Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSITLLQPDDWHAHLRDGL----------------------A-LKR-TVPDLAKQFARAICMPNLVPPV---------KTVEEALAYRERILAHVPEGNNFDPRMVLYFTDHT---SPDEVRKIKE-SEHVNAIKLYPAGATTNSN-NGVSDIRKVYAVIEQLEEHQVPLLLHGEVTHNHVDIF-------D--------RE--KRFLDEVLSPLLKQFPKLKVVLEHITTSDA--AHF-------------------VLE--QDRNVAATITPQHLLFNRNDMLVGGIKPYFYCLPILKRQTHQTTLLEVATSGNPKFFLGTDSAPHAQNAKENACGCAGCYSAPNAIELYAQAFDQVGKLERLEGFASHFGADFYGLPRNTSTITLVKEDNLVPESFDYLDNQKIIPLHAGKTLQWRKV 4QRO Chain:F ((1-324)) -----MNGKIALEEHFATEETLMDSAGFVPDKDWPELRSRLLDIQDRRVRLMDEHGIETMILSLNAPAVQAIADSTRANETARRANDFLAEQVAKQ--PTRFRGFAA--LPMQDPELAARELERCVKELG-FVGALVNGFSQDNRSAVPLYYDMAQYWPFWETVQALDVPFYLHPRNPLP-SDARIYDGHAWLLGPTWAFGQETAVHALRLMGSGLFDKYPALKIILGHMGEGLPYSMWRIDHRNAWIKTTPKYPAKRKIVDYFN-ENFYLTTSGNFR-------------------T-----QTLIDAILE--IGADRILFSTDW-PFENIDH--------------AADWFE---NTSISEADRKKIGWGNAQNLFKL------------------------------------------

General information: TITO was launched using: RESULT: Template: 4QRO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1135 85 0.07 0.35 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain F : 0.61 3D Compatibility (PKB) : 0.07 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_4QRO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QRO-query.scw PDB file : Tito_Scwrl_4QRO.pdb: