Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKKVRKAVIPAAGLGTRFLPATKAQPKEMLPIVDKPAIQYIVEEAAESGIEDILIITGRNKRSIEDHFDRSAELEFNLREKGKTETLKEMQQIADLANIHYIRQKEPLGLGHAVLCAEHFIGDEP--FAVLLGDDIMVSETPALRQLMDVYDVYGTEVVGVQSVLPEDVSKYGI--INTSGSQGHVYEVNDLVEKPSPEEAPSEIAVMGRYVLNSSIFSVLKTIGRGAGNEIQLTDALREVCRK-EPIHARLLEGNRYDIGDKLGCFKASTEIGLMRPEMRSQLLAYLEDVIKRETKEMLR 2PA4 Chain:C ((12-297)) ----VKTVVVPAAGLGTRFLPATKTVPKELLPVVDTPGIELIAAEAAELGATRLAIITAPNKAGVLAHFERSSELEETLMERGKTDQVEIIRRAADLIKAVPVTQDKPLGLGHAVGLAESVLDDDEDVVAVMLPDDLVLP-TGVMERMAQVRAEFGGSVLCAVEVSEADVSKYGIFEIEADTKDSDVKKVKGMVEKPAIEDAPSRLAATGRYLLDRKIFDALRRITPGAGGELQLTDAIDLLIDEGHPVHIVIHQGKRHDLGNPGGYIPACVDFGLSHPVYGAQ----LKDAIKQ-------

General information: TITO was launched using: RESULT: Template: 2PA4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 1521 -65136 -42.82 -231.80 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain C : 0.83 3D Compatibility (PKB) : -42.82 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.491

(partial model without unconserved sides chains): PDB file : Tito_2PA4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PA4-query.scw PDB file : Tito_Scwrl_2PA4.pdb: