Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNSFRFTKMHGLGNSYIYVNQFEEQLPEEKLSEIAIQVSSVYTGIGSDGMILICPS-DQAPVKMRIFNNDGSEGKNCGNGLRCVAKYAYE-HKLVEETSFLIETLSGLVKAEVQVENGKVNVVTVDMGEPRLTKSELPM-LDGGE-EHTINETMAFGEVELTGTAVSMGNPH-IVF-----PIADIEQAPLTTLGPVIEKDPRFPEGINVEFVETVNEQELHFRVWERGSGITQACGTGACAAAVASVLNGVSKRNQDITVHLAGGDLVINWK-DNGHVMMTGPAETVCEGVYFL 3EKM Chain:D ((27-311)) ---LHFVKYHGLGNDFILVDNRDSSEPK-ITQEQAAKLCDRNFGVGADGVIFAMPGVNGTDYAMRIFNSDGSEPEMCGNGVRCFARFIAELENLQGKHSFTIHTGAGLIVPEIQ-DDGQVKV---DMGTPILKAQDVPTKLSGNKGEAVVEAELVVDGVSWNVTCVSMGNPHCITFGKKGGPNLKVDDLNLPEIGPKFEHHEMFPARTNTEFVEVLSRSHLKMRVWERGAGATLACGTGACALVVAAVLEGRADRK--CTVDLPGGPLEIEWKQEDNHIYMTGPAEAVFYGSALL

General information: TITO was launched using: RESULT: Template: 3EKM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1753 -21513 -12.27 -78.51 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.81 3D Compatibility (PKB) : -12.27 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.488

(partial model without unconserved sides chains): PDB file : Tito_3EKM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3EKM-query.scw PDB file : Tito_Scwrl_3EKM.pdb: