Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKILFAVSECTPFVKSGGLADVAGALPKALARLGNEVAVMLPKYSQIPEPWKKRMKKQAECTVAVGWRQQYCGIEHMAENDVNYYFIDNEYYFNRDSLYGHYDDG--ERFAFFSRA-VLEAAKVVNVQA--DIVHTHDWHTAMVNYLLKEEYRKHPFYERMKSVLTIHNLQFQGIFPPDVTHDLLGLEMDHFHYERLECNGFVNFMKAGIIAADHVTTVSPTYRNEIMTPYYGEQLEQVLQYREDDVTGILNGIDDTFYQPKSDPYIEAQYDSGDLACKLENKTKLQQRMGLPEKNDIPLISMVTRLTKQKGLDLVRR---IMHELLEEQDIQLVVLGTGEREFEDYFRYAEFAFHEKCRAYIG-FDEPLAHQIYAGSDMFLMPSKFEPCGLGQLIALQYGAIPIVRETGGLYDTVRAYQEEEGTGNGFTFSAFNAHDLKFTIERALSFYCQQDVWK---SIVKTAMNADYSWGKSAKEYQRIFEQVTRSGRDVLE 2BIS Chain:A ((4-428)) MKVLLLGFEFLP-VKVGGLAEALTAISEALASLGHEVLVFTPSHG--------RFQGEEIGKIRVFGEEVQVKVSYEERGNLRIYRIGGGL-LDSEDVYGPGWDGLIRKAVTFGRASVLLLNDLLREEPLPDVVHFHDWHTVFAGALIKK-------YFKIPAVFTIHRLN-KSKLPAFYFHEAGLSELAPYPDIDPEHTG-------GYIA-DIVTTVSRGY----LIDEWG-----FFRNFEGKITYVFNGIDCSFW---NESYLTGSRD--------ERKKSLLSKFGMDEGVTFMFIGRFDR--GQKGVDVLLKAIEILSSKKEFQEMRFIIIGKGDPELEGWARSLE-EKHGNVKVITEMLSREFVRELYGSVDFVIIPSYFEPFGLVALEAMCLGAIPIASAVGGLRDIIT-------NETGILVKAGDPGELANAILKALEL-SRSDLSKFRENCKKRAMS--FSWEKSAERYVKAY------------

General information: TITO was launched using: RESULT: Template: 2BIS.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 : 2354 -70893 -30.12 -171.65 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -30.12 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.442

(partial model without unconserved sides chains): PDB file : Tito_2BIS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BIS-query.scw PDB file : Tito_Scwrl_2BIS.pdb: