Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKSSKFFFEDQKYNKERIVRVLGGNLALLKSKGILYEDSSGDLIFNYV-GVISNGRNVIFILPKYCNRHLDEHSKRTLFNKLLKIFKKYSGLNKSRESDYFV---SELDSDEVSDFMIADYLLNDFSLNGYYQKKFTEYEIDGEGIIDWSKTVNEITPVFSKGVPYYFSTYNEVVQKDEYHLIVKIHKWALSKY-FNDFGVILGFTGLEFD-KSCDGMKILDYADFFGSVINKEIVN-----TYVDRDVKLLKALKTAIDREENQFSKRPTLSLYGTKYFHRVWEEVCKTVFSHVNEYVKKISRPNWINFTDIEVNKEKKTLEPDIIKAFEYRSKEYFLILDAKYYNINFDGKKLEGNPGVEDITKQLLYDKALEKLSRGKTKHNAFLFPSSNSTNTFKVFGSVDFDFLDIAAVTLVYISAEQVYNLYLENKTFSTDDLFKFVSEINKSKKRHSVITSTLYGNMFLFTKRLSDKN 4XE7 Chain:A ((1-419)) -------MVEQMLSKNMLLGGFDTGN----IKAKISFLNEKGNIESFAIPTVIAEAPPAKIDLKSAPSKKNDYVNEKDEDIELLHVRIISNSLDGDARSRAWYVGAYAKDQEDRQEPTVDEMGKTEDKFSQKNKKLHLIPLFTSMAVAAARIGKEEVSVPFSGGMP--IEDYKLRGEEQILEMLYGEHTVEFLDGTYEGKKIKITINDGTMNVEGVSSVLAILFDIVNGEIVEVEGMDAEIGESYAINDLGAGTSDNAFFEDGELNKKLSTNTDLGTNKYIDEILKNIKERFMENEILKSFMTDEIESPFKTREDFIQR--LVMPEVEKMIEDDTYKPTF--------------SVKWGPVKENVTDIV--MDGMLKYAEDQKASLMKFWFKTNADKNIVVGGGVLF--------------------GYAGLRDLKEQDGFILPKNIQESAY------FTSRSYLIANLLEQLNKE

General information: TITO was launched using: RESULT: Template: 4XE7.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 : 2057 -101429 -49.31 -248.60 target 2D structure prediction score : 0.35 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -49.31 2D Compatibility (Sec. Struct. Predict.) : 0.35 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.123

(partial model without unconserved sides chains): PDB file : Tito_4XE7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XE7-query.scw PDB file : Tito_Scwrl_4XE7.pdb: