Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVLNRRQALQRALLNGKNKQDAYHPFPWYESMRKDAPVSFDEE---NQVWSVFLYDDVKKVVGDKELFSSCMPQ-QTSSIGNSIINMDPPKHTKIRSVVNKAFTPRVMKQWEPRIQEITDELIQKFQGRSEFDLVHDFSYPLPVIVISELLGVPSAHMEQFKAWSDLLVSTPKDKSEEAEKAFLEERDKCEEELAAFFAGIIEEKRNKPEQDIISILVEAEETGEKLSGEELIPFCTLLLVAGNETTTNLISNAMYSILETPGVYEELRSHPELMPQAVEEALRFRAPAPVLRRIAKRDTEIGGHLIKEGDMVLAFVASANRDEAKFDRPHMFDIRRHPNPHIAFGHGIHFCLGAPLARLEANIALTSLISAFPHMEC-VS---ITPIENSVIYGLKSFRVKM 4E2P Chain:A ((28-416)) -----------------------WGIHPEHFWLYGRRPRQMVEFDEKMNAWNVYGYAEAIEVLGDPGTFSSHMSRLL--FTEGDLLQTDPPDHRELRKLVSHAFTPKVVAELEPRITALTQELLDAVADRDTFDLMTALAYPLPVTVVAELLSIPSADRHLFEGWMTEIVHS----------------MAPMRKMLEYLREHAAECRRRPRGDLMGKLIEAEVDGRRLTDNHIVNFAKMLLIAGYLTTTMLIGNTVLCLDSYPEQAARVRADRSLIPGLLEESMRFLSPVAATYRATTRDVEVAGQRLSADQMVMVWFGAANRDARQFAEPELFDMTRGPNPHLGFGRGIHFCLGGPLARMEGRVALDHLLDRF-PELYTDPERPPTFMPGFDTTGVSSLPLRT

General information: TITO was launched using: RESULT: Template: 4E2P.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 : 1771 -231541 -130.74 -654.07 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -130.74 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.568

(partial model without unconserved sides chains): PDB file : Tito_4E2P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E2P-query.scw PDB file : Tito_Scwrl_4E2P.pdb: