Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNICLLGATGSIGEQTLDVLRAHQDQFQLVSMSFG-RNIDKAVPMIEVFQPKFVSVGDLDTYHKLKQMSFSFECQIGLGEEGLIEAAVMEEVDIVVNALLGSVGLIPTLKAIEQKKTIALANKETLVTAGHIVKEHAKKYDVPLLPVDSEHSAIFQALQGEQAKNIERLIITASGGSFRDKTREELESVTVEDALKHPNWSMGAKITIDSATMMNKGLEVIEAHWLFDIPYEQIDVVLHKESIIHSMVEFHDKSVIAQLGTPDMRVPIQYALTYPDRLPLPDAKRLELWEIGSLHFEKADFDRFRCLQFAFESGKIGGTMPTVLNAANEVAVAAFLAGKIPFLAIEDCIEKALTRHQLLKKPSLADIQEVDKDTRGYVNSILT 2Y1F Chain:B ((23-364)) --RVVVLGSTGSIGTQALQVIADNPDRFEVVGLAAGGAHLDTLLRQRAQTGVTNIAVADEHAAQRVGDIPYH-------GSDAATRLVEQTEADVVLNALVGALGLRPTLAALKTGARLALANKESLVAGGSLVLRAARPGQI--VPVDSEHSALAQCLRGGTPDEVAKLVLTASGGPFRGWSAADLEHVTPEQAGAHPTWSMGPMNTLNSASLVNKGLEVIETHLLFGIPYDRIDVVVHPQSIIHSMVTFIDGSTIAQASPPDMKLPISLALGWPRRVS-GAAAACDFHTASSWEFEPLDTDVFPAVELARQAGVAGGCMTAVYNAANEEAAAAFLAGRIGFPAIVGIIADVL------------------------------

General information: TITO was launched using: RESULT: Template: 2Y1F.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1922 -221218 -115.10 -648.73 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -115.10 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_2Y1F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2Y1F-query.scw PDB file : Tito_Scwrl_2Y1F.pdb: