Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIISGLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKDK-------ILQALFISVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNA--GLVPGYIMVTRVLQL---------GDTVWALIVPMLLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 2R6G Chain:G ((8-295)) -------------------SQKARLFITHLLLLLFIAAIM-FPLLMVVAISLRQGNFATG-SLIPEQISWDHWKLALGFSV-ITPPPFPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTI---KGYFE-TIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEVPVASLLLRDVNSYTLAVGMQQYLNPQNY------LWGDFAAA----------AVMSALPITIVFLLAQRWLVNGLTAGGVK-

General information: TITO was launched using: RESULT: Template: 2R6G.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 974 -79652 -81.78 -301.71 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain G : 0.75 3D Compatibility (PKB) : -81.78 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.244

(partial model without unconserved sides chains): PDB file : Tito_2R6G.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2R6G-query.scw PDB file : Tito_Scwrl_2R6G.pdb: