Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------------------------------------------------------------MERHYYTYLIKEEFANHYFGRESVMFELFQDYHWTSLEKQQYEM-TEKQIQYITQPIPILHMHQRLKMNLNKTDYRQLDYIYRIALPKAKGHATFMMKEHMIEIVASGDYEAETIFFEVLRKVSPCFLAMDFNSKRYGWLNPVKERNFV---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4R4X Chain:A ((1-546)) AQTYEITYQNSFEGKINQNHIISITNSDKTLLFNEKIKNKKADFPFEVNEINRKNNEVSQFAFLNNNEIVKTSDNTILAKQEFKPTSETGKILGYNVKKAVTSVNSNTIEVWYTNDLKVKGGPSILGQDLGLVLKTVRNGSSVVEATSVKKIKALDD--------QSLFNGKNITEKDALTYKDMIWKSRF---ITIPVFE-----NETINFSDASKSD-----QVIQRFGNGTIILKKVKIPEIKQGN----TIFVELKQKSNGD------AYDRTGDVFIIPQERAISYYTGLTQGVKSLPVYQNGNGKSYQGVALTPDYLPFIELMRFFTPFGIGHFNEKIQLKGKNWHNNTPYRQDITELRPQLSGKEILIGAFIGNYDKGGHQISLELSIHPDQQKIVNNNFVLPVFNTTNVMEMAGQDYPTMFNSDKGVEVDFILTKDLKNAQLRYITTGHGGWGAGDEFVPKENSIYLDGKLAHAFTPWRTDCGSYRLFNPASGNFEDGLSSSDLSRSNWCPGTITNPVYINLGNLNAGKHTIQVKIPQGAPEGSSQSFWNVSGVLLGQEHHHHHHHH

General information: TITO was launched using: RESULT: Template: 4R4X.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 : 367 21823 59.46 186.52 target 2D structure prediction score : 0.22 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 59.46 2D Compatibility (Sec. Struct. Predict.) : 0.22 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.174

(partial model without unconserved sides chains): PDB file : Tito_4R4X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R4X-query.scw PDB file : Tito_Scwrl_4R4X.pdb: