Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MRQEELTIHKALPADGDWKSLLFQPLPERDHYETAQGLSFSRLAGQILGTPIDETDYY----NELYELSVNDR-ITILSETLDKTIEPETFQKLQHIHSINQKEKGLSVSRFVAFLDGEKLIA------KHSNPLM------------------------HRHLRKALMTLLHTFADSHEKGLNHP---DFRRV--------------------------LLDVSKFSLN-HLNPWL----------EKTDIER----------------EMPKVVW-------YGDATKSQLYFLY---YLMLVGCDVLLFHPAGTDQLALV--DPKQELGFTEKLPDVSELQPFPKEKPDRKSTVAYRST-----KEIEHVLNHEESMLYKPWQFRDH--TPVSVTLKTTYDELFLITKERAFIRPNF-KADKHSIE-IPNVFAKIM--GVSKDNKEYWNRLHTLA------DYQETEMVRSFPFTEEIKSNYQFHYSH--------------ALDQEGNI-----DPD----KLMASNVWQYKQL----PAGVQTAI---------AKTIS---------RMCRYPRLKALHQ--------------------------EQVK----------------------------DVQIYLFK-----QTTNLPANL---LKLIQ---MFDYAQTVPKLVLYHTEMS---GG--LTRSDAAALLFLNEI--------GIDIIIYNPPGHQDIEQFIEEDQYD--IHWLD-----DMVFQQDYKEPSLVKRLFRTITQK 5C2V Chain:A ((1-781)) EPVMTGGPVQGKALWTDYSGMSKEVQ--------GPVSQILFTQSPRTAKGDPYQNYPHYIPEGSRIVLFDLNTKELKVLTNDFATAFDPCTYWDGKKFAFAGVHKKGGGCQIWEMNIDGSGLRQMTDLKGTCRSPIYYAAGSIEEGEGRIIWRDREGDWKEHGMVEKTGMIIFSGSPEGVMDEFHNPYAYNLYRLDTQGGKIIQRITGHVLSGIEFPHLNTTIDQITYNLSSNFDPWLTPDGNILFSSVQANGSRAGGEGRVMICVDNWDGAYPRPIYGNCDGEIGGTSGRSQAKITFGDRKIVYVESPYMNW---GVGQLAAVSWDAPFNKTYEKLTGKDGGLYRSPYPLPDDRMLVSYAERGDFGIYWFNFSKCAAGDKVYDDPNWNDHQPAPVYVKYKPRWINTFTAGKNFGVTVVTYQPFDQVKVEGYPHSWGTWICFDTTLSDQPVGPYPHQKAKNVSHGDIKAVRIIQGYQCVEPDSTRFRVGAGAHLLGGERSSSNSGTAFQQRGIIGYQYVESDGSTVTSQLSDVPYYMQILDDKGMSVQTALTWAYLRPYHGRICSGCHYGSYRGRAFKNIHAKALYNWWYDDRSHYDSPFAFRYLKFDNDGNYKGVKHGEDVVGTTSQPVEGLTLDKQRTVDFRRDIQPILDAKCAMCHDSNNPPNLGGGLELVSVDGIAAYSRAYNSLLEPQRGKDPNIGGKYVNPSAAINSLLVWRLYEAELSANAPREKIFPIEGRLLHNKFLTQDERYAIVEWIDLGAQWDNIPGPDFYPGYLV----------

General information: TITO was launched using: RESULT: Template: 5C2V.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 : 2389 -80174 -33.56 -155.38 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -33.56 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.051

(partial model without unconserved sides chains): PDB file : Tito_5C2V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C2V-query.scw PDB file : Tito_Scwrl_5C2V.pdb: