Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYFGTDGIRGKFGQMPITPEFALKLGFAAGKVLKRTSPKNKPLVVLGKDTRLSGYILESALQAGLNAAGVYVHLLGPLPTPAIAHLTRALHAHAGIVISASHNPYFDNGIKFFSSEGKKLPDSLQEEINKELEK-D--LFIEDTANLGKSVRVTDANGRYIEFCKSTFPYHFDLNNLKIVVDCAHGAAYSVGPSVFRELGAKVVALYNEPDGLNINENCGSTHPESLQKAVVEHGADLGIAFDGDADRVVMVDKFGNLIDGDHILYILATQA-KNK---PAGVVGTVMSNMALEVALEKANVGFVRAKVGDRYVLQALEENGWVTGGEPSGHILTLDKSTTGDAIIAALQVLTVMVEQNKALHELVHDFKLYPQVLVNVRLEQMLDPYS-IPALVAEFNKAEEQLKGRGRILIRKSGTEPVIRVMVEGDNEQEVKTLAEHLANAVRSQAQVA 3PDK Chain:A ((24-467)) -KYFGTDGVRGVANKE-LTPELAFKIGRFGGYVLTKD--TDRPKVIIGRDTRISGHMLEGALVAGLLSTGAEVMRLGVISTPGVAYLTKALDAQAGVMISASHNPVQDNGIKFFGSDGFKLTDEQEAEIEALLDKEVDELPRPTGTNLGQVSDYFEGGQKYLQYIKQTVEE--DFSGLHIALDCAHGATSSLAPYLFADLEADISTMGTSPNGMNINDGVGSTHPEVLAELVKEKGADIGLAFDGDGDRLIAVDEKGNIVDGDQIMFICAKYMKETGQLKHNTVVSTVMSNLGFYKALEANGITSDKTAVGDRYVMEEMKRGGYNLGGEQSGHIILLDYITTGDGMLSALQLVNIMKMTKKPLSELAGEMTKFPQLLVNVRVTDK-KLALENEKIKEIIRVVEEEMNGDGRILVRPSGTEPLIRVMAEAPTQEVCDAYVHRIVEVVKAEVG--

General information: TITO was launched using: RESULT: Template: 3PDK.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 : 2698 -84150 -31.19 -193.00 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -31.19 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.622

(partial model without unconserved sides chains): PDB file : Tito_3PDK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PDK-query.scw PDB file : Tito_Scwrl_3PDK.pdb: