Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNINGKKVTIYDIARLSGFSPKTVSRVINGGVNVKEETYQAIQKVIEELSYIPNAYAKNL--TKKEAINILISVKKIDSFPLIWFHTLLDKVLRTCKEFGVNAIVEYFGEEDTISNSIISSTGS-LVDGVIVFYESVDDIRIQYLKK-NHMPFLV--FGESQTSGVVYVSNNNFQATYDMMKAVTEEKFKNMWLLMGG-ESHVNKDRERGVRSFLNDKNYFM-DLKVIYGLSTIDSVYSYAMQHLTTQNYPDIIFVSGDEKVQGLIRACYEKGILIPDDISIIGFDNIPISQYYTPALSTIAPNYVKLAKEMIEGVLAII--KGESVTSVEVSPKFVRRQSF 1BDI Chain:A ((2-329)) ---------TIKDVAKRANVSTTTVSHVINKTRFVAEETRNAVWAAIKELHYSPSAVARSLKVNHTKSIGLLAT-----SSEAAYFAEIIEAVEKNCFQKGYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERGHREIGVIPGPLERNTGAGRLAGFMKAMEEAMIKVPESWIVQGDFEPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVPQDVSLIGYDNVRNARYFTPALTTIHQPKDSLGETAFNMLLDRIVNKREEPQSIEVHPRLIERRS-

General information: TITO was launched using: RESULT: Template: 1BDI.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 : 1670 -17633 -10.56 -55.45 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -10.56 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.511

(partial model without unconserved sides chains): PDB file : Tito_1BDI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BDI-query.scw PDB file : Tito_Scwrl_1BDI.pdb: