Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHETPLYTGLKKHASRQPVQFHIPGHKKG-------AGMDPEFRQFIGENALSIDLINIE-PLDDLHAPKGIIKQAQDLAAEAFGADHTFFSVQGTSGAIMTMVMAVCGPGDKIIIPRNVHKSIM-TAIVFSGAVPIFIHPEIDNELGISHGIT----LESAKRALTEHPDAKGLLVINP---------TYFGVAADLKSIVE-LAHSFDVPVLVDEAHGVHIHF----HDELPLSAMQAGAD----IAATSVHKLGGSLTQSSILNMREG-------LVSKDRVQSILSMLTTTSTSYLLLASLDV-----------------------ARKRLATEGRQLAEETLKLAN-------QTRDRLNQIE------GIYCVGSEILGSKAAYSYDPTKLIISV----------KSLGLTGHDVEKWLRESFNIEVELSDLYNILCIFTPGDSQNDADRLVEALTEIAQQMSEQDV---------------------------------------THQQTEVL---LPEIPLLAMTPRDAFYAN-TEVIPLKEASGRIIAEFVMVYPPGIPIFIPGEIITEENISYIFKNLDAGLPVQGPEDSTLHMIRVIKEQKAIQ 1C4K Chain:A ((109-681)) ------PFFKSLKEYVSRYLIQFDCPGHQGGQYYRKHPAGR--EFYDFFGETVFRADLCNADVALGDLLIHEGPAVAAEKHAARVYNADKTYFVLGGSSNANNTVTSALVSNGDLVLFDRNNHKSVYNSALAMAGGRPVYLQTN-RNPYGFIGGIYDSDFDEKKIRELAAKVDPERAKWKRPFRLAVIQLGTYDGTIYNAHEVVKRIGHLCDY-IEFDSAWVGYEQFIPMMRNSSPLLIDDLGPEDPGIIVVQSVHKQQAGFSQTSQIHKKDSHIKGQLRYCDHKHFNNSFNLFMSTSPFYPMYAALDVNAAMQEGEAGRKLWHDLLITTIEARKKLIKAGSMFRPFVPPVVNGKKWEDGDTEDMANNIDYWRFEKGAKWHAYEGYGDNQYYV-DPNKFMLTTPGINPETGDYEDFGVPATIVANYLRDH-GIIPEKSDLNSILFLMTPAETPAKMNNLITQLLQL-QRLIEEDAPLKQVLPSIYAANEERYNGYTIRELCQELHDFYKNNNTFTYQKRLFLREFFPEQGMLPYEARQEFIRNHNKLVPLNKIEGEIALEGALPYPPGVFCVAPGEKWSETAVKYF-------------------------------

General information: TITO was launched using: RESULT: Template: 1C4K.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 : 2175 -163439 -75.14 -366.46 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -75.14 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_1C4K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1C4K-query.scw PDB file : Tito_Scwrl_1C4K.pdb: