Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------MYTKLLQAIYRD-SDLSEKTASMIEQKVSVYQQKKGQAGKL----------HWDEEDIFLITYGDQFFEEQQPTLRTFKKFYQKYLADTFRVVHFLPFFPY---TSDDGFSVVNYQAINDRLGTWEDIEEMRSETR-----LMFDFVCNHMSAESTWFQEYLNLNDTYKDFFIDLPLDTDTSSVTRPRTSPLLTT---FIDKNGKEKHVWTTFSEDQVDLNFKNPEVLLKMIDILLFYLEKGASFIRLDAVGFLWKELGTSCIHLPETHKIIQLFRAIADEAAPGTVLITETNVPHKDNISYFGNGENEAQMVYQFSLPPLTLQAIRSGNTSKLKEWLKTIDFASKKTTFFNFLASHDGIGLNPVRGILPEKTILELVEQLKKEGARVNYKKNPDGTTSPYEINATYLD--------ALSSPTDTTEWRSKRFLAAHSFLVTLPGVPAIYIQSVLGSRNDYKGVEKTG---ENRKINRQKFLLADIEKELQTDPLRTAVYGELTQMLSIRKKEKAFHPNSLIYLLDSADSFISFIREAKEEKVLVIHNFSNQSAGYLL-----PKGDYLDLFSGQIIHCSQERKLIFQPYEYMWLKIIK 1G5A Chain:A ((1-628)) SPNSQYLKTRILDIYTPEQRAGIEKSEDWRQFSRRMDTHFPKLMNELDSVYGNNEALLPMLEMLLAQAWQSYSQRNSSLKDIDIARENNPDWILSNKQVGGVCYVDLFAG----DLKGLKDKIPYFQELGLTYLHLMPLFKCPEGKSDGGYAVSSYRDVNPALGTIGDLREVIAALHEAGISAVVDFIFNHTSNEHEWAQRCAAGDPLFDNFYYIFPDRRMPDQYDRTLREIFPDQHPGGFSQLEDGRWVWTTFNSFQWDLNYSNPWVFRAMAGEMLFLANLGVDILRMDAVAFIWKQMGTSCENLPQAHALIRAFNAVMRIAAPAVFFKSEAIVHPDQVVQYIGQ--DECQIGYNPLQMALLWNTLATREVNLLHQALTYRHNLPEHTAWVNYVRSHDDIGWTFADEDAAYLGISGYDHRQFLNRFFVNRFDGSFARGVPFQYNPSTGDCRVSGTAAALVGLAQDDPHAVDRIKLLYSIALSTGGLPLIYLGDEVGTLNDDDWSQDSNKSDDSRWAHRPRYNEALYAQRNDPSTAAGQIYQDLRHMIAVRQSNPRFDGGRLVTFNTNNKHIIGYIRN---NALLAFGNFSEYPQTVTAHTLQAMPFKAHDLIGGKTVSLNQDLTL--QPYQVMWLEIA-

General information: TITO was launched using: RESULT: Template: 1G5A.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 3007 60270 20.04 109.78 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 20.04 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.370

(partial model without unconserved sides chains): PDB file : Tito_1G5A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1G5A-query.scw PDB file : Tito_Scwrl_1G5A.pdb: