Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 2MKX Chain:A ((6-47)) ---YTVKSGDTLNKIAAQYGVSVANLRSWNG--ISGDLIFVGQKLIV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2MKX.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 : 136 -18149 -133.44 -432.11 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -133.44 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.763

(partial model without unconserved sides chains): PDB file : Tito_2MKX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2MKX-query.scw PDB file : Tito_Scwrl_2MKX.pdb: