Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTFKDKVIYQIYPKSYKDSNGDGIGDLKGIKEKLPYLNDLGIDMIWLNPIYPSPQKDNGYDISDYTAIDPIFGTMEEFEQLIAEAKKYRIEIMLDMVLNHVSTEHEWFKKALAG-DQHYQDFFILREEPTDWVSKFGGSAWSPFGDTGKYYLHLYDRTQADLNWRNQAVREELFKVVRFWMEKGVKGFRFDVINVIGKDEQLKNNKENDGKPEYTDKPITHTYLKELNQATFGTDSTIITVGEMSSTTIENCILYTEPSREELSMVFNFHHLKVDYE-NGNKWS-TPPFDFAELKRLFHTWGEKMSEGNGWNALFFNNHDQPRALNRFVAIDQYRKQGAEMLATMIHLNRGTPYIYMGEEIGMIDPDYSSISDYIDVESLNAYKLLLEQGFTEKEAFRRIKAKSRDNSRTPMQWSDTEQAGFTTG-KPWLKVGGKLEEINVEKELSSEDSILSYYKKLIRLRKTYPIVAQGDYHAYEANHPEVYGFLRQFEGQQLLVLTNFYDKDTRIAIPEGFTEANILIDNYSDTVLHQSLELKPYQAIALLKN 4WLC Chain:A ((10-533)) ------TVYQIYPKSFMDTNGDGIGDLKGITSKLDYLQKLGVMAIWLSPVYDSPMDDNGYDIANYEAIADIFGNMADMDNLLTQAKMRGIKIIMDLVVNHTSDEHAWFIEAREHPDSSERDYYIWCDQPNDLESIFGGSAWQYDDKSDQYYLHFFSKKQPDLNWENANLRQKIYDMMNFWIDKGIGGFRMDVIDMIGKIP---------AQHIVSNGPKLHAYLKEMNAASFGQ-HDLLTVGQTWGATPEIAKQYSNPVNHELSMVFQFEHIGLQHKPEAPKWDYVKELNVPALKTIFNKWQTELELGQGWNSLFWNNHDLPRVLSIWGNTGKYREKSAKALAILLHLMRGTPYIYQGEEIGMTNYPFKDLNELDDIESLNYAKEAFTNGKSMETIMDSIRMIGRDNARTPMQWDASQNAGFSTADKTWLPVNPNYKDINVQAALKNSNSIFYTYQQLIQLRKENDWLVDADFELLPTAD-KVFAYLRKVREERYLIVVNVSDQEEVLEIDVDKQET--LISNTNESAALANHKLQPWDAFCI---

General information: TITO was launched using: RESULT: Template: 4WLC.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 : 3056 -8493 -2.78 -16.33 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : -2.78 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_4WLC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WLC-query.scw PDB file : Tito_Scwrl_4WLC.pdb: