Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MGKSKMTNSNYKLTKEDFNQINK----RRLFTFQLGWNYERMQASGYLYMILPQLR-KMYGDGTPELKEMMKVHT-----------QFFNTSPFFHTIIAGFDLAMEEKDGVG-----SKDAVNGIKT--GLMGPFAPLGD--------------TIFGSLVP-----------------AIMGSVAATMAIAGQP-------WGIFL-WIAVAVAYDIFRWKQL----EFAYKEGVNLINNMQSTLTALIDAASVLGVFMMGALVATVINFEISYKLPIGEKMIDF-QDILNQIFPRLLP-AIFTAFIFWLLGKKGMNSTKAIGIIIVLALALSALGHFALGM----------------------------------------------- 2PGS Chain:A ((2-436)) SLDWQTLLNRERLPFHKDHDRIIFSGAFRRLGRKTQVHPHTRLTHSLEVSCVGRSLGMRVGETLRAALPDWCDPSDLGMVVQSACLAHDIGNPPFGHSGEDAIRNWFNQAAGRGWLDAMSETERNDFLNFEGNAQGFRVLTQLEYHQFDGGTRLTYATLGTYLKYPWTARKHKFGCYQSELPILEQIAGKLGLPQLEEQRWARHPLVYLMEAADDICYALIDLEDGLEMDLLDYAEVESLLLGLVGRRKLAILRGKAIEHLTNAAARAFVEQQDALLAGTLPGDLVEHMHGPAKRCVLNAKDMARKKIFQDKRKTLHEIGAYTTLEILLNAFCGAAVEQFGGRTPSFKHRRILDLLGNSAPDPKAPLHASFLRMIDFIAGMTDSYASEMARE

General information: TITO was launched using: RESULT: Template: 2PGS.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 : 1347 9627 7.15 34.88 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 7.15 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.273

(partial model without unconserved sides chains): PDB file : Tito_2PGS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PGS-query.scw PDB file : Tito_Scwrl_2PGS.pdb: