Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIGIVGATGYGGTELVRILSHHPHAEECILYS--S-SGEGNVYSEGYPHLTGLADQQLKPID--M-NTI-KHEIDIMFLAAPPGVSSELTPKLADAGITVIDLSGDLRIKEPAEYEKWYKRTAA-PKAVIQEAVYGLAELNQLQIQQAKLIANPGCFPTAVLLGLAPLAQK-KLLDESF-VIVDAKTGVSGAGRKASMGTHFSELNDNFKIYKV-NEHQHTPEIEQALNEWQPGLGPITFSAHLVPMTRGIMATMYTRLTCDLTADDLHDLYSEFYQDSYFVRVRPKGQYPQTKEVYGSNFCDIAVTLDERTNRVTIVSVIDNLMKGAAGQAVQNFNLMNGWNEETGLTITPIYP 3DR3 Chain:A ((5-336)) LNTLIVGASGYAGAELVTYVNRHPHMNITALTVSAQSNDAGKLISDLHPQLKGIV---ELPLQPMSDISEFSPGVDVVFLATAHEVSHDLAPQFLEAGCVVFDLSGAFRVNDATFYEKYYGFTHQYP-ELLEQAAYGLAEWCGNKLKEANLIAVPGCYPTAAQLALKPLIDADLL-DLNQWPVINATSGVSGAGRKAAISNSFCE--VSLQPYGVFT-HRHQPEIATHLG-----A-DVIFTPHLGNFPRGILETITCRLKSGVTQAQVAQALQQAYAHKPLVRLYDK-GVPALKNVVGLPFCDIGFAVQ--GEHLIIVATEDNLLKGAAAQAVQCANIRFGYAETQSL-------

General information: TITO was launched using: RESULT: Template: 3DR3.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 : 1923 -223672 -116.31 -696.80 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -116.31 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_3DR3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3DR3-query.scw PDB file : Tito_Scwrl_3DR3.pdb: