Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKAKLGKSDLQVFPIGLGTNAVGGHNLYPNLNEETGKELVREAIRNGVTMLDTAYIYGIGRSEELIGEVLREFNREDVVIATKAAHRKQGNDFVFDNSPDFLKKSVDESLKRLNTDYIDLFYIHFPDEHTPKDEAVNALNEMKKAGKIRSIGVSNFSLEQLKEANKDGLVDVLQGEYNLLNREAEKTFFPYTKEHNISFIPYFPLVSGLLAGKYTEDTTFPEGDLRNEQEHFKGERFKENIRKVNKLAPIAEKHNVDIP--HIVLAWYLARPEIDILIPGAKRADQLIDNIKTADVT-LSQEDISFIDKLFA 1YNQ Chain:A ((21-306)) MKKRQLGTSDLHVSELGFGCMSLG-------TDETKARRIMDEVLELGINYLDTADLYNQGLNEQFVGKALKG-RRQDIILATKV--------WWWDPSKAYIKEAVKDSLRRLQTDYIDLYQLHGGTIDDPIDETIEAFEELKQEGVIRYYGISSIRPNVIKEYLKRSNIVSIMMQYSILDRRPEE-WFPLIQEHGVSVVVRGPVARGLLSRR-----PLPEG------EGYLNYRYDE-------LKLLRESLPTDRPLHELALQYCLAHDVVATVAAGASSIDQVKANVQAVEATPLTAEERQHIQKL--

General information: TITO was launched using: RESULT: Template: 1YNQ.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 : 1423 -134262 -94.35 -491.80 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -94.35 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.578

(partial model without unconserved sides chains): PDB file : Tito_1YNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YNQ-query.scw PDB file : Tito_Scwrl_1YNQ.pdb: