Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAFKNIADQTNGFYIPCVSLFGPGCAKEIGTKAQNLGAKKALIVTDEGLFKFGVADLIASYLTEAGVASHIFPGAEPNPTDINVHNGVNAYNENGCDFIVSLGGGSSHDCAKGIGLVTAGG--GHIRDYEGIDKSKVPMTPLIAVNTTAGTASEMTRFCIITNTDTHVKMAIVDWRCTPLIAIDDPKLMIAKPAGLTAATGMDALTHAVEAYVSTAANPITDACAEKAITMISQWLQPAVANGENIEARDAMSYAQYLAGMAFNNASLGYVHAMAHQLGGFYNLPHGVCNAILLPHVCEFNLIACPDRYAKIAELMGVNTHGLTVTEAAYAAIDAIRKLSSSIGIPSGLTELGVKTEDLAVMAENAQKDACMLTNPRKANHAQVVEIFKAAL 2BL4 Chain:B ((21-391)) ------------------AWFGRGAVGALTDEVKRRGYQKALIVTDKTLVQCGVVAKVTDKMDAAGLAWAIYDGVVPNPTITVVKEGLGVFQNSGADYLIAIGGGSPQDTCKAIGIISNNPEFADVRSLEGLSPTNKPSVPILAIPTTAGTAAEVTINYVITDEEKRRKFVCVDPHDIPQVAFIDADMMDGMPPALKAATGVDALTHAIEGYITRGAWALTDALHIKAIEIIAGALRGSVAGDK--DAGEEMALGQYVAGMGFSNVGLGLVHGMAHPLGAFYNTPHGVANAILLPHVMRYNADFTGEKYRDIARVMGVKVEGMSLEEARNAAVEAVFALNRDVGIPPHLRDVGVRKEDIPALAQAALDDVCTGGNPREATLEDIVELYHTA-

General information: TITO was launched using: RESULT: Template: 2BL4.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2341 -100952 -43.12 -273.58 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -43.12 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_2BL4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2BL4-query.scw PDB file : Tito_Scwrl_2BL4.pdb: