Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRQLQLDIEPQLDARISDFSGPGWGHVVDAVRQLHAGL-VNRFYIYGGAGTGKSHLLSAICDSYLEVGKSAIKVS--LLELL--DAP----IEAITC----LEHYDLVALDDIESISGVPHWQKAVFHLMN--NHEGQLVFSSRVAPIELKLELPDLQSRLTQAVSVKVPSGSLYADRYALVTSVMARRGIHFDQQIVDYLLLHGPHQASVLLQTVAQLEKLLKGEKTKLSNATLRQIYALIDEYQQ 2CHG Chain:A ((14-223)) -------------RTLDEVV-G-QDEVIQRLKGYVERKNIPHLLFSGPPGTGKTATAIALARDLFGENWRDNFIEMNASDERGIDVVRHKIKEFARTAPIGGAPFKIIFLDEADAL--TADAQAALRRTMEMYSKSCRFILSCNYVSRI----IEPIQSRC---AVFRFKPVP-KEAMKKRLLEICEKEGVKITEDGLEALIYISGGDFRKAINALQGAAAIG----EVVDADTIYQIT--------

General information: TITO was launched using: RESULT: Template: 2CHG.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 : 859 -20920 -24.35 -107.28 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -24.35 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.505

(partial model without unconserved sides chains): PDB file : Tito_2CHG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2CHG-query.scw PDB file : Tito_Scwrl_2CHG.pdb: