Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDVIKDLSELRLSYEQGELYETQVASNPHEQFLGWFNHALAANLHEPYAMSLATASASGRPHVRTVLLRGATEAGYDFYTNYDSQKGIDLAENPYAELLFYWPSLERQVRVGGHVVKIPEQESTDYYHKRPRDSQIAAYISTPQSGKIESRELLQQRFQDLQQQVQSHEVLDKPEFWGGYRLQPDYYEFWQGRPNRLHDRLSYEKIDGQWTLHRLMP 1DNL Chain:A ((1-199)) -----------------GGLRRRDLPADPLTLFERWLSQACEAKLADPTAMVVATVDEHGQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHTLERQVMVIGKAERLSTLEVMKYFHSRPRDSQIGAWVSK-QSSRISARGILESKFLELKQKFQQGEV-PLPSFWGGFRVSLEQIEFWQGGEHRLHDRFLYQRENDAWKIDRLAP

General information: TITO was launched using: RESULT: Template: 1DNL.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 : 840 -83965 -99.96 -421.93 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -99.96 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.472

(partial model without unconserved sides chains): PDB file : Tito_1DNL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DNL-query.scw PDB file : Tito_Scwrl_1DNL.pdb: