Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSGRRCAGGGAACASAAAEAVEPAARELFEACRNGDVERVKRLVTPEK-VNSRDTAGRKSTPLHFAAGFGRKDVVEYLLQNGANVQARDDGGLIPLHNACSFGHAEVVNLLLRHGADPNARDNWNYTPLHEAAIKGKIDVCIVLLQHG-AEPTIRNTDGRTALDLADPSAKAV-------------LTGEYKKDELLESARSGNEEKMMALLTPLNVNCHASDGRKSTPLHLAAGYNRVKIVQLLLQHGADVHAKDK-GDLVPLHNACSYGH-YEVTELLVKHGACVNAMDLWQFTPLHEAASKNRVEVCSLLLSYGADPTLLNCHNKSAIDLAPTPQLKE---RLAY------------------EFKGH--------------------------------------------SLLQAAREADVTRIKKHLSLEMVN------FKHPQTHETALHCAAASPYPKRKQICELLLRKGANINEKTKEFLTPLHVASEKAHNDVVEVVVKHEAKVNALDNL----------------------------------GQTSLHRAAYCGHLQTCRLLLSYGCDPNIISLQGFTALQMGNE----NVQQLLQE-GIS---LGNSEADRQLLEAAKAGDVETVKKLCTVQSVNC--RDIEGRQSTPLHFAAGYNRVSVVEYLLQHGADVHAKDKGGLVPLHNACSYGHYEVAELLVKHGAVVNVADLWKFTPLHEAAAKGKYEICKLLLQHGADPT-------------KKNRDGNTPLDLVKD-GDTDIQDLLR--------------GDAALLDAAKKGCLARVKKLSSPDNVNCRDTQGRHSTPLHLAAGYNNLEVAEYLLQHGADVNAQDKGGLIPLHNAASYGHVDVAALLIKYNACVNATDKWAFTPLHEAAQKGRTQLCALLLAHGADPTLKNQEGQTPLDLVSADDVSALLTAAMPPSALPSCYKPQVLNGVRSPGATADALSSGPSSPSSLSAASSLDNLSGSFSELSSVVSSSGTEGASSLEKKEVPGVDFSITQFVRNLGLEHLMDIFEREQITLDVLVEMGHKELKEIGINAYGHRHKLIKGVERLISGQQGLNPYLTLNTSGSGTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMKMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPEGMVDG 5VKQ Chain:D ((233-1212)) -----------------------GKIPLLLAVESGNQSMCRELLAAQTAEQLKATTANGDTALHLAARRRDVDMVRILVDYGTNVDTQNGEGQTPLHIAAAEGDEALLKYFYGVRASASIADNQDRTPMHLAAENGHAHVIEILADKFKASIFERTKDGSTLMHIASLNGHAECATMLFKKGVYLHMPNKDGARSIHTAAAYGHTGIINTLLQK-GEKVDVTTNDNYTALHIAVESAKPAVVETLLGFGADVHVRGGKLRETPLHIAARVKDGDRCALMLLKSGASPNLTTDDCLTPVHVAARHGNLATLMQLLEDEGDPLYKSNTGETPLHMACRACHPDIVRHLIETVKEKHGPDKATTYINSVNEDGATALHYTCQITKEEVKIPESDKQIVRMLLENGADVTLQTKTALETAFHYCAVAGNNDVLMEMISHMNPTDIQKAMNRQSSVGWTPLLIACHRG---HMELVNNLLANHARVDVFDTEGRSALHLAAERGYLHVCDALLTNKAFINSKSRVGRTALHLAAMNGFTHLVKFLIKDHNAVIDILTLRKQTPLHLAAASGQMEVCQLLLELGANIDATDDLGQKPIHVAAQNNYSEVAKLFLQQHPSLVNATSKDGNTCAHIAAMQGSVKVIEELMKFDRSGVISARNKLTDATPLQLAAEGGHADVVKALVRAGASCTEENKAGFTAVHLAAQNGHGQVLDVLKSTNSLRINSKKLGLTPLHVAAYYGQADTVRELLTSVPATVKSETPTGQSLFGDLGTESGMTPLHLAAFSGNENVVRLLLNSAGVQVDAATIENGYNPLHLACFGGHMSVVGLLLSRSAELLQSQDRNGRTGLHIAAMHGHIQMVEILLGQGAEINATDRNGWTPLHCAAKAGHLEVVKLLCEAGASPKSETNYGCAAIWFAASEGHNEVLRYLMNKEHDTYGLMEDKRF--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5VKQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 4671 77198 16.53 102.52 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.63 3D Compatibility (PKB) : 16.53 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_5VKQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5VKQ-query.scw PDB file : Tito_Scwrl_5VKQ.pdb: