Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKVRKAVIPAAGLGTRFLPATKAQPKEMLPIVDKPAIQYIVEEAAESGIEDILIITGRNKRSIEDHFDRSAELEFNLREKGKTETLKEMQQIADLANIHYIRQKEPLGLGHAVLCAEHFIGDEPFAVLLGDDIMVSETPALRQLMD--VYDVYGTEVVGVQSVLPEDVSKYGIINTSGSQGHVYEVNDLVEKPSPEEAPSEIAVMGRYVLNSSIFSVLKTIGRGAGNEIQLTDALREVCRKEPIHARLLEGNRYDIGDKLGCFKASTEIGLMRPEMRSQLLAYLEDVIKRETKEMLR 1H5S Chain:D ((2-205)) ---KMRKGIILAGGSGTRLYPVTMAVSKQLLPIYDKPMIYYPLSTLMLAGIRDILII------STPQDTPRFQQLLGDGSQWG--------------LNLQYKVQPSPDGLAQAFIIGEEFIGADDCALVLGDNIFYGHD--LPKLMEAAVNKESGATVFAYHVNDPE---RYGVVEFDKNGTAI----SLEEKPL--EPKSNYAVTGLYFYDNDVVQMAKNLKPSARGELEITDINR-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1H5S.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 : 995 -64569 -64.89 -319.65 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain D : 0.73 3D Compatibility (PKB) : -64.89 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.402

(partial model without unconserved sides chains): PDB file : Tito_1H5S.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1H5S-query.scw PDB file : Tito_Scwrl_1H5S.pdb: