Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIYNNITELIGQTPIVKLNNIVP-EGA-ADVYIKLEAFNPGSSVKDRIALSMIEKAEQDGILKLGSTI-VEATSGNTGIGLSWVGAAKGYKVVIVMPETMSVERRKIIQAYGAELVLTPGSEGMKGAIAKAQEIAAERDG-FLPLQFDNPANPEVHERTTGAEILAAFGKDGLDAFVAGVGTGGTISGVSHALKSENSNIQVFAVEADESAILSGEKPGPHKIQGISAGFIPDTLDTKAYDGIVRVTSDDALALGREIGGKEGFLVGISSAAAIYGAIEVAKKL-GTGKKVLALAPDNGERYLSTALYEL 4LMA Chain:A ((8-316)) MRIAHDVTELVGRTPLVQLNRIPQAEGCLGRIVMKLEGMNPAASVKDRIGTHMINSAEKAGLINPETTVLVEPTSGNTGIALAMTAAAKGYRLILTMPETMSLERRAMLKAYGATLELTPGSQGMKGAILRAQQIVDSIPGAYMLQQFRNPSNPEIHRLTTAEEIWQD-TEGQVDFIVAGVGTGGTITGVAEVIKSRKPSFQVVAVEPFNSPVISGGNPGPHKIQGIGAGFIPEVLRTDLIDEVITVSDEEAFQFGRRLAKEEGLLSGISSGANLCAAIQLAQRPENEGKLIVVIQPSFGERYLSTLMFQ-

General information: TITO was launched using: RESULT: Template: 4LMA.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 : 1874 42246 22.54 138.97 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.89 3D Compatibility (PKB) : 22.54 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.544

(partial model without unconserved sides chains): PDB file : Tito_4LMA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4LMA-query.scw PDB file : Tito_Scwrl_4LMA.pdb: