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

General information: TITO was launched using: RESULT: Template: 1IIN.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 : 991 -66879 -67.49 -331.08 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -67.49 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_1IIN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1IIN-query.scw PDB file : Tito_Scwrl_1IIN.pdb: