Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKIHIVQKGDSLWKIAEKYGVDVEEVKKLNTQLSNPDLIMPGMKIKVPSEGVPVRKEPKAGKSPAAGSVKQEHPYAKEKPKSVVDVEDTKPKEKKSMPYVPPMPNLQENVYPEADVNDYYDMKQLFQPWSPPKPEEPKKHHDGNMDHMYHMQDQFPQQEAMSNMENANYPNMPNMPKAPEVGGIEEENVHHTVPNMPMPAVQPYYHYPAHFVPCPVPVSPILPGSGLCYPYYPAQAYPMHPMHGYQPGFVSPQYDPGYENQHHENSHHGHYGSYGAPQYASPAYGSPYGHMPYGPYYGTPQVMGAYQPAAAHGYMPYKDHDDCGCDGDHQPYFSAPGHSGMGAYGSPNMPYGTANPNPNPYSAGVSMPMTNQPSVNQMFGRPEEENE 5C8Q Chain:B ((63-103)) -----VQQGDTLRDIGRRFDCDFHEIARRN-NIQNEDLIYPGQVLQV----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5C8Q.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 : 112 -22098 -197.30 -538.98 target 2D structure prediction score : 0.83 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -197.30 2D Compatibility (Sec. Struct. Predict.) : 0.83 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.901

(partial model without unconserved sides chains): PDB file : Tito_5C8Q.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5C8Q-query.scw PDB file : Tito_Scwrl_5C8Q.pdb: