Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFKRTFLFTIIAATLSTVYAAPLTKDNGAPVGDNQNSTTAGANGATLLQDVQLIQKLQRFGRERIPERVVHARGTGVYGEFVSTKDLSDLTLASLFKAGTKTPVFVRFSTVIHPKGSPETARDPHGFAVKFYTQQGNWDLVGNNLPVFFIRDAIKFPDFVHAMKPDPVTNVQDPNRIFDFLQSQPWSINMLTYVYSNLGTAESYRTLDGFGVHAFKLYNDKGEYKYVKFNWRSQQGVKGLNLEQVREVQGRDWSHLTNDMYKNIYAGNYPKWDLYIQVLDPKDLDKFDFNPLDATKIWPNELVPEFKVGTLTLNRMPKNFFQETEQSAFAPGNLIPGIEPSEDRLLQGRVFSYSDTQLYRLGVNYQQIPVNRPRVAVNNNNQEGFMNMGQ-TESHVNYEPSQIEPKPATEK------ARAVQTP-----------LEGT-VM--QHAIQKQQPYKQAGDLYRSYS-ALEKKDLIRNLAADLGQVKNVETKTVMLSYFYKADADYGTRLAKAAQLKDE 4B7F Chain:A ((19-513)) -------------------SGNTTRHNGAPVPSENISATAGPQGPNVLNDIHLIEKLAHFNRENVPERIPHAKGHGAFGELHITEDVSEYTKADLFQPGKVTPLAVRFSTVAGEQGSPDTWRDVHGFALRFYTEEGNYDIVGNNTPTFFLRDGMKFPDFIHSQKRLNKNGLRDADMQWDFWTRAPESAHQVTYLMGDRGTPKTSRHQDGFGSHTFQWINAEGKPVWVKYHFKTRQGWDCFTDAEAAKVAGENADYQREDLYNAIENGDFPIWDVKVQIMPFEDAENYRWNPFDLTKTWSQKDYPLIPVGYFILNRNPRNFFAQIEQIALDPGNIVPGVGLSPDRMLQARIFAYADQQRYRIGANYRDLPVNRPINEVNTYSREGSMQYIFDAEGEPSYSPNRYDKGAGYLDNGTDSSSNHTSYGQADDIYVNPDPHGTDLVRAAYVKHQDDDDFIQPGILYREVLDEGEKERLADNISNAMQGIS-EATEPRVYDYWNNVDENLGARVKELYLQK--

General information: TITO was launched using: RESULT: Template: 4B7F.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 : 2278 -29476 -12.94 -62.32 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -12.94 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.420

(partial model without unconserved sides chains): PDB file : Tito_4B7F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B7F-query.scw PDB file : Tito_Scwrl_4B7F.pdb: