Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEATTLPQQFIKKYRLLLGEEASDFFSALEQGSVKKGFRWNPLKPAGLDMVQTYH--SEELQPAPYSNEGFL-G--TVNGKSFLHQAGYEYSQEPSAMIVGTAAAAKPGEKVLDLCAAPGGKSTQLAAQMKGKGLLVTNEIFPKRAKILSENIERWGVSNAIVTNHAPAELVPH-FSGFFDRIVVDAPCSGEGMFRKDPNAIKEWTEESPLYCQKRQQEILSSAIKMLKNKGQLIYSTCTFAPEENEEIISWLVENYP-VTIEEIPLTQSVSSGRSEWGSVAGLEKTIRIWPHKDQGEGHFVAKLTFHGQNQMHKEKKTRKKSKVQMTKEQEKLWTEFSNDFHYEATGRLLVFNDHLWEVPELAPSLDGLKVVRTGLHLGDFKKNRFEPSYALALATKKIENIPCLPITQKEWQSYTAGETFQRDGNQGWVLLVLDKIPVGFGKQVKGTVKNFFPKGLRFH 1SQF Chain:A ((140-429)) --DARYLHPSWLLKRLQKAYPEQWQSIVEANNQ-RPPMWLRINRTHHSRDSWLALLDEAGMKGFPHADYPDAVRLETPAPVHALPGFEDGWVTVQDASAQGCMTWLAPQNGEHILDLCAAPGGKTTHILEVAP-EAQVVAVDIDEQRLSRVYDNLKRLGMK-ATVKQGDGRYPSQWCGEQQFDRILLDAPCSATGVIRRHPDIKWLRRDRDIPELAQLQSEILDAIWPHLKTGGTLVYATCSVLPEENSLQIKAFLQRTADAELCETGTP---------------EQPGKQNLPGAEEGDGFFYAKLIKK---------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1SQF.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 : 1539 71580 46.51 252.93 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 46.51 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_1SQF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1SQF-query.scw PDB file : Tito_Scwrl_1SQF.pdb: