Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 4S3J Chain:A ((57-100)) -----VQPGDSLYRISQTYNVPLASLAKVN-NLSLKSILHVGQQLYVP---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4S3J.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 : 124 -19211 -154.92 -457.39 target 2D structure prediction score : 0.88 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -154.92 2D Compatibility (Sec. Struct. Predict.) : 0.88 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.777

(partial model without unconserved sides chains): PDB file : Tito_4S3J.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4S3J-query.scw PDB file : Tito_Scwrl_4S3J.pdb: