Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMFNNIFQILESFGFLSQHRSVYLQFSDASLNSQVFLQRIDGQHYLNQGMTAELICLSTNAHIPLKTFIGVQVAVDQVTDRGSFFCTTGIITGASQGQSDGALTLYKLAISDPTYLWHKRRNSRVFMNKSVKEISEILFQEWQGKSPLFASSLTLDLSGLKQTYDVRPFVMQLNESDYEFLTRLWRSEGISWLIDEAELTVASNMDNIQPQKLRLIDDNNQYQALTRRAIRYHRSSATEQFDSMTSLMADRSLQPTSIFVQRWQPDVLQQTDGAGSVQSKHQHSTNYDNQSLSLEEAWHFSPAWMQDLNGEDGATSASNQQLEKFNQNLSAYYDAQSKQFIAKTTVRDTQVGYWFELNEHPEIDQHESTDKEFLIIGKNYYNQNNLPKDLNQQIQTLLQQSDWQASNTDERQANQLILQRRHI--PTTPAY--NPQTHSPVAHPQRAKVVGPEGEE--IYVDEWGRIKVRFLFTRSDDHSHDGGAGTNNNDTDSAWIDVLTPWAGEGYGARFLPRIGEIVVINFFNGDIDRPFVMGRVHEAQRHPTKFDNKGKLPDTKKLSGIRSKEVSGSGFGQLRFDDTPGQISTQLQSSHGASQLNLGKLSHPKDKAESEDRGEGFELRTDQWGALRAGQGLLVSTHKQDNAKGDHLDAEVAKKQLEGSQTNSKALSDIAKNQKTDEIESLEQLKDFASQIQQQIAKFEKALLLLSSPDGIALSSSEDIHISADAQINQIAGDSINISTQKNVIAHAQNRLSLFAAQSGLKAVAAQGKVEIQAQADALDVLSKLGITISSTDDKVIISSPKEVKITGGSSQITLNGSGIFPKTGGKFQVNAGQHLFMGGASANASAPELPKAKPMQGALELLRSYGGDNFFKQNSYKVIDSLGKQITGKLDGNGFAQITGIAPGPAKVVFEKDNTSAWLQSSDFKRNYTWAEPVKSVQGLMKNALEAVGQNTMSQLQNNLLSTDKNSFKNLGKNTLDNLAGQTVAQIKNQVTNTALNTVSKQLNLNLSADQMKSLGQMATNPSQSLEMLKEQGGDFLSDQMTAKLFKTTNQESPIQQGDLDTFVRTKK 2P5Z Chain:X ((25-468)) ---------------------------------PVDVLTFEGREQLSTPFRYDIQFTSSDKAIAPESVLMQDGAFSLTA---ALRTLHGVITGFKHLSSSQDEARYEVRLEPRMALLTRSRQNAIYQNQTVPQIVEKILRERHQMRGQ---DFVFN---LKSEYPAREQVMQYGEDDLTFVSRLLSEVGIWFRFATDAR--------LKIEVIEFYDDQSGYER--GLTLPLR-------TEAVWGLNTAYSV-------------------------------------------------------------------SGAFYARIRHERYLNEQAILKGQSTSSLLMPGLEIKVQGDDAPA---VFRKGVLITGVTTS------AAR------------------DRSYELTFTAIPYSERYGYRPALIPRPVMAGT----LPARVTS----DIYAHIDKDGRYRVNLDF-RDTW----------KPGYESLWVR---------------LLAGTEVSIAFEEGNPDRPYIAGVK-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2P5Z.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1756 -80106 -45.62 -232.19 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain X : 0.60 3D Compatibility (PKB) : -45.62 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.290

(partial model without unconserved sides chains): PDB file : Tito_2P5Z.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2P5Z-query.scw PDB file : Tito_Scwrl_2P5Z.pdb: