Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMDLFLNRKSFVVKSLAITVTALMMSGANAATSDKEEIRKLRQEVEALKALVQEQRQVQQQQQQVQQQQQVQLAEVKAQPQPAAAPASPLASLKSKTGADVNLYGFVRGDANYIIEGADNDFADVSKSNGKTQDKLRATAKTTRLGLDFTAPV-SGAKVGGKIELDFASSDNDKSENVRIRHAYLTY----NNWLFGQTTSNFLS-SHA-PE--MIDFSTN--IGGGTTRIPQVRYNYKLAPATQLFVSAEEGNSSATGDSVKYRLPVLTAKVTQGYADGNGNASARAFVENYKSG----AGDDKTGWGIAAGTDFKVSDPLKLFADASYVVGNSNYLYGSNSAYTLVNDNIEQNEFVAVQVGGTYKILPNLRSTLAYGAQFADDGTDYAKNNVTANEKVQQAWINFIYTPVKPIDLGVEYVNGKRDTFEGKSYKDNRVGLMAKYSF 3WI5 Chain:A ((1-312)) ---------------------------------------------------------------------------------------------------DVTLYGTIKAGVETSRSVFHQNG---Q--VTEVTTATGIVDLGSKIGFKGQEDLGNGLKAIWQVEQKASIAGT--DSGWGNRQSFIGLKGGFGKLRVGRLNSVLKDTGDINPWDSKSDYLGVNKIAEPEARLISVRYDSPEFAGLSGSVQYALNDNAG-----RHNSESYHAGFNYKN--GGFFVQYGGAYKRHHQVQEGLNIEKYQIHR--LVSGYDNDA-LYASVAVQQQDAKLTDA------------SNSHNSQTEVAATLAYRFG-NVTPRVSYAHGFKGLVAKA-----DIGNRYDQVVVGAEYDFSKRTSALVSAGWLQEGKGE-NKFVATAGGVGLRHKF

General information: TITO was launched using: RESULT: Template: 3WI5.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 : 1508 69912 46.36 235.39 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 46.36 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.091

(partial model without unconserved sides chains): PDB file : Tito_3WI5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WI5-query.scw PDB file : Tito_Scwrl_3WI5.pdb: