Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MTKVLVTGAGGQLGLELCRQLKQAGYEVIAL-------TKKMMNIADQRSVRHSFGHYQPDIVVNSAAFTSVDQCEKELDKAYLINGIGAYYTALESTRIGAQYVHISTDYVFNGKGTQPYREDDPLDPKTIYGKSKRLGEELIRLTTKDSTIIRTSWVYG----HGGSNFVETMLKLAETKQELRVVSDQIGSPTYTKDLAEAVIKLFSHPP------GIYHVSNSGICSWYEFATAIMEESGLETAILSVTTEEYGNKTPRPAYSVLSHRAIEEAGIRPRH-WREALREYLQE-------RSSACD 4NDN Chain:F ((15-323)) IPNRRVLVTGATGLLGRAVHKEFQQNNWHAVGCGFRRARPKFEQVNLLDSNAVHHIIHDFQPHVIVHCAAERR-----PDVDAASQLNVDASGNLAKEAAAVGAFLIYISSDYVFDGTNP-PYREEDIPAPLNLYGKTKLDGEKAVLENNLGAAVLRIPILYGEVEKLEESAVTVMFDKVQFSNKSANMDHWQQRFPTHVKDVATVCRQLAEKRMLDPSIKGTFHWSGNEQMTKYEMACAIADAFNLPSSHLRPITDSPVLGAQRPRNAQLDCSKLETLGIGQRTPFRIGIKESLWPFLIDKRWRQTVFH

General information: TITO was launched using: RESULT: Template: 4NDN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1528 38091 24.93 137.51 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain F : 0.71 3D Compatibility (PKB) : 24.93 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_4NDN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4NDN-query.scw PDB file : Tito_Scwrl_4NDN.pdb: