Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRLHYAWIIVSVTFLILLAVQGVRLSFGAFVEPWERQFSIDRSTISLISTVSFIVYGISQPVIGRLVDKWGARAVLAWSALLTGVSIFLTYLV---TSPWQLFLLYGLGVSLGVGGASNVAASVLVVNWF-SKKRGLAFGIMEAGFGAGQMLLVPGSLMLI--HWFSWKLTVVVLGLLLIVIVFPAALLMLRNNPSEKNT--EPIGGLAA----------SEKE-T----A----PKTTALSVAGMFRMRQFWFLIFPFLIC----GFTTVGLMDTHLIPFSHDHGFSTTVTSAAVSLLAGFNIAGILLSGIVADRWSSRKILCILYAVRALSIVILIYS-----HEP----YLLLAFAILFGLVDFATVAPTQMLATQYFQNYSIGLMIGWLSLAHQIGSALGAYVPGVIYTVTGEYTLAFYLSIGMLVLASVM-NVMLREPAAVTRDSAAVVDK 4PYP Chain:A ((63-455)) -------------------------------------------TLWSLSVAIFSVGGMIGSFSVGLFVNRFGRRNSMLMMNLLAFVSAVLMGFSKLGKSFEMLILGR-FIIGVYCGLT-TGFVPMYVGEVSPTALRGALGTLHQLGIVVGILIAQVFGLDSIMGNKDLWPLLLSIIFIPA-LLQCIV-LPFCPESPRFLLINRNEENRAKSVLKKLRGTADVTHDLQEMKEESRQMMREKKVTILELFRSPAYRQPILIAVVLQLSQQLSGINAVFYYSTSIFEKAGVQ--QPVYATIGSGIVNTAFTVVSLFVVQRAGRRTLHLIGLAGMAGCAILMTIALALLEQLPWMSYLSIVAIFGFVAFFEVGPGPIPWFIVAELFSQGPRPAAIAVAGFSNWTSNFIVGMCFQYVEQLCGP--YVFIIFTVLLVLFFIFTYFKVPET-------------

General information: TITO was launched using: RESULT: Template: 4PYP.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 : 1551 -275533 -177.65 -782.76 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -177.65 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.280

(partial model without unconserved sides chains): PDB file : Tito_4PYP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PYP-query.scw PDB file : Tito_Scwrl_4PYP.pdb: