Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MAHKHKLDSI----LDFPEASEREDNIIELKTWMSRLRCNKDDQIKSNSVVNAELILTNDSNLAGTIAYNEFSGYIHLLKDSPWINRTAGEWEDSFEDALTAYIEENYNVVFDDNKIHKAVVNVARKNVFNPVKERIEKVKWDQQPRLETLFIDLLGVDDNLYTREVTKRWIVGSVARIYKPGIKFEIVPVLDGPQGIGKSTVPALLYTDDFFTDSLDSLG-----EKKDDYMQLQ-GNVIIELGELSSMNK--TKIEQIKNFISAKI--------DKIRPPYGRNVIAWARQCVFIGTSNDGQYLKDD--TGNRRFYPLPCKNKPKMNPFKTKDEYFLQVLAEAKVLFDKGQRIYFSPDEDKEVLEIAKDYQE--------DAKMENPIKEAITKYLEMEIPYKWEEAPAWARRSYYQNYPDSKCNEKNLQHFYNGATMQQEFYLVDSVLTADILEAVFDKQAKDLLNGRSDAETKKIALIISSIPGWERKQLPKRNKRRGFYNKSNAYENKNRAGKYKK 4UOX Chain:A ((7-459)) SASALACSAHALNLIEKRTLDHEEMKALNREVIEYFKEH----------------VNPGFLEYRKSVTAG-------------------GDYGAVEWQAGSLNTLVDTQGQEFIDCLGGFGIF--NVGHRNPVVVSAVQNQLAKQPLHSQELLDPLRAMLAKTLAALTPGKLKYSFFCNSGTESVEAALK--LAKAYQSPRG--KFTFIAT--SGAFHGKSLGALSATAKSTFRKPFMPLLPGFRHVPFGNIEAMRTALNECKKTGDDVAAVILEPIQGEGGVILPPPG-----YLTAVRKLCDEFGALMILDEVQTGMGRTGKMFACEHENVQP---------DILCLAKALGGGVMPIGATIAT-EEVFSVLFDNPFLHTTTFGGNPLACAAALATINVLLEQNLPAQAEQKGDMLLDGFRQLAREYP----DLVQEARGKGMLMAIEFVDNEIGYNFASEMFRQR---VLVAGTLNNAKTIRIEPPLTLTIEQCELVIKAARKALAAMRVSVEEA--------

General information: TITO was launched using: RESULT: Template: 4UOX.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 : 2213 70139 31.69 167.80 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 31.69 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.126

(partial model without unconserved sides chains): PDB file : Tito_4UOX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UOX-query.scw PDB file : Tito_Scwrl_4UOX.pdb: