Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 4UZ3 Chain:B ((51-96)) -RTHVVAPGDTLFSLARRYGTTVEALMRLNG-LSSPE-IKVGQVLRLPE--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4UZ3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 144 -20404 -141.69 -443.55 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -141.69 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.868

(partial model without unconserved sides chains): PDB file : Tito_4UZ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4UZ3-query.scw PDB file : Tito_Scwrl_4UZ3.pdb: