Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALLAEFYSKEGNMNTNLASFIVGLIIDENDRFYFVQKDGQTYALAKEEGQHTVGDTVKGFAYTDMKQKLRLTTLEVTATQDQFGWGRVTEVRKDLGVFVDTGLPDKEIVVSLDILPE----LKELWPKKGDQLYIRL-EVDK-KDRIWGLLAYQEDFQRLARPA-YNNMQNQNWPAIVYRLKLSGTFVYLPENNMLGFIHPSERYAEPRLGQVLDARVIGFREVDRTLNLSLKPRSFEMLENDAQMILTYLESNGGFMTLNDKSSPDDIKATFGISKGQFKKALGGLMKAGKIKQDQFGTELI 4NNG Chain:A ((290-413)) -----------------------------------------------------------------------------THAIGQIVAGKVTKLV-PFGAFVRVEE-GIEGLVHISELAERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANED-YTEEFDPAKYGMADSYDEQGNYIFPEGFDAETN-EWLEGFEKQRAE---------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4NNG.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 : 450 -3745 -8.32 -32.01 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -8.32 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.198

(partial model without unconserved sides chains): PDB file : Tito_4NNG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NNG-query.scw PDB file : Tito_Scwrl_4NNG.pdb: