Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLSPLQLAAIVSAGVPGIYPVGAEPVREDSDDFDSAIIADSTGRRWRVRAPRRPDASMRLEAEHLILQSFSPGLRARLPFAVPTVAGTVPYAGGNVFVYTHIPGTIYDVDQLAELSRREVAARRPS-LASIIAKDIATLHVMPEDIIYEADLPSYSSEQIRLRKNAELERAAATGKVPADLLAHWRAVLSPGPMWQFRPRVVHGDMGAENLVLHVTPTEARIVEVTGWSEVHVGDPAQDFAWLYSCQDIDFTDEAIEVYRQQMPQLPDAYLAQRANFYAEFAIAQWLTHTVEVGDRDGATHAVSMLLDIQDDLRASGELLGQEEVGPLVGPAE 5IGR Chain:A ((20-233)) -----------------GLKLHGPLTVNELGLDYRIVIATVDDGRRWVLRIPRRAEVSAKVEPEARVLAM----LKNRLPFAVPDWR----VANAELVAYPMLEDSTAMVIQPGSSTPDWVVPQDSEVFAESFATALAALHAVPISAAVDAGMLIRTPTQARQKVADDVDRVRREFVVNDKRLHRWQRWLDDDSSWPDFSVVVHGDLYVGHVLIDNTE---RVSGMIDWSEARVDDPAIDMA--------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IGR.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 : 863 -58985 -68.35 -276.92 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -68.35 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.297

(partial model without unconserved sides chains): PDB file : Tito_5IGR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igr-query.scw PDB file : Tito_Scwrl_5IGR.pdb: