Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKKKIKKEKIDNVGIHSFSKKADIFFSIISGLIALSCILPFVFVIIISVTDEKSLLQYGYSFFPSQFGLDGFEFLAQFKD-------------KILQALFISVFVTVVGTLTNVFITTTYAYAISRTTFKYRRFFTIFVLLSMLFNAGLVPG--YIMVTRVLQL------GDTVWALIVPM-LLSPFNIILMRSFFKKTIPEAILESARIDGASEARIFFQICLPLSLPGIATITLLTALGFWNDWFNALLYIKSDNLYPLQYLLMQIQQNMDYIAKAVGLTGQLGVALPKETGRMAMVVVATLPIAILYPFFQRYFVKGLTIGGVKE 3RLF Chain:G ((18-296)) ----------------------------LLLLLFIAAIMFPLLMVVAISLRQGNFAT---GSLIPEQISWDHWKLALGF-SVEQADGRITPPPFPVLLWLWNSVKVAGISAIGIVALSTTCAYAFARMRFPGKATLLKGMLIFQMFPAVLSLVALYALFDRL-GEYIPFIGLNTHGGVIFAYLGGIALHVWTIKGYF-ETIDSSLEEAAALDGATPWQAFRLVLLPLSVPILAVVFILSFIAAITEVPVASLLLRDVNSYTLAVGMQQYLNPQ-NYLW---------------GDFAAAAVMSALPITIVFLLAQRWLVNGLTAGGVKG

General information: TITO was launched using: RESULT: Template: 3RLF.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 : 946 -94975 -100.40 -369.55 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain G : 0.72 3D Compatibility (PKB) : -100.40 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.274

(partial model without unconserved sides chains): PDB file : Tito_3RLF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RLF-query.scw PDB file : Tito_Scwrl_3RLF.pdb: