Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKKWLGLAALATVAGLALAACGNSEKKADNATTIKIATVNRSGSEEKRWDKIQELVKKDGITLEFTEFTDYSQPNKATADGEVDLNAFQHYNFLNNWNKENGKDLVAIGDTYISPIRLYSGLNGSANKYTKVEDIPA-NGEIAVPNDATNESRALYLLQSAGLIKLDVSGTA-LATVANIKENPKNLKITELDASQTARSLSSVDAAVVNNTFVTEAKLDYKKALFKEQADENSKQWYNIIVAKKDWETSPKADAIKKVIAAYHTDDVKKVIEESSDGLDQPVW 3IR1 Chain:D ((2-236)) ----------------------------------EIVFGTTVG-DFGDMVKEQIQPELEKKGYTVKLVEFTDYVRPNLALAEGELDINVFQHKPYLDDFKKEHNLDITEVFQVPTAPLGLYPG------KLKSLEEV-KDGSTVSAPNDPSNFARVLVMLDELGWIKLKDGINPLTASKADIAENLKNIKIVELEAAQLPRSRADVDFAVVNGNYAISSGMKLTEALFQEPS---F-AYVNWSAVKTAD-KDS--QWLKDVTEAYNSDAFKAYAHKRFEGYKSP--

General information: TITO was launched using: RESULT: Template: 3IR1.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1275 36290 28.46 155.75 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain D : 0.76 3D Compatibility (PKB) : 28.46 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.449

(partial model without unconserved sides chains): PDB file : Tito_3IR1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IR1-query.scw PDB file : Tito_Scwrl_3IR1.pdb: