Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQHQSLFNKSQWTQLVKHFSAVAVLGLTIAAPAWAIDPTAKELRIGFQKSSINFAIAKQQKLFEQEFPNAKITWNEFPAGPQILEALAVGSLDVGVTGDTPPVYAQAAGKPLYYIAYEAAKPLASAILVPKNSQLKQLKDIKGKRIALQKGSSSHYLLVQAVRKAGLKWSDITPIWLTPADARAAFQKGAVDAWAIWDPYYASAQLEDQARVLVSGKGLSPNYTFYLAAPNFVKQYPKAVPGLIKQINQADKWVQSYQVETASAIGQSTGLKPATSDLFIKRRPRPSSAAPLNSKVIAEQQQIADIFTQQGIIPKPISIKQAVWGAK 2X26 Chain:A ((5-285)) ------------------------------------------LRIGYQKGSIGMVLAKSHQLLEKRYPESKISWVEFPAGPQMLEALNVGSIDLGSTGDIPPIFAQAAGADLVYVGVEPPKPKAEVILVAENSPIKTVADLKGHKVAFQKGSSSHNLLLRALRQAGLKFTDIQPTYLTPADARAAFQQGNVDAWAIWDPYYSAALLQGGVRVLKDGTDLNQTGSFYLAARPYAEKNGAFIQGVLATFSEADALTRSQREQSIALLAKTMGLPAPVIASYLDHRP-PTTIKPVNAEVAALQQQTADLFYENRLVPKKVDIRQRIW---

General information: TITO was launched using: RESULT: Template: 2X26.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 : 1528 -159662 -104.49 -568.19 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -104.49 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_2X26.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2X26-query.scw PDB file : Tito_Scwrl_2X26.pdb: