Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------MRRIDKIYHQLKHNFHDSTLDHLLKIQGNSAKEIAEQLKMERSNVSFELNNLVRSKKVIKIKTFPVRYIPVEIAEKLFNKKWDTEMMEVKDLQAFSGNSKQNHQHISTNPLELMIGAKGSLKKAISQAKAAVFYPPNGLHMLLLGPTGSGKSLFANRIYQFAIYSDILKAGAPFITFNCADYYNNPQLLLSQLFGHKKGSFTGAAEDKAGLVEQANGGILFMDEIHRLPPEGQEMLFYFIDSGSYNRLGESEHKRTSNVLFICATTENPSSALL-----KTFLRRIP-MTIHIPSLEERSLNERVDLTTFLLGKEAERIKKNLSVHIDVYNALIHSAKFGNVGQLKSNVQLVCAHGFLHNLDRNEVIELTVRDLPDEIKQEWMSSSKNMQRSKAISEYVNITTIISPIVEDETTKIDEDLSFNLYHLIEEKVKTLMKEGLSKKDINQYILTDVHLHVRSFFHHQAFQKDNLLTFVEDDVIQMTKQLKEIAEHELDCTFDRKFIYFLSMHIDAFLKRGKQIDVLNTQETDEIRDTHVKEYRVAMIFKDKIQEYFKVAIPEIEVIYLTMLIHSIKSLKENKRVGIIVAAHGNSTASSMVEVATELLGSTPIAAVDMPLTVSPSDILECVAEKMKQVDEGEGVLMLVDMGSLAMLESRLEEKTGISIKTISNVTTSMVLDAVRKVNYLNLNLHAIYQSVTKDFIELWERQPAASGKKKALVSICTTGSGTAKKLEDILTTIVNKASDTPIHILTVSSIKLANSIKEIEKEYEILATVGTKDPKINAPHVSLEVLIEGEGEKLIQQAITKGSISLSNGLNEANIIVRELCEDSLKKYLVFLNPHHVIDMLLEWLQTVQDELGVIFNNAVLIKVIMHTAFAFERVIKQNPIAFSEEEEINDQLKEMVYVTERTLAPYEEKLGLRISDDEKLFIAAIFAEEVHGQLF 1NY5 Chain:A ((1-384)) MNVLVIEDDKVFRGLLEEYLSMKGIKVESAERGKEAYKLLSEKHFNVVLLDL-LLPDVNGLEILKWIKERSPETEVIV--ITGHGTIKTAVEAMKMGAYDFLTKPCMLEEIELTINKAIEHRKLRKENELLRREKDLKEEEY-VFESPKMKEILEKIKKIS---CAECPVLITGESGVGKEVVARLIHKLSD-----RSKEPFVALNVASI--PRDIFEAELFGYEKGAFTGAVSSKEGFFELADGGTLFLDEIGELSLEAQAKLLRVIESGKFYRLG-GRKEIEVNVRILAATNRNIKELVKEGKFREDLYYRLGVIEIEIPPLRERKEDIIPLANHFLKKFSRKYAKEVEGFTKSAQELLLSYPWYGNVRELKNVIERAVLFSEGKFIDRGELSCLV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1NY5.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 : 1534 92312 60.18 264.50 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 60.18 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.388

(partial model without unconserved sides chains): PDB file : Tito_1NY5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NY5-query.scw PDB file : Tito_Scwrl_1NY5.pdb: