Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIQDMILTLQKHWSSQGCVLMQAYDVEKGAGTMSPYTFLR----------SIG---PE----P-WKVAYVEPSRRP-ADG-RYGENPNRLYQHH---------------------QFQVIIKPSPDNIQELY---L------------DS---LRALGIDPLEHDIRFV-EDNWENP-SLGCAGLGWEVWLD-----------------GMEITQFTYFQ--Q-V-GG-LECKPVSVEITYGIERLASYIQDKENVFDLEWTSGFTVKDLFMMAEYEHSVYTFETSDVDMLFQLFSTYEKEAIKQMDNGLVHPAYDYVLKCSHTFNLLDAKGAISVTERTGYIARVRNLARKVAKTYYEEREKLGFPMLKGEGSSHE 4XEM Chain:A ((25-280)) LTASEIRQRFIDFFKRNEHTYVHSSATIPLD---DPTLLFANAGMNQFKPIFLNTIDPSHPMAKLSRAANTQKCIRAG-DLDDVGKD---VYHHTFFEMLGSWSFGDYFKELACKMALELLTQEFGIPIERLYVTYFGGDEAAGLEADLECKQIWQNLGL-DDTKILPGNMKDNFWEMGDTGPCGPCSEIHYDRIGGRDAAHLVNQDDPNVLEIWNLVFIQYNREADGILKPLPKKSIDTGMGLERLVSVLQNKMSNYDT----------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4XEM.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 : 578 -2138 -3.70 -12.65 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -3.70 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.378

(partial model without unconserved sides chains): PDB file : Tito_4XEM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XEM-query.scw PDB file : Tito_Scwrl_4XEM.pdb: