGTDSAPHAQNAKENACGCAGCYSAPNAIELYAQAFDQVGKLERLEGFASHFGADFYGLPRNTSTITLVKEDNLVPESFDYLDNQKIIPLHAGKTLQWRKV 3IRS Chain:A ((3-282)) ------LKIIDFRLRPPAMGFLNARIYTRPDIRNRFTRQLGFEPAPSAEEKSLELMFEEMAAAGIEQGVCVGRNSSVL--GSVSNADVAAVAKAY--PDKFHPVGS--IEAATRKEAMAQMQEILDLG-IRIVNLEPGVWAT---PMHVDDRRLYPLYAFCEDNGIPVIMMTGGNAG---PD-I-TYTNPEHIDRVLGDFPDLTVVSSHGNWPWVQEIIHVAFRR-PNLYLSPDMYLYN-----------------LPG------HADFIQAANSFLADRMLFGTAYP-MCPLK--------------EYTEWFLTL---PIKPDAMEKILHGNAERLLAQAG----------------------------------------

General information: TITO was launched using: RESULT: Template: 3IRS.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 : 1336 -3316 -2.48 -13.76 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -2.48 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_3IRS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IRS-query.scw PDB file : Tito_Scwrl_3IRS.pdb: