Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQYQPPHINRKLNVQAWWLTALLISINVGLFIWQIISGVDISDPAIKDALHWGADFTPLTFSGQPERLFTSMFFHFGIIHLLLNMWALYIFGNVAEALFGRLYFIGLYLLAGLFGSLLSSYINIQNGHELLQHFDQSLLPHVSAGASGAVMGLGAALTVLSLFPPLPHQAYILDKKALLMIMAINLI---FGFVATGINNAAHVGGMIMGALLALIWYLSYRTPFKSLLKFLGLVGGLFMTVGFYVYCNQLNSPLLPLWHEVLIQNPEILP 4NJN Chain:A ((127-272)) --------------------------------------------------------FDP-TLKFEFWRYFTHALMHFSLMHILFNLLWWWYLGGAVEKRLGS----GKLIVITLISALLSGYVQ--------QKFSGPWF----GGLSGVVYALMGYVWLRGERDP---QSGIYLQRGLIIFALIWIVAGWFDLFGMSMANGAHIAGLAVGLAMAFVDSLNA--------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NJN.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 : 607 -94632 -155.90 -661.76 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -155.90 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_4NJN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NJN-query.scw PDB file : Tito_Scwrl_4NJN.pdb: