Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSQHETPLYTGLKKHASRQPVQFHIPGHKKGAGMD-----PEFRQFIGENALSIDLIN-IEPLDDLHAPKGIIKQAQDLAAEAFGADHTFFSVQGTSGAIMTMVMAVCGPGDKIIIPRNVHKSIMTA-IVFSGAVPIFIHPEIDNELGI----SHGITLESAKRALTEHPDAKG--------LLVINPTYFGVAADLKSIVELAHSFDVPVLVDEAHGVHIHFHDELPL--------SAMQAGADIAATSVHKLGGSLTQSSILNMREGLV-------SKDRVQSILSMLTTTSTSYLLLASLDVARKRLA-TEGRQLAEETLKLANQTRDRLNQIEGIYCV--------------GSEILGSKAA--------------------YSYDPTKLIISVKSL----------GLTGHDVEKWLRESFNIEVELSDLYNILCIFTPGDSQNDADRLVEALTEIAQQMSEQDVTHQQTEVLLPEIPLLAMTPRDAFYANTEVIPLKEASGRIIAEFVMVYPPGIPIFIPGEIITEENISYIFKNLDAGLPVQGPEDSTLHMIRVIKEQKAIQ 1ORD Chain:A ((108-569)) -----PPFFKSLKEYVSRGLIQFDCPGHQGGQYYRKHPAGREFYDFFGETVFRADLCNADVALGDLLIHEGPAVAAEKHAARVYNADKTYFVLGGSSNANNTVTSALVSNGDLVLFDRNNHKSVYNSALAMAGGRPVYLQTNRNPYGFIGGIYDSDFDEKKIRELAAKVDPERAKWKRPFRLAVIQLGTYDGTIYNAHEVVKRIGHLCDYIEFDSAWVGYEQFIPMMRNSSPLLIDDLGPEDPGIIVVQSVHKQQAGFSQTSQIHKKDSHIKGQLRYCDHKHFNNSFNLFMSTSPFYPMYAALDVNAAMQEGEAGRKLWHDLLITTIEARKKLIKAGSMFRPFVPPVVNGKKWEDGDTEDMANNIDYWRFEKGAKWHAYEGYGDNQYYVDPNKFMLTTPGINPETGDYEDFGVPATIVANYLRD-HGIIPEKSDLNSILFLMTPAETPAKMNNLITQLLQLQRLIEED-----------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1ORD.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 : 1955 -166050 -84.94 -433.55 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -84.94 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.431

(partial model without unconserved sides chains): PDB file : Tito_1ORD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1ORD-query.scw PDB file : Tito_Scwrl_1ORD.pdb: