Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLISLPKQILQCGQLQLDLSQPH-VMGILNVTPDSFSDGGKHNQLDQAVDHALSMIEQGATIIDIGGESTRPGASEVAVEEEVRRVVPVVEALSHH-NVILSIDTSQPEVIRAAKAAGAHIWNDV-RALTGPNALKTAVELDIPVVIMHMRGEPTTMNQLDQYTDVTLDVMQELQQRIDEALAAGVKKHNIIVDPGFGFAKNAQQNLKLLKEFWKLNELGYPILSGLSRKRFIGEALQGAPADQRAVGSVTGHLLSIQQGASIVRAHDVKEMHEAILVWKAMQQA 4D8A Chain:B ((27-291)) ----------LRCGEYTLNLNEKTLIMGILN----------SYNEVDAAVRHAKEMRDEGAHIIDIG-----------SVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAHIINDIWGAKAEPKIAEVAAHYDVPIILMHNR---DNMN----YRNLMADMIADLYDSIKIAKDAGVRDENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLD-LPVEERLEGTGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAM---

General information: TITO was launched using: RESULT: Template: 4D8A.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 : 1384 -7358 -5.32 -30.53 target 2D structure prediction score : 0.75 Monomeric hydrophicity matching model chain B : 0.80 3D Compatibility (PKB) : -5.32 2D Compatibility (Sec. Struct. Predict.) : 0.75 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_4D8A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D8A-query.scw PDB file : Tito_Scwrl_4D8A.pdb: