Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEALTEQKSQKWAISLF-TIGVFMAALDNGIISAALTTINESF------SVSPSWGSWGITL--YTLGLSVSVPIVGKLSDRYGRKKLFLIEVCLFGLGSLLVALSQSFPLFLISRLIQALGGGGIFIIGSSHILATLPKEKQGKALGLLGAMNGMAAVLGPNIGSFLLDWTGSWHWLFLINLPIAVLLVVFGACFIAETKAPEAKRLDAAGIFLLSLSILAVMYGMTNLDGANLLHSLGNPEVYGCIIFGILCFAALISYEKRVEMRGGDPILAYSLLRNHMFQRTLIIGLLSGGLLAAVIFIPSYVEQYLGVPAAKAGYWMTPLALASGIGAWLGGALTDKKGPVKTVILSGIISCAGFALFPLWVTEKWEFVIASVAAGIGFGFLLGAPLNVLVSEAAKTNKGTALGTLSLVRQIGLTLAPTLYAGFITAGFDQIGDEINSRLSDSGYSEKAMQMIPEIDSSEVSSLQEQIERIPVPEVKTAISDAIHASVASGYDHLYAAAAVVSLLVIAAISIPAFRRQKR 4QIQ Chain:A ((7-470)) ---------SYIFSITLVATLGGLLFGYDTAVISGTVESLNTVFVAPQNLSESAANSLLGFCVASALIGCIIGGALGGYCSNRFGRRDSLKIAAVLFFISGVGSAWPE-------------LGFTSINPDNTVPVYLAGYVPEFVIYRIIGGIGVGLASMLSPMYIAEL----------------------------APAHIRGKLVSFNQFAIIFGQLLVYCVNYFIARSGDASWLNTDGWRYMFASECIPALLFLMLLYTVPESPRWLMTLATQAVQEIKHSLDRL----LMFGVGVIVIGVMLSIFQQFVGI---NVVLYYAPEVFKT-----LGA---STDIALLQTIIVGVINLT-FTVLAIMTVDKFGRKPLQIIGALGMAIGMFSLGTAFYTQAP--GIVALLSMLFYVAAFAMSWGP----------------VCWVLLSEIFPNAIRGKALAIAVAAQWLANYFVSWTFPMMDKNSWLVAHFH----NGFSYWIYGCMGVLAALFMWKFVPETKGKTL

General information: TITO was launched using: RESULT: Template: 4QIQ.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 : 2001 -278404 -139.13 -647.45 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -139.13 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.251

(partial model without unconserved sides chains): PDB file : Tito_4QIQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4QIQ-query.scw PDB file : Tito_Scwrl_4QIQ.pdb: