Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKFAVFASGNGSNFEAIVTRLKEENWDASAALLVCDKPQAKVIERAEAFHIPSFAFEPKSYENKAAFEQAIIEQLRLHEVELIALAGYMRLIGDTLLQAYGGKIINIHPSLLPAFPGIDAVGQAFRAGVKVAGITVHYVDEGMDTGPIIAQKAIEIDEHDTLETIEQRIHKLEHKWYPSVIKQLLGLNNRGEKA 4S1N Chain:A ((5-182)) -KKIAVFASGNGSNFQVIAEEFPVE-------FVFSDHRDAYVLERAKQLGVLSYAFELKEFESKADYEAALVELLEEHQIDLVCLAGYMKIVGPTLLSAYEGRIVNIHPAYLPEFPGAHGIEDAWNAGVGQSGVTIHWVDSGVDTGQVIKQVRVPRLADDTIDRFEARIHEAEYRLYPEVVKALF---------

General information: TITO was launched using: RESULT: Template: 4S1N.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 : 877 -136819 -156.01 -768.65 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.84 3D Compatibility (PKB) : -156.01 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.621

(partial model without unconserved sides chains): PDB file : Tito_4S1N.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S1N-query.scw PDB file : Tito_Scwrl_4S1N.pdb: