Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLAIASALLSALAVSGAANAYQAEVGGSYNYLDPDNGSSVSKFGVDGTYYFNPVQTRNAPLAEAAFLNRASNVNAHVNYGDNSGTKDTQYGVGVEYFVPNSDFYLSGDVGRNEREIDNTNIDSKVTTYAAEVGYLPAPGLLLA--LGVKGYDEKD---GKD-GADPTVRAKYVTQVGQHDVNLEAYGAF------------GDLDEYKVRGDYYIDKTLSLGVDYYNNDL--------T-DKDEFGINAKKFLNQQVSVEGRVGFGD--------NDNTYGVRAAYRF 3WI5 Chain:A ((138-312)) --------------------------------------------------------------------------------------------------------LSGSVQYALNDNAG-----RHNSESYHAGFNYKN-GGFFVQYGGAYKRHHQVQEGLNIEKYQIHRLVSGYD--NDA--LYASVAVQQQDAKLTDASNSHNSQTEVAATLAYRFG-NVTPRVSYAHGFKGLVAKADIGNRYDQVVVGAEYDFSKRTSALVSAGWLQEGKGENKFVATAGGVGLRHKF

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 : 588 22144 37.66 158.17 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : 37.66 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.131

(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: