Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNRMILNETSYFGKGAIESIVPEFQQRGFGKAAVITDKGLIEHGIATKVTELLDKAAIAYALYDGIVPNPTIQNVKDGVAFVKEAEADCLIAIGGGSPIDTAKAIGIILTNPEFSDVISLEGVADTKNPCLPILAIPTTSGTAAEVTINYVITDEVNHRKFVCVDPHDIPIVAFIDSDMMMGMPKKLAASTGMDAMTHAIEGFITKGAWEMTDMLHLKAIEIIGHSLEVSVDGDQNGREKMALGQYIAGMGFSNVGLGLVHGMAHPLSAWYNIPHGVACAALLPTVMKYNKEYTGEKYREIALVLGIKGAAEMSLEDVREAACGEIDRLSKAVGIPETISELGVKEADIPAIAEDALRDVCTPGNPRETTVEEIIALYQSLM 5BR4 Chain:A ((2-381)) MANRMILNETAWFGRGAVGALTDEVKRRGYQKALIVTDKTLVQCGVVAKVTDKMDAAGLAWAIYDGVVPNPTITVVKEGLGVFQNSGADYLIAIGGGSPQDTCKAIGIISNNPEFADVRSLEGLSPTNKPSVPILAIPTTAGTAAEVTINYVITDEEKRRKFVCVDPHDIPQVAFIDADMMDGCPPALKAATGVDALTHAIEGYITRGAWALTDALHIKAIEIIAGALRGSVAGDKDAGEEMALGQYVAGMGFSNVGLGLVHGMAHPLGAFYNTPHGVANAILLPHVMRYNADFTGEKYRDIARVMGVK-VEGMSLEEARNAAVEAVFALNRDVGIPPHLRDVGVRKEDIPALAQAALDDVCTGGNPREATLEDIVELYHT--

General information: TITO was launched using: RESULT: Template: 5BR4.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 : 2429 -266627 -109.77 -701.65 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.91 3D Compatibility (PKB) : -109.77 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.610

(partial model without unconserved sides chains): PDB file : Tito_5BR4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BR4-query.scw PDB file : Tito_Scwrl_5BR4.pdb: