Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHMLIAGGGIGGLSAAISLRKAGFS-VTLCEAASENRKTGAGI-LQPQNALAVLKELGVFEDCCKHGFQTEWFKTFDEQGNLLFQVSESFLDDSLPGRNNILRKTLNDILMKHA-EAVGVD-IKWGKKVVAYEETAESVTALCEDG----EKMQADILAGFDGIHSVVRDKMLQKETEKEHLGMGAWRFYIELPDYTFEDATFMYRSGD--TQIGVVPL-AQHAG-------YVFVLQPCTSDYWDEED--TRFDRVKEILSGFRGLD---FVTKHMSKQHPVIFNKLEQVAVQEP-WHKGRVIIGGDAAHAGAPTLAQGAAMAIEDAIVLAEELQNHADHETALQAYYKRRAPRALKVQNLSSEIVRRRLKGEPGAEELIGECYAVLREGY 2RGJ Chain:A ((7-361)) ---ILIAGAGIGGLSCALALHQAGIGKVTLLESSSEIRPLGVGINIQPA-AVEALAELGLGPALAATAIPTHELRYIDQSGATVWSEPRGVEAGNAYPQYSIHRGELQMILLAAVRERLGQQAVRTGLGVERIEERDGRVLIGARDGHGKPQALGADVLVGADGIHSAVRAHLHPDQRPLSHGGITMWRGVTEF-DRFLDGKTMIVANDEHWSRLVAYPISARHAAEGKSLVNWVCMVPSAAVGQLDNEADWNRDGRLEDVLPFFADWDLGWFDIRDLLTRNQLILQYPMVDRDPLPHWGRGRITLLGDAAHLMYPMGANGASQAILDGIELAAALARNADVAAALREYEEARRPTANKI---------------------------------

General information: TITO was launched using: RESULT: Template: 2RGJ.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 : 1882 -199974 -106.26 -604.15 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -106.26 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.407

(partial model without unconserved sides chains): PDB file : Tito_2RGJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RGJ-query.scw PDB file : Tito_Scwrl_2RGJ.pdb: