Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIISGLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKDK------------ILQALFISVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNA--GLVPGYIMVTRVLQL---------GDTVWALIVPMLLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 3PUW Chain:G ((9-295)) --------------------QKARLFITHLLLLLFIAAIM-FPLLMVVAISLRQGNFATG-SLIPEQISWDHWKLALGFSVEQADGRITPPPFPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRLGEYIPFIGLNTHGGVIFAYLGGIALHVWTI---KGYFE-TIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEVPVASLLLRDVNSYTLAVGMQQYLNPQNY------LWGDFAAA----------AVMSALPITIVFLLAQRWLVNGLTAGGVK-

General information: TITO was launched using: RESULT: Template: 3PUW.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 : 931 -105035 -112.82 -397.86 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain G : 0.75 3D Compatibility (PKB) : -112.82 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.269

(partial model without unconserved sides chains): PDB file : Tito_3PUW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUW-query.scw PDB file : Tito_Scwrl_3PUW.pdb: