Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYFGTDGIRGKFGQMPITPEFALKLGFAAGKVLKRTSPKNKPLVVLGKDTRLSGYILESALQAGLNAAGVYVHLLGPLPTPAIAHLTRALHAHAGIVISASHNPYFDNGIKFFSSEGKKLPDSLQEEINKELEKD---LFIEDTANLGKSVRVTDANGRYIEFCKSTFPYHFDLNNLKIVVDCAHGAAYSVGPSVFRELGAKVVALYNEPDGLNINENCGSTHPESLQKAVVEHGADLGIAFDGDADRVVMVDKFGNLIDGDHILYILATQAKN----KPAGVVGTVMSNMALEVALEKANVGFVRAKVGDRYVLQALEENGWVTGGEPSGHILTLDKSTTGDAIIAALQVLTVMVEQNKALHELVHDFKLYPQVLVNVRLEQ---MLDPYSIPALVAEFNKAEEQLKGRGRILIRKSGTEPVIRVMVEGDNEQEVKTLAEHLANAVRSQAQVA 3PDK Chain:A ((25-465)) --YFGTDGVRG-VANKELTPELAFKIGRFGGYVL--TKDTDRPKVIIGRDTRISGHMLEGALVAGLLSTGAEVMRLGVISTPGVAYLTKALDAQAGVMISASHNPVQDNGIKFFGSDGFKLTDEQEAEIEALLDKEVDELPRPTGTNLGQVSDYFEGGQKYLQYIKQTV--EEDFSGLHIALDCAHGATSSLAPYLFADLEADISTMGTSPNGMNINDGVGSTHPEVLAELVKEKGADIGLAFDGDGDRLIAVDEKGNIVDGDQIMFICAKYMKETGQLKHNTVVSTVMSNLGFYKALEANGITSDKTAVGDRYVMEEMKRGGYNLGGEQSGHIILLDYITTGDGMLSALQLVNIMKMTKKPLSELAGEMTKFPQLLVNVRVTDKKLALENEKIKEII---RVVEEEMNGDGRILVRPSGTEPLIRVMAEAPTQEVCDAYVHRIVEVVKAE----

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 : 2658 -88727 -33.38 -205.86 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.83 3D Compatibility (PKB) : -33.38 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.596

(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: