Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNVVIIGAGMGGLTTGIALKKFGHQVRIFEQTEKILPVGAAISLWSNGVKCLNYLGLTEKIAKLGGQMDDLAYVDGLTGDVMTQFSLRPLIEEVGQRPYPVARADLQNMLMDEFGRDQIYLGKKMVGLEDKADFVEVHFADGSSTQADLLIGADGTHSMTRAYVLGQQVQRRYAGYVNWNGLVEISEDLAPAQQWTTYVGEGKRASLMPVADGRFYFFLDVPLPAGLENNRDEYKKLLKQYFADWCQPVQQLIERLDPQKTNRVEIHDIEPFTQFYKGCVVILGDAAHSTTPDIGQGGCQAMEDAIYLARSLQINTLGLEDALRRYQNKRNERANELVLRARKRCDVTHMKDETVTQAWYAELRREQGGHIMQGIISNIVGNPLD 3RP6 Chain:A ((24-407)) MKAIVIGAGIGGLSAAVALKQSGIDCDVYEAVKEIK---AAISVWPNGVKCMAHLGMGDIMETFGGPLRRMAYRDFRSGENMTQFSLAPLIERTGSRPCPVSRAELQREMLDYWGRDSVQFGKRVTRCEEDADGVTVWFTDGSSASGDLLIAADGSHSALRPWVLGFTPQRRYAGYVNWNGLVEIDEALAPGDQWTTFVGEGKRVSLMPVSAGRFYFFFDVPLPAGLAEDRDTLRADLSRYFAGWAPPVQKLIAALDPQTTNRIEIHDIEPFSRLVRGRVALLGDAGHSTTPDIGQGGCAAMEDAVVLGAVFRQTR-DIAAALREYEAQRCDRVRDLVLKARKRCDITHGKDMQLTEAWYQELREETGERIINGMCDTILSGPLG

General information: TITO was launched using: RESULT: Template: 3RP6.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 : 2267 -221804 -97.84 -582.16 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : -97.84 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.497

(partial model without unconserved sides chains): PDB file : Tito_3RP6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3RP6-query.scw PDB file : Tito_Scwrl_3RP6.pdb: