Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MKKIKWLSGQPKVTSGVTWGM-----PWKKGELKKGDR---------LALMNENAETRYVQSEP-----SAYWPD---GSIKWTKH-------AAVFGGQENQSFTVHKREVPQPTESLSILETE------HDIQVDTGALVCTI--HKTGSDFIQSLQINGKPIAAGGRLVAIRETRKESAAKMVLLHERSVSFIKRAAIEQSGPVKAVVKIEGVHVLH--KTYEEWLPFVIRLTFYAGLSEIG---------LVHTQLIDRSGKLEFVKGL------GIEFDLFLEGEPYNRHFRFAGEKGMYKEPAQLFGTRK----------------FNERYPLYEKQINGEM-LSPDEE------------HKEWFAHGT--QNAVWDDVKIVQDS--SDHYSLSKRTGKDYAW-----VGMLHGSRAKGLCYAGGK---------NGGVALGLRYFFEKYPSALEITGLAGSRPKMTIWLWPP---------DGEAMDLRHYTGNTHVASAYEGF------DEMRSDPTGIANTNEISLACFSHMPS-------------DEVLNALADKWQAPP--LIVCEPDVYYESKALGVWSIIDTSHPLKKE-LEEQLDAAFLFYKKEVEQRRWYGFWHYGDVMHTYDPIRHMWRYDLGGYAWQNNELVPTLWLWQAFFRSGREDIFRMAEAMTRHTSET--------------------DSFHLGEYAGLGSRHNVVHWGCGCKEARIS---------------------------MAGLHKFYYYLTGDDRTGDLLTEVKDADYALVKTDPM----RAFYEKGKHPTHARTGPDWAAFCSNW-----------------------------------LAEWERTENSEYLKKIETGINCLKRLPLRLLSGPT--------------FEYDPATSMLHHMGDGIAGGYHMIIAFGAP------------QVWMELAELLDDW-----------EWEDMLSEFGEFYTLSDEEKR------KKSGGALHDGHFHWPMFAAG----MTAYAARKKQDPHLAAKAWNLLLEDKLSHTPLPIKPERIETWTQLEELPWVTTNTVSQWCLNVIAALELIGD--SLPAKKETSGKKG--------------- 4M8O Chain:A ((31-1186)) ALSAQQLLNASKIDDIDSMMGFERYVPPQYNGRFDAKDIDQIPGRVGWLTNMHATLVSQEVTTNQGISGVDFYFLDEEGGSFKSTVVYDPYFFIACNDESRVNDVEELVKKYLESCLKSLQIIRKEDLTMDNHLLGLQKTLIKLSFVNSNQLFEARKLLRPILQDNANNNVQRNIYNVKVDAKHLIEDIREYDVPYHVRVSIDKDIRVGKWYKVTQQGFIEDTRKIAFADPVVMAFAIATTKPPLKFPDSAVDQIMMISYMIDGEGFLITNREIISEDIEDFEYTPKPEYPGFFTIFNENDEVALLQRFFEHIRDVRPTVISTFNGDFFDWPFIHNRSKIHGLDMFDEIGFAPDAEGEYKSSYCSHMDCFRWVKRDSYLPQGSQGLKAVTQSKLGYNPIELDPELMTPYAFEKPQHLSEYSVSDAVATYYLYMKYVHPFIFSLCTIIPLNPDETLRKGTGTLCEMLLMVQAYQHNILLPNKHTDPIERFYDGHLLESETYVGG-HVESLEAGVFRSDLKNEFKIDPSAIDELLQELPEALKFSVEVENKSSVDKVTNFEEIKNQITQKLLELKENNIRNELPLIYHVDVASMYPNIMTTNRLQPDSIKAERDCA------SCTCARKLKWAWRGEFFPSKMDEYNMIKRALQNETFPNKNKFSKKKVLTFDELSYADQVIHIKKRLTEYSRKVYHRVKVSEIVEREAIVCQRENPFYVDTVKSFRDRRYEFKGLAKTWKGNLSKIDPSDKHARDEAKKMIVLYDSLQLAHKVILNSFYGYVM---RKGSRWYSMEMAGITCLTGATIIQMARALVERVGRPLELDTDGIWCILPKSFPETYFFTLENGKKLYLSYPCSMLNYRVHQKFTNHQYQELKDPLNYIYETHSENTIFFEVDGPYKAMILPSSKEEGKGIKKRYAVFNEDGSLAELKGFELKRRGELQLIKNFQSDIFKVFLEGDTLEGCYSAVASVCNRWLDVLDSHGLMLEDEDLVSLICENRSMSKTLKEYEGQKSTSITTARRLGDFLGEDMVKDKGLQCKYIISSKPFNAPVTERAIPVAIFSA----DIPIKRSFLRRWTLDPSLEDLDIRTIIDWGYYRERLGSAIQKIITIPAALQGVSNPVPRVEHPDWLKRKIAT

General information: TITO was launched using: RESULT: Template: 4M8O.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 : 3357 -226539 -67.48 -268.73 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -67.48 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.096

(partial model without unconserved sides chains): PDB file : Tito_4M8O.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4M8O-query.scw PDB file : Tito_Scwrl_4M8O.pdb: