Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 4S3K Chain:A ((6-55)) --IYTVKAGDSIYSIAKQFRIDAGKIIRANE-LPNPNQLVIGQSMVIPI--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4S3K.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 : 143 -24281 -169.79 -527.84 target 2D structure prediction score : 0.89 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -169.79 2D Compatibility (Sec. Struct. Predict.) : 0.89 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.824

(partial model without unconserved sides chains): PDB file : Tito_4S3K.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S3K-query.scw PDB file : Tito_Scwrl_4S3K.pdb: