Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIISGLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKDK------------ILQALFISVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNA--GLVPGYIMVTRVLQL---------GDTVWALIVPMLLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 3PV0 Chain:G ((8-283)) -------------------SQKARLFITHLLLLLFIAAIM-FPLLMVVAISLRQGNFATG-SLIPEQISWDHWKLALGFSVEQADGRITPPPFPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTI---KGYFE-TIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEVPVASLLLRDVNSYTLAVGMQQYLNPQNY------LWGDFAAA----------AVMSALPITIVFLLAQR-------------

General information: TITO was launched using: RESULT: Template: 3PV0.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 : 812 -71940 -88.60 -284.35 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain G : 0.73 3D Compatibility (PKB) : -88.60 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.261

(partial model without unconserved sides chains): PDB file : Tito_3PV0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PV0-query.scw PDB file : Tito_Scwrl_3PV0.pdb: