Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEKLQKVLARIGLGSRRYMEEVIAAGRVSVNGRVAQVGERIEPGDELRIDGRKVQFQIEDEIRRRVLIYYKPEGEICSRNDPE-KRPTVFDHLPQIANDRWVMVGRLDINSTGLLLFTNDGELANRLMH--PSNEIEREYAVRVMGEVTPQ--LRQN-MVN--------GVELEDG---PAKFESFSEIGGEGINRWYQVVVKEGRNREVRRIFESQGLKVSRLLRTRYGTVILPRELRTGRWMELDKTDIDNLAKSVELKPRQGTGLFGMAKRRTERMTEKPMAARRGGYLRQQRRDDEKEAPANTGNQRKSTGFNRGFKKF 2I82 Chain:D ((11-216)) -----------------------------------------------------WLVILYQD---DHIMVVNKPSGLLSVPGRLEEHKDSVMTRIQR-DYPQAESVHRLDMATSGVIVVALTKAAERELKRQFREREPKKQYVARVWGHPSPAEGLVDLPLICDWPNRPKQKVCYETGKPAQTEYEVVEYA--ADNTARVVLKPITGRSHQLRVHMLALGHPIL--GDRFYASPEAR-----------------AMAPRLLLHAEMLTITHPAYGNSMTFKAPAD----------------------------------------

General information: TITO was launched using: RESULT: Template: 2I82.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 952 -16792 -17.64 -88.85 target 2D structure prediction score : 0.50 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : -17.64 2D Compatibility (Sec. Struct. Predict.) : 0.50 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.333

(partial model without unconserved sides chains): PDB file : Tito_2I82.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2I82-query.scw PDB file : Tito_Scwrl_2I82.pdb: