Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTFKDKVIYQIYPKSYKDSNGDGIGDLKGIKEKLPYLNDLGIDMIWLNPIYPSPQKDNGYDISDYTAIDPIFGTMEEFEQLIAEAKKYRIEIMLDMVLNHVSTEHEWFKKALA-GDQHYQDFFILREE-----------PTDWVSKFGGSAWSPFGDTGKYYLHLYDRTQADLNWRNQAVREELFK-VVRFWMEKGVKGFRFDVINVIGKDEQLKNNKE------N-DGKPEYTDKPITHTYLKELNQATFGT---DSTIITVGEMSSTTIENCILYTEPSREELSMVFNFHHLKVDYENGNKWSTPPFDFAELKRLFHTWGEKMSEGNGWNALFFNNHDQPRALNRFVAID-QYRKQGAEMLATMIHLNRGTPYIYMGEEIGMIDPDYSSISDYIDVESLNAYKLLLE----QGFTEKEAFRRIKAKSRDNSRTPMQWSDT-EQAGFTTG--KPWLKVGGKL-EEINVEKELSSEDSILSYYKKLIRLRKTYPIVAQ-G-DYHAYEAN-HPEVYGFLRQFEGQQLLVLTNFYDKDTRIAIPEGFTEANILIDNYS-DTVLHQSLELKPYQAIALLKN 3A4A Chain:A ((15-588)) --WKEATFYQIYPASFKDSNDDGWGDMKGIASKLEYIKELGADAIWISPFYDSPQDDMGYDIANYEKVWPTYGTNEDCFALIEKTHKLGMKFITDLVINHCSSEHEWFKESRSSKTNPKRDWFFWRPPKGYDAEGKPIPPNNWKSYFGGSAWTFDEKTQEFYLRLFCSTQPDLNWENEDCRKAIYESAVGYWLDHGVDGFRIDVGSLYSKVVGLPDAPVVDKNSTWQSSDPYTLNGPRIHEFHQEMNQFIRNRVKDGREIMTVGEMQHASDETKRLYTSASRHELSELFNFSHTDVGTSPLFRYNLVPFELKDWKIALAELFRYINGTDCWSTIYLENHDQPRSITRFGDDSPKNRVISGKLLSVLLSALTGTLYVYQGQELGQINFKNWPVEKYEDVEIRNNYNAIKEEHGENSEEMKKFLEAIALISRDHARTPMQWSREEPNAGFSGPSAKPWFYLNDSFREGINVEDEIKDPNSVLNFWKEALKFRKAHKDITVYGYDFEFID-LDNKKLFSFTKKYNNKTLFAALNFSSDATDFKIPNDDSSFKLEFGNYPKKEVDASSRTLKPWEGRIYIS-

General information: TITO was launched using: RESULT: Template: 3A4A.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 : 3133 78841 25.16 146.54 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : 25.16 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.448

(partial model without unconserved sides chains): PDB file : Tito_3A4A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A4A-query.scw PDB file : Tito_Scwrl_3A4A.pdb: