Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKAWWKEAVVYQIYPRSFKDSNGDGIGDIQGIRTKLSYIKELGADVIWICPLYDSPNADNGYDIRDYQNILSEFGTMEDFDELLGDIHDLDMKLIMDLVVNHTSDEHPWFIESRSSIHSEKRDWYIWKDGK-NGKTPNNWESIFGGPAWEYDQKTSQYYLHLFDKKQPDLNWENEKVRNAVYDMINWWLDKGIDGFRVDAIT-HIKKKEGFPDMPNPKGLDYVPSFP-----------YHMNADGIMDLLTELKENTFSRYPIMT----VGEANGVAAKEAADWAGEKNGIFSMIFQFEHLGLWDVEINESIDIVAFKRILTDWQDSLEGIGWNALFMENHDQPRSVSVWGDDGVYLKESAKALSAVYFLMKGTPFIYQGQELGMTNVAFPSIEDYDDVALKRLYETKTAKGTSHEDVMKIVWK--KGRDNSRTPMQWNAGPYAGFSEAKPWIGINENYKWLNAEAQKNDKTSVYHFYKSLIKLRQTYDVFINGTYELILPEDQQIFAYLRKNESHTALIAANLTGTPALFRHSGLPLSSDALVLSNIETEPHKHMTSVLLKPYEARIYLWC 3WY3 Chain:B ((7-496)) ----WWRGGVIYQIYPRSFLDSRGDGVGDLNGITEKLDYVASLNVDGIWLSPFFTSPMLDFGYDVSDYRDVDPMFGTLEDFKALLEKAHSLGLKVMIDQVISHTSDQHPWFQESRQNRTNPKADWFVWADPKPDGTPPNNWLSIFGGSAWTFDSRRQQYYLHNFLTSQPDVNFHHPEARQAQLDNMRFWLDLGVDGFRLNTVNFYFHDAELRDNPPVPKGEAKTLGAPEANPYTWQRHVYDLSRPENLDFLKDLRA-LMDEYPGTTTVGEIGDDNPLERMAEYTAGGDK---LHMAYTFDLL-------NMPHSASYLREVIERFQ-RLAGDAWPCWATSNHDVVRSATRWGADED-PHAYPKVMLAVLFSLRGSVCLYQGEELGLPEA---------DVPFERI----------QDPYGKVLWPEFKGRDGCRTPMPWTDGEQGGFSPVEPWLPMEARHLELAVSRQQDDPNATLNTVRALLAFRRSHPALFDGDLSLVDVGD-DLLGFTRQKGDETLLCVFNLTG----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WY3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2721 1974 0.73 4.19 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : 0.73 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_3WY3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WY3-query.scw PDB file : Tito_Scwrl_3WY3.pdb: