Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MSAENLS------QMGAANVQRLVDQY--GQQVIEKCPVSPVEYAFYERAAEELNSRGIKTPTLLSADPHPRRLRLEYIPGKVSQDEVSGDDILKCLSHLHHTPP----------------DPTWVYHPHSWPEKALEKSLALLRLPDRAAHQM----RCFQQAGSVL--FRQKCLISGDTNAGNWGRRENGEW---------VLFDWER-----------------FGTGSPA----------------IDLAPLVKGMGSRQ---SILQLAERYSVHCPHMPARQLATEITLAKAW-------------IVSEVMSLLYDRNK----TDFELYL------------------------------NWYRETLPGWLDEAISVL 3J9Q Chain:A ((2-386)) SFFHGVTVTNVDIGARTIALPASSVIGLCDVFTPGAQASAK-PNVPVLLTSKKDAAAAF---GIGSSIYLACEAIYNRAQAVIVAVGVETAETPEAQASAVIGGISAAGERTGLQALLDGKSRFNAQPRLLVAPGHSAQQAVATAMDGLAEKLRAIAILDGPNSTDEAAVAYAKNFGSKRLFMVDPGVQVWDSATNAARNAPASAYAAGLFAWTDAEYGFWSSPSNKEIKGVTGTSRPVEFLDGDETCRANLLNNANIATIIRDDGYRLWGNRTLSSDSKWAFVTRVRTMDLVMDAILAGHKWAVDRGITKTYVKDVTEGLRAFMRDLKNQGAVINFEVYADPDLNSASQLAQGKVYWNIRFTDVPPAENPNFRVEVTDQWLTEVLDVA

General information: TITO was launched using: RESULT: Template: 3J9Q.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 : 1443 12887 8.93 49.95 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 8.93 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.144

(partial model without unconserved sides chains): PDB file : Tito_3J9Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3j9q-query.scw PDB file : Tito_Scwrl_3J9Q.pdb: