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 3WY2 Chain:A ((7-496)) ----WWRGGVIYQIYPRSFLDSRGDGVGDLNGITEKLDYVASLNVDGIWLSPFFTSPMLDFGYDVSDYRDVDPMFGTLEDFKALLEKAHSLGLKVMIDQVISHTSDQHPWFQESRQNRTNPKADWFVWADPKPDGTPPNNWLSIFGGSAWTFDSRRQQYYLHNFLTSQPDVNFHHPEARQAQLDNMRFWLDLGVDGFRLDTVNFYFHDAELRDNPPVPKGEAKTLGAPEANPYTWQRHVYDLSRPENLDFLKDLRA-LMDEYPGTTTVGEIGDDNPLERMAEYTAGGDK---LHMAYTFDLL-------NMPHSASYLREVIERFQ-RLAGDAWPCWATSNHDVVRSATRWGADED-PHAYPKVMLAVLFSLRGSVCLYQGEELGLPEA---------DVPFERI----------QDPYGKVLWPEFKGRDGCRTPMPWTDGEQGGFSPVEPWLPMEARHLELAVSRQQDDPNATLNTVRALLAFRRSHPALFDGDLSLVDVGD-DLLGFTRQKGDETLLCVFNLTG----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3WY2.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 : 2748 2450 0.89 5.20 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 0.89 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.440

(partial model without unconserved sides chains): PDB file : Tito_3WY2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WY2-query.scw PDB file : Tito_Scwrl_3WY2.pdb: