Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVIVLGSGVIGVASAYYLARQGA-EVTVLDRQSGPAEETSFGNAGQISPGYSTPWAAPGIPFKAVKWMFQHHAPLAINLDGSMWQLQWMAQMLKNCNPQSYAVNKERMMRVAEYSRDCLRELRKDTGIHYENRAKGTLQLFRKEAQMEAVQRDISVLEECGVSYELLNGNELGRVEPALANAQDKLVGGLHLPNDETGDCYLFTNALAQIAKELGVNFQFNQNVEKLIVEGDQIKGVQVNGKVLTADRYVLAFGSYSRDFLKPLDLQLPVYPVKGYSLTIP-IVAPAF-APQS-TVLDETYKIAITRFDQRIRVGGMAELS---------------GFNL---GLNEDRHATLQMVTQDLFP-GGDMEQASFWTGLRPMTPDSTPIIGATR-FKNLFLNTGHGTLGWTMACGSGKLISDIVLNHKTDISTDGLSIQRYSHAHAA 4PAB Chain:B ((45-430)) AETVIIGGGCVGVSLAYHLAKAGMRDVVLLEKSE-LTAGSTWHAAGLTTYFHPGI----------------------------------------------------NLKKIHYDSIKLYERLEEETGQVVGFHQPGSIRLATTPERVDEFKYQMTRTNWHATEQYIIEPEKIHELFPLLNM--DKILAGLYNPGDGHIDPYSLTMALATGARKYGVLLKYPAPVTSLKPRPDGTWDVETPQGSVRANRIVNAAGFWAREVGKMIGLDHPLIPVQHQYVVTSTIPEVKALKRELPVLRDLEGSYYLRQERDGLLFGPYESQEKMKLQASWVAHGVPPGFGKELFESDLDRITEHVEAAMEMVPVLKKADIINIVNGPITYSPDILPMVGPHQGVRNYWVAIGF-GYGIIHAGGVGKYLSDWILHGEPPFDLIELDPNRYGKW---

General information: TITO was launched using: RESULT: Template: 4PAB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2150 7419 3.45 20.49 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain B : 0.68 3D Compatibility (PKB) : 3.45 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.446

(partial model without unconserved sides chains): PDB file : Tito_4PAB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PAB-query.scw PDB file : Tito_Scwrl_4PAB.pdb: