Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSVKMKKCSREDLQTLQQLSIETFNDTFKEQNSPENMKAYLESAFNTEQLEKELSNMSSQFFFIYFDHEIAGYVKVNIDDAQSEEMGAESLEIERIYIKNSFQKHGLGKHLLNKAIEIALERNKKNIWLGVWEKNENAIAFYKKMGFVQTGAHSFYMGDEEQTDLIMAKTLI 3FNC Chain:A ((4-146)) MDFHIRKATNSDAEAIQHVATTSWHHTYQDLIPSDVQDDFLKRFYNVETLHNRIS--ATPFAVLEQADKVIGFANFIELE-------KGKSELAAFYLLPEVTQRGLGTELLEVGMTLFHV--PLPMFVNVEKGNETAIHFYKAKGFVQVEEFT------------------

General information: TITO was launched using: RESULT: Template: 3FNC.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 : 582 -80963 -139.11 -566.17 target 2D structure prediction score : 0.76 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -139.11 2D Compatibility (Sec. Struct. Predict.) : 0.76 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.608

(partial model without unconserved sides chains): PDB file : Tito_3FNC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FNC-query.scw PDB file : Tito_Scwrl_3FNC.pdb: