Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVLQELTKKKYSSLKTMFDDKYCPTFVYSILDQTIPGAVYADDQTFPKSFFIGTESGIYFIAGDQGNRDFHDFIAGYYEEQVKSSKRFTLFSSSDTWDSVLKPILKDDLNQMRRAAFSYQPKSFKKTLQLPKGLVLKRIDEDIISHSTAFNSAYYEEYWNSVSQFASKGFGFAVLHGNHVVSECTSIFLGH-------NRAEM-DIYTLEEYRGLGLAYCVANRFIAFCMENGIVPSW-DCDICNNSSIALAAKLGFKTVTEYTIYYSG 4E2A Chain:A ((61-158)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------ETYFILMSGKAAGFLKVNWGSSQTEQVLEDAFEIQRLYILKAYQGLGLGKQLFEFALERAQISGLSWVWLGVWEKNVKAQLLYAKYGFEQFSKHSFFV--

General information: TITO was launched using: RESULT: Template: 4E2A.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 : 248 -54350 -219.15 -610.67 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -219.15 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.430

(partial model without unconserved sides chains): PDB file : Tito_4E2A.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4E2A-query.scw PDB file : Tito_Scwrl_4E2A.pdb: