Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 5C8P Chain:A ((63-103)) -----VQQGDTLRDIGRRFDCDFHEIARRN-NIQNEDLIYPGQVLQV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5C8P.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 : 122 -24231 -198.61 -591.00 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -198.61 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.883

(partial model without unconserved sides chains): PDB file : Tito_5C8P.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C8P-query.scw PDB file : Tito_Scwrl_5C8P.pdb: