Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---------------------------------------------------------------------MQEDIDAGKVSGTKIITHTQIRQELQ--SKVDVAQARFDANPSKKNKDKLADAQKDLSHAIRDGEC--LIKGC--VPSEYLKK---------------------------------------------------------------------- 5DA1 Chain:A ((2-223)) SSSPLPKVAHNLGFYFSPDLTQFAKLPAELAPHWPVVTTQNNERWPDRLVASLRPIHKYSRACIGAGYMVGPSVFLGTPGVVSYYLTKFVRGEAQVLPETVFSTGRIEVDCREYLDDRERVVAESLPHAFIGDVKGTTVGGCHHVTSKYLPRFLPKESVAVVGVSSPGKAAKAVCTLTDVYLPDLEAYLHPETQSRCWKVMLDFKEVRLMVWKDKTAYFQLE

General information: TITO was launched using: RESULT: Template: 5DA1.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 : 294 22076 75.09 286.69 target 2D structure prediction score : 0.47 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : 75.09 2D Compatibility (Sec. Struct. Predict.) : 0.47 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.232

(partial model without unconserved sides chains): PDB file : Tito_5DA1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5DA1-query.scw PDB file : Tito_Scwrl_5DA1.pdb: