Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLSIESLCKSYRHHEAVKNVSFHVNENECVALLGPNGAGKTTTLQMLAGLLSPTSGTIKLLGEKKLD---RRLIGYLPQYPA--FYSWMTANEFLTFAGRLSGLSKRKCQEKIGEMLEFVGLHEAAHK-RIGGY-SGGMKQRLGLAQALLHKPKFLILDEPVSALDPTGRFEVLDMMRELKK--HMAVLFSTHVLHDAEQV---CDQVVIMKNGEISWKGELQELKQQQQTNVFTLSVKEKLEGWLEEKPYVSAIVYKNPSQAVFELPDIHAGRSLLSDCIRKGLTVTRFEQKTESLEDVYLKVVHA 4ZIR Chain:A ((22-236)) --------------KALENVSLVINEGECLLVAGNTGSGKSTLLQIVAGLIEPTSGDVLYDGE--KGYEIRRNIGIAFQYPEDQFFAERVFDE-VAFAVK-NFYPDRDPVPLVKKAMEFVGLDFDSFKDRVPFFLSGGEKRRVAIASVIVHEPDILILDEPLVGLDREGKTDLLRIVEKWKTLGKTVILIS----HDIETVINHVDRVVVLEKGKKVFDGTRMEFLEKYDPRFFT------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZIR.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 : 978 -19481 -19.92 -96.92 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -19.92 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_4ZIR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZIR-query.scw PDB file : Tito_Scwrl_4ZIR.pdb: