Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 4B8V Chain:A ((119-161)) -----IVSGDTLTNISQDFNITLDSLIAANTQIENPDAIDVGQIITVP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4B8V.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 : 119 -21297 -178.96 -495.27 target 2D structure prediction score : 0.86 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -178.96 2D Compatibility (Sec. Struct. Predict.) : 0.86 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.794

(partial model without unconserved sides chains): PDB file : Tito_4B8V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4B8V-query.scw PDB file : Tito_Scwrl_4B8V.pdb: