Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIKKWLGLAALATVAGLALAACGNSEKKADNATTIKIATVNRSGSEEKRWDKIQELVK-KDGITLEFTEFTDYSQPNKATADGEVDLNAFQHYNFLNNWNKENGKDLVAIGDTYISPIRLYSGLNGSANKYTKVEDIPANGEIAVPNDATNESRALYLLQSAGLIKLDVSGTALATVANIKENPKNLKITELDASQTARSL--SSVDAAVVNNTFVTEAKL-DYKKALFKEQADENSKQWYNIIVAKKDWETSPKADAIKKVIAAYHTDDVKKVIEESSDGLDQPVW 4YAH Chain:X ((29-255)) ----------------------------DPNH---IKVGVI--VGAEQQVAEVAQKVAKDKYGLDVELVTFNDYVLPNEALSKGDIDANAFQHKPYLDQQLKDRGYKLVAVGNTFVYPIAGYS------KKIKSLDELQDGSQVAVPNDPTNLGRSLLLLQKVGLIKLKDGVGLLPTVLDVVENPKNLKIVELEAPQLPRSLDDAQIALAVINTTYASQIGLTPAKDGIFVE---DKESPYVNLIVTRED---NKDAENVKKFVQAYQSDEV----------------

General information: TITO was launched using: RESULT: Template: 4YAH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain X - contact count / total energy / energy per contact / energy per residue : 1208 78402 64.90 351.58 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain X : 0.78 3D Compatibility (PKB) : 64.90 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.543

(partial model without unconserved sides chains): PDB file : Tito_4YAH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YAH-query.scw PDB file : Tito_Scwrl_4YAH.pdb: