Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIGTEKVTALKAKHQSKSSTGLSWFERIGYGFGDMSYNIIFQFVNAYLLFYYTDVGGIQPAVIATLFLVVRVLDAIFDPIMGLILDKTNTRWGKARPYLLWVAFPFALFTFLCFTTPHFGETGNMVYAYVTYILLGMSFSMQTIPVNSLTGRMTNSVEERTVLTTTRMILVYIGILLSISCATPLATAIGGEDQAFGFQMTALIYAAVSIVLNLFSFFTVRERIQPK-----K-RK-K---------------------------QGIKKTLSV-LFKNKPLLMLISSFLAFAIGF-----NIKLSTMVYYFTYNVNHKEFVFMGTVLFFGAALISNLFIPFFSEKWGRKQVMIITAALSLIS-YAGLHF----TPYSS-IPLIFIWLF-ASGFFTTPLNTLAWGMVADCVDYAEWKTGIRADGVVISSMSFINKLGVALAGSFSAIYLGIAGYVANTDQTVASLNAIKNMNALIPGFFILLSIILIAFYPLTEKRYKHIISELEQRSAR 4PYP Chain:A ((63-428)) ------------------------------------------------------------TLWSLSVAIFSVGGMIGSFSVGLFVNR----FGRRNSML-MMNLLAFVSAVLMGFSKL---GKSFEMLILGRFIIGVYCGLTTGFVPMYVGEVSPT-ALRGALGTLHQLGIVVGILIAQVFGLDSIM-----GNKDLWPLLLSIIFIPALLQ-CIVLPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVT-ILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEK-AGVQ-QPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQ-------GPRPAAIAVAGFSNWTSNFIVGMCFQYVEQL-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4PYP.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 : 1325 -216516 -163.41 -678.73 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -163.41 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_4PYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYP-query.scw PDB file : Tito_Scwrl_4PYP.pdb: