Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------------------------------MYTKLLQAIYRDSDLSEKTASMIEQKVSVYQ--QKKGQAGKLHWDEEDIFLITYGDQFFEEQQPT-----------------------LRTFKKFYQKYLADTFRVVHFLPFFPYTSDDGFSVVNYQAINDRLGTWEDIEEMRSET-----RLMFDFVCNHMSAESTWFQEYLNLND--TYKDFFIDLPLDTDTSSVTRPRTSPLLTTFIDKNGKEKHVWTTFSEDQVDLNFKNPEVLLKMIDILLFYLEK-GASFIRLDAVGFLWKELGTSCIHLPETHKIIQLFRAIADEAAPGTVLITETNVPHKDNISYFGNGENEAQMVYQFSLPPLTLQAIRSGNTSKLKEWLKTIDF---ASKKTTFFNFLASHDGIGLNPVRGILPEKTILELVEQLKKEGARVNYKKNPDGTTSPYEINATYLDALSSPTDTTEWRSKRFLAAHSFLVTLPGVPAIYIQSVLGSRNDYKGVEKTGENRKINRQKFLLADIEKELQTDPLRTAVYGELTQMLSIRKKEKAFHPNSLIYLLDSADS-FISFIREAKEEKVLVIHNFSNQSAGYLLPK-----GDYLDLFSGQIIHCSQ-ERKLIFQPYEYMWLKIIK 1BVZ Chain:A ((1-585)) MLLEAIFHEAKGSYAYPISETQLRVRLRAKKGDVVRCEVLYADRYASPEEELAHALAGKAGSDERFDYFEALLECSTKRVKYVFLLTGPQGEAVYFGETGFSAERS---KAGVFQYAYIHRSEVFTTPEWAKEAVIYQIFPERFANGDPSNDPPGTEQWAKDARPRHDSFYGGDLKGVIDRLPYLEELGVTALYFTPIFASPSHHKYDTADYLAIDPQFGDLPTFRRLVDEAHRRGIKIILDAVFNHAGDQFFAFRDVLQKGEQSRYKDWFFIEDFPVSKTSRTNYET-----------------FAVQVPAMPKLRTENPEVKEYLFDVARFWME-QGIDGWRLDVANEV-------------DHAFWREFRRLVKSLNPDALIVGE---IWHDASGWLMGDQFDSVMNYLFRESVIRFFATGEIHAERFDAELTRARMLYPEQAAQGLWNLLDSHDT--------------------------ERFLTSCGGN--------------------------EAKFRLAVLFQMTYLGTPLIYYGDEIGM---------AGATDPDCRRPM-------IWEEKEQNRGLFEFYKELIRLRHRLASLTRGNVRSWHADKQANLYAFVRTVQDQHVGVVLNNRGEKQTVLLQVPESGGKTWLDCLTGEEVHGKQGQLKLTLRPYQGMILWNGR

General information: TITO was launched using: RESULT: Template: 1BVZ.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 : 2431 -9069 -3.73 -19.89 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -3.73 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_1BVZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1BVZ-query.scw PDB file : Tito_Scwrl_1BVZ.pdb: