Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKVRKAVIPAAGLGTRFLPATKAQPKEMLPIVDKPAIQYIVEEAAESGIEDILIITGRNKRSIEDHFDRSAELEFNLREKGKTETLKEMQQIADLANIHYIRQKEPLGLGHAVLCAEHFIGDEPFAVLLGDDIMVSETPALRQLMD--VYDVYGTEVVGVQSVLPEDVSKYGIINTSGSQGHVYEVNDLVEKPSPEEAPSEIAVMGRYVLNSSIFSVLKTIGRGAGNEIQLTDALREVCRKEPIHARLLEGNRYDIGDKLGCFKASTEIGLMRPEMRSQLLAYLEDVIKRETKEMLR 1MP3 Chain:B ((2-205)) ---KTRKGIILAGGSGTRLYPVTMAVSQQLLPIYDKPMIYYPLSTLMLAGIRDILII------STPQDTPRFQQLLGDGSQWG--------------LNLQYKVQPSPDGTAQAFIIGEEFIGHDDCALVLGDNIFYGHD--LPKLMEAAVNKESGATVFAYHVNDPE---RYGVVEFDQAGTAV----SLEEKPL--QPKSNYAVTGLYFYDNSVVEMAKNLKPSARGELEITDINR-------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1MP3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1023 -68107 -66.58 -337.16 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -66.58 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.438

(partial model without unconserved sides chains): PDB file : Tito_1MP3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1MP3-query.scw PDB file : Tito_Scwrl_1MP3.pdb: