Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----MILITGANGQLGTELRYLLDERNEEYVAV-------DVAEMDITDAEMVEKVFEEVKPTLVYHCAAYTA--VDAAEDEGKELDFAINVTGTKNVAKASEKHGATLVYISTDYVFDGKKPVGQEWEVDDRPDPQTEYGRTKRMGEELVEKHVSNFYIIRTAWVFGNYGKNF----VFTMQNLAKTHKTLTVVNDQYGRPTWTRTLAEFMTYLAENRKE----FGYYHLSNDATEDTTWYDFAVEILKDTDVE---VKPVDSSQFPAKAKRPLNSTMSLAKAKATGFVIPT-WQDALQEFYKQEVR---------- 4NDN Chain:F ((15-323)) IPNRRVLVTGATGLLGRAVHKEFQQNNWHAVGCGFRRARPKFEQVNLLDSNAVHHIIHDFQPHVIVHCAAERRPDVDAASQ--------LNVDASGNLAKEAAAVGAFLIYISSDYVFDGTNPPYRE---EDIPAPLNLYGKTKLDGEKAVLENNLGAAVLRIPILYGEVEKLEESAVTVMFDKVQFSNKSANMDHWQQRFPTHVKDVATVCRQLAEKRMLDPSIKGTFHWSGN--EQMTKYEMACAIADAFNLPSSHLRPITDSPVLGAQ-RPRNAQLDCSKLETLGIGQRTPFRIGIKESLWPFLIDKRWRQTVFH

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 : 1470 43651 29.69 162.27 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain F : 0.73 3D Compatibility (PKB) : 29.69 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.547

(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: