Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVMTKKDTNISTQQPLWLQGYIDSPEKQNQLYKKTLKILIFSQIFGGAGLGAGITVGALLAQDMIGSENVAGIPTALFTF--GSAVAALLIGASSQRFGRRAGLAGGFLIGGLGAIGVIIAALINSVALLF----VSLLIYGA-GMASNLQVRYAGTDLANEKQRATAASMALVSTTLGAVVGPNLVNTMGEFADSIGVPNLAGPFIMSGAAFIIAGIILLIFLRPDPLFVSTAIANAEKKDDKVQIGGS----LKNPAIDKKGIMVGAVIM-ILAQLIMTAIMTMTPVHMGHHGHGLSEVGLVIGLHIAAMYLPSPLTGLLVDKFGRTTMAIASGATLLAAGLVAAIAPADSLSLLILALVLLGVGWNFGLLTGTALIIDSTHPSLRAKTQGTFDVLLALSGAAGGALSGMVVAHSSYTILSISGAVLSLLLIPVVIWYFRRIQEKA 4ZP2 Chain:A ((5-254)) --------------------------RQALLFPLCLVLYEFSTYIGNDMIQPGML--AVVEQYQAGIDWV---PTSMTAYLAGGMFLQWLLGPLSDRIGRRPVMLAGVVWFIVTCLAILLAQNIEQFTLLRFLQGISLCFIGAVGYAA---IRESFEEAVCIKITALMANVALIAPLLGPLVG----------AAWIHVLPWEGMFVLFAA---LAAISFFGLQRAMP---ETATRIGEKLSLK-ELGRDYKLVLKNGRFVAGALALGFVSLPLLAWIAQSPIIIITGEQLSSYEYGLLQV---------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZP2.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 : 995 -143364 -144.08 -602.37 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -144.08 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.329

(partial model without unconserved sides chains): PDB file : Tito_4ZP2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZP2-query.scw PDB file : Tito_Scwrl_4ZP2.pdb: