Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIISGLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKDK------------ILQALFISVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNA--GLVPGYIMVTRVLQL---------GDTVWALIVPMLLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 4KHZ Chain:G ((8-283)) -------------------SQKARLFITHLLLLLFIAAIM-FPLLMVVAISLRQGNFATG-SLIPEQISWDHWKLALGFSVEQADGRITPPPFPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTI---KGYFE-TIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEVPVASLLLRDVNSYTLAVGMQQYLNPQNY------LWGDFAAA----------AVMSALPITIVFLLAQR-------------

General information: TITO was launched using: RESULT: Template: 4KHZ.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 : 815 -77255 -94.79 -305.35 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain G : 0.73 3D Compatibility (PKB) : -94.79 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.262

(partial model without unconserved sides chains): PDB file : Tito_4KHZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KHZ-query.scw PDB file : Tito_Scwrl_4KHZ.pdb: