Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MVLKSDGYSS-DHIRLNRFVFWSSAVSIGIFGLLFVLFPEK------------SQFWLTYVQ----EQVNHFFGWYYMLVIVLCLGFVAWLAFSR-VG--QIPLGKDHDKPEFGYLAWTSMLFS--AGIGIALL----------YYGVAEPVDHFLRPPEGEAGTIQAARNAMTYSFLHWGIHGWVLYALLGVTLGYF-------------AFRQDLPLALRSALYPIFGERVHGLVGDFVDGFG-IL------ATVISLVTNLGIGALVLVLGICYLIPDNSATLITAVLIMMFVATVTTVVGIEKGLAWLSRINLRLLYALLLFVFLT-GPTNHL-LNGLVQNTGDYLNNFMGKSFDMYLYN-QKAS-GWLGSWTVFYWAWWIAWAPFVGMFI-ARISKGRTIREVVLG-VCLIPLGFTLAWISIFGNTAIHLILNQKQKVLGDMVLS-DPALSLFK-LLEYLPFNPYIAGIVVVICFVLFLTPVGSGTLMIANLSSKGGTSDSDSPIWLRIFWSVVITIVSIGLLLAGSFNSMQSAVVLCGLPFSVIILLYMFGLAKALKQDDFDPNVAKKQLAISK--------DISIPSNCDQNKVTEVL 4YCZ Chain:B ((314-1176)) SEYRYAALAKDAYQQMGTAPVTE----PPQVILGTEDLLSRLYDEKMDDTLATAAAQLAALWREHVDETPFEKANYLANLALQIHHPLPQTLFRWLNEYHMYGSQVDDILRHRPSPACHSLFWQAVFIALKVGDAARLLDQAGWGHVYAYVNVQRAVDETIAVLE-SCPTLFRVRARGLLEHLRRFAEGWEIYENLNIVFDIVLGQQGAILEAAQDWLEATVGLANSESYLDRLARAFHTAVESDFVEIGMACVFEDNIKGVIGLLRGWSLPIAAAVAEIASLGKWLEVDGIKDSTLVQYAQALADYEG-------LSSVQDRDGWELSISVLGRMPERSEEMVRDLVEHLVQQLHVDSNATVDRLWFLLNELGMIEFAEDTTETYGDILARDSHRYGEAMWYYALAHRPNKVREVMNLLTSYSLIQPPANDLDDYLYKLLNDRKNTLEQCASQDMEAAELLGKMLSGYASLRQFYDI-------RPHATPLSRRKQAATALISVIASSDDEDFLLALLGEALVFVSDPTLDQIDVLLKAIEDLQAVGSRVYNACDEFLQLVLASAPGGSSLVASQLQRSLSGTGGEDIMRRLRLGLAKDLAGLWLAEA-

General information: TITO was launched using: RESULT: Template: 4YCZ.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 : 2029 -82250 -40.54 -159.40 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : -40.54 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_4YCZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YCZ-query.scw PDB file : Tito_Scwrl_4YCZ.pdb: