Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPEGKIIKALSGFYYVLDESEDSDKVIQCRGRGIFRKNKITPLVGDYVVYQAENDKEGYLMEIKERTNELIRP--PIC-NVDQAVLVFSAVQPSFSTALLDRFLVLVEANDIQPIICITKMDLIEDQDTEDTIQAYAEDYRNIGYDVYLTSSKDQDSLADIIPHFQDKTTVFAGQSGVGKSSLLNAISPELGLRTNEISEHLGRGKHTTRHVELIHTSGGLVADTPGFSSLEFTDIEEEELGYTFPDIREKSSSCKFRGCLHLKEPKCAVKQAVEDGELKQYRYDHYVEFMTEIKDRKPRY 4A2I Chain:V ((74-337)) ----------------------------------IRRTIRSLVTGDRVVWRPGKVKG--IVEAVHETSVLTRPVKPIAANIDQIVIV-SAILPELSLNIIDRYLVGCETLQVEPLIVLNKIDLLDDEGM-DFVNEQMDIYRNIGYRVLMVSSHTQDGLKPLEEALTGRISIFAGQSGVGKSSLLNAL---LGLQNEILTNTAARLYHFPH--------GGDVIDSPGVREFGLWHLEPEQITQGFVEFHDYLGHCKYRDCKHDADPGCAIREAVENGAIAETRFENY--------------

General information: TITO was launched using: RESULT: Template: 4A2I.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain V - contact count / total energy / energy per contact / energy per residue : 1016 -144795 -142.51 -616.15 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain V : 0.75 3D Compatibility (PKB) : -142.51 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.419

(partial model without unconserved sides chains): PDB file : Tito_4A2I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A2I-query.scw PDB file : Tito_Scwrl_4A2I.pdb: