Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MRPGKKSSSNKSRVMKNKYAHRSWLGAVCLLGCSLSYA-------AEEQFNDALNAANSGNTALLDQYQLAMQ----NDVLGYYPEYWKLNTNLGFQSPTSIVSFAQRYP-QSAMAEKLAADYVE---------EKVKQADFASAQPILPYVSNPDQAENCALAQVRAKSGDALVFAEYKDVWLATESQPESCIGLGRMMLSSPLMSTQDKQ----QRLWVQLRAGL---SGQALATAQTLGLNLSLAQLNQIQANPLNYLWSAPKTNDVDYAYLIFALGRLANNDLGNAFANVQRVAQGTPESVQKYLYRTV----------AYIGGTTVMKNNFN-----REVLQYFDASYGYPLSPEEAEIYARQAIRFSAWESLIRAIDSMSVSQKQEDRWQYWLARATEQRGDSNSKNTAQCIYKKLAESGD------DYH----------NLLAKDRLGVRYNHQPYNDE-PTASDLRRLDQNIHFNRAFTLRRINVNPTYTNREWNWAVRQAYLQHDDG------LLLAAAKRAHDMGWYDRAIYAADRTTNKHNDTYRYVTPHKTNVVSHSYNAGIDP-----AWAYGLMRQESRFVTSARSHVGAGGLMQIMPDTAKLIARQMGETYNPAALSEMNTNIRYGTFYLSMIQGQLSNNPVLATAGYNAGPNRARR--WQPDYQPIEADQYTETIPLLE--------TRDYVKHVMTNATHYGVILGQGAQSLIQRMKVIPTRSSP- 4HNY Chain:A ((54-862)) VDSLALKGLDLYSVGEKDDAASYVANAIRASPICCHVLGIYMRNTKEYKESIKWFTAALNNGSTNKQIYRDLATLQSQIGDFKNALVSRKKYWEAF--LGYRANWTSLAVAQDVNGERQQAINTLSQFEKLAEGKISDSEKYEHSECLMYKNDIMYKAASDNQDKLQNVLKHLNDIEPCVF----DKFGLLERKATIYMKLGQLKDASIVYRTLIKRNPDNFKYYKLLEVSLGIQGDNKLKKALYGKLEQFYPRCEPPKFIPLTFLQDKEELSKKLREYVLPQLERGVPATFSNVKPLYQRRKSKVSPLLEKIVLDYLSGLDPTQDPIPFIWTNYYLSQHFLFLKDFPKAQEYIDAALDHT--PTLVEFYILKARILKHLGLMDTAAGILEEGRQLDLQDRFINCKTVKYFLRANNIDKAVEVASLFTKNDDSVNGIKDLHLVEASWFIVEQAEAYYRLYLDRKKKLDDLASQIANDIKENQWLVRKYKGLALKRFNAIPKFYKQFEDDQLDFHSYCMRKGTPRAYLEMLEWGKALYTKPMYVRAMKEASKLYFQMHDDRLKRKSDSLDENDVFGEKLIETSTPMEDFATEFYNNYSMQVREDERDYILDFEFNYRIGKLALCFASLNKFAKRFG----TTSGLFGSMAIVLLHATRPFDPILKKVVTKSLEKEYSEFDWLNFYQEKFGKNDINGLLFLYRYRDDVPIGSSNLKEMIISSLSP---LEPHSQNEILQYYLYPYDVPDY

General information: TITO was launched using: RESULT: Template: 4HNY.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 : 2759 84583 30.66 130.93 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 30.66 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.140

(partial model without unconserved sides chains): PDB file : Tito_4HNY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4HNY-query.scw PDB file : Tito_Scwrl_4HNY.pdb: