Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MYDQLQAIEDRYEELGELLSDPEVISDTKRFMQLSKEEANTRETVEVYRRYKEVVQGITDTEELLGEKLDDEMAELAKEELSELKKEKEVLEEKIKILLLPKDPNDDKNIIMEIRGAAGGDEAALFAGDLFNMYQKYAEAQGWKTEVMEANVTGIGGYKEVIMMITGDNVYSKLKYESGAHRVQRVPSTESQGRIHTSTATVVVMPEAEEVEI-DIEDKDIRTDIYHASGAGGQHVNKTASAVRLTHLPTGIVVAMQDERSQIKNREKAMKILRARVYDKIQQEAQSEYDANRKSAVGTGDRSERIRTYNFPQNRVTDHRIGLTIQKLDQILAGKLDEIVDALIMYDQTSKLEAMQNG 2B3T Chain:B ((8-354)) ---KLEALHERHEEVQALLGDAQTIADQERFRALSREYAQLSDVSRCFTDWQQV--------------------------------------QQLQVLLLPKDPDDERNAFLEVRAGTGGDEAALFAGDLFRMYSRYAEARRWRVEIMSASEGEHGGYKEIIAKISGDGVYGRLKFESGGHRVQRVPATESQGRIHTSACTVAVMPELPDAELPDVNPADLRIDTFRSSGAGGQHVNTTDSAIRITHLPTGIVVECQDERSQHKNKAKALSVLGARIHAAEMAKRQ------RRN-------SDRNRTYNFPQGRVTDHRINLTLYRLDEVMEGKLDMLIEPIIQEHQADQLA-----

General information: TITO was launched using: RESULT: Template: 2B3T.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 : 1279 -20265 -15.84 -68.00 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.83 3D Compatibility (PKB) : -15.84 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.83 QMean score : 0.347

(partial model without unconserved sides chains): PDB file : Tito_2B3T.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2B3T-query.scw PDB file : Tito_Scwrl_2B3T.pdb: