Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKRKIGLAMSLVIAAGTILGACGNSEKSSGSGEGKNKFSVAMVTDVGGVDDKSFNQSAWEGIQAFGKENGLKKGKNG-YDYLQS-KSDADYTTNLNKLARENFDLIYGVGYLMEDSISEIADQRKNTNFAIIDAVVDK-DNVASITFKEQEGSFLVGVAAALSSKSGKIGFVGGME-SELIKKFEVGFRAGVQAVNPKAVVEVKYAGGFDKADVGKATAESMYK--SGVDVIYHSAGATGTGVFTEAKNLKKEDPKRDVWVIGVDKDQYAEGQVEGTDDNVTLTSMVKKVDTVVEDVTKKASDGKFPGGETLTYGLDQDGVGISPSKQNLSDDVIKAVDKWKKKIIDGLEIPATEKELKTFKAE 1QPZ Chain:A ((56-306)) -----------------------------------NHTKSIGLLA-TSS--EAAYFAEIIEAVEKNCFQK------GYTLILGNAWNNLEKQRAYLSMMAQKRVDGLLVMCSEYPEPLLAMLEEYRHIPMVVMDWGEAKADFTDAVIDNAFEGGYMAGRYLIERG-HREIGVIPGPLERNTGAGRLAGFMKAMEEAMIKVPESWIVQGDF-EPESGYRAMQQILSQPHRPTAVFCGGDIMAMGALCAADEMGLRVP-QDVSLIGYDNVRNAR------YFTPALTTIHQPKDSLGETAFNMLLD-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1QPZ.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 : 1328 12352 9.30 50.42 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 9.30 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_1QPZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QPZ-query.scw PDB file : Tito_Scwrl_1QPZ.pdb: