Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 4A1K Chain:A ((3-48)) -LTYQVKQGDTLNSIAADFRISTAALLQANP-SLQA-GLTAGQSIVIPG--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4A1K.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 : 138 -22235 -161.12 -483.36 target 2D structure prediction score : 0.87 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -161.12 2D Compatibility (Sec. Struct. Predict.) : 0.87 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.802

(partial model without unconserved sides chains): PDB file : Tito_4A1K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4A1K-query.scw PDB file : Tito_Scwrl_4A1K.pdb: