Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEARVIGLEKLGKHDVELVGGKNSSLGEMISHLSNAGVSVPGGFATTADAYREFLDQSGLNARIQAELAELNVDDVNALAETGAK------------IRQ-------WIVETPLTPGLEQEIREAFAALSNGNPDIA-----------------------------------VAVRSSATAEDLPDAS--FAGQQETFLNIRGI-----DNVLIAVKEVFASLFNDRAIAYRVHQGFEHSLVALSAGVQRMV---RSETGAAGVMFTLDTESGFRDVVFITASYGLGEMVVQGAVNPDEFYLSKPLLNAGKHAVLRRNLGSKHQKMIYGEE--GSAGKSVVVVDVEKQERQQFALNDHELQELAKQ----ALIIEKHYGAPMDIEWAKDGDDGQIYIVQAR------PETVKSRQNVGTMERYLLKQKGTVLCEGRSI---------------GQRIGS----------GKVRIV-NSIKEMDKVQDGDVLVSDMTDPDWEPVMKRAAAIITNRGGRTCHAAIITRELGVPAIVGCGNATEVLTDGQEVTV-----SCAEGD-------TGFIYEGALDFEVQRNSIE-SMPKL--------SFKIMMNVGNPDRAFDFAQIPNEGIGLARLE---FIINRMIGVHPKALLNIESLPRETRAAVMTRTAGYASPVEFYVEKLVEGIATLAAAFADKPV--IVRMSDFKSNEYANLIG-------GKLYEPEEENPMLGFRGASRYISDNFRDCFELECRALKK----VRDEMGLTNI-QIMIPFVRTVSEAKRV----IELLAQNGLKRGEN-GLKVIMMCELPTNALLAEQFLEHFDGFSIGSNDLTQLTLGLDRDSG------------IVSHLFDERD-AAVKALLSMAIHACR--KAGKYVGICGQGPSDHPDLAKWLMEQGIESVSLNPDSVLDTWFFLAEEKIKQI 1DIK Chain:A ((18-856)) -----------------LLGGKGCNLAEM----TILGMPIPQGFTVTTEACTEYYNSG---KQITQEIQDQIFEAITWLEELNGKKFGDTEDPLLVSVRSAARASMPGMMDTILNLGLNDVAVEGFAK-KTGNPRFAYDSYRRFIQMYSDVVMEVPKSHFEKIIDAMKEEKGVHFDTDLTADDLKELAEKFKAVYKEAMNGEEFPQEPKDQLMGAVKAVFRSWDNPRAIVYRRMNDIPGDW-GTAVNVQTMVFGNKGETSGTGVAFTRNPSTG--------------------------------------------------EKGIYGEYLINAQGEDVVAGVRTPQPITQL---ENDMPDCYKQFMDLAMKLEKHFRDMQDMEFTIE--EGKLYFLQTRNGKRTAPAALQIACDL-VDEGMITEEEAVVRIEAKSLDQLLHPTFNPAALKAGEVIGSALPASPGAAAGKVYFTADEAKAAHEKGERVILVRLETSPEDIEGMHAAEGILTVRGGMTSHAAVVARGMGTCCVSGCG---EIKINEEAKTFELGGHTFAEGDYISLDGSTGKI------IETQEASVSGSFERIMVWADKFRTLKVRTNADTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMIL----SDSVEAREEALNELIPFQKGDFKAMYKALEG-RPMTVRYLDPPLHEFVPHTEEEQAELAKNMGLTLAEVKAKVDELHEFNPMMGHRGCRLAVT--YPEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVKDVVVEVAEQVKKEKGSDMQYHIGTMIEIPRAALTADAIAEEAEFFSFGTNDLTQMTFGFSRDDAGKFLDSYYKAKIYESDPFARLDQTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGD-PSSVEFCHKVGLNYVSCSP------------------

General information: TITO was launched using: RESULT: Template: 1DIK.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 : 3853 126285 32.78 187.09 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 32.78 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.361

(partial model without unconserved sides chains): PDB file : Tito_1DIK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DIK-query.scw PDB file : Tito_Scwrl_1DIK.pdb: