Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIISGLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKDK------------ILQALFISVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNA--GLVPGYIMVTRVLQL---------GDTVWALIVPMLLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 4KI0 Chain:G ((8-295)) -------------------SQKARLFITHLLLLLFIAAIM-FPLLMVVAISLRQGNFATG-SLIPEQISWDHWKLALGFSVEQADGRITPPPFPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTI---KGYFE-TIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEVPVASLLLRDVNSYTLAVGMQQYLNPQNY------LWGDFAAA----------AVMSALPITIVFLLAQRWLVNGLTAGGVK-

General information: TITO was launched using: RESULT: Template: 4KI0.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 : 938 -102796 -109.59 -387.91 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain G : 0.75 3D Compatibility (PKB) : -109.59 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.241

(partial model without unconserved sides chains): PDB file : Tito_4KI0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KI0-query.scw PDB file : Tito_Scwrl_4KI0.pdb: