Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNKNIGCWLLLAGSSSVCAMQPLDDQSLAAATGQNGLTLGIQADQVKFNQVALIDTNGIASTSYNSKAGLIIAGNSTNPVPGIEFIKAAVSTNPSFNIAI----------DTDAGGGNPFLNLAVTMGSDVNGIRLLPFSVYLAPSTSLPSPSDYALTSYAPKSIFSSGTTVNTGVKELIRSTGNLDINFVQTNKPRLNIQLGHAAQSVMVKFGGAIQSICSAASGCPITLVSDNTGATFGFKFAGTNASTGFVLDGFYAGVDPTGLTIGNIGVSSKFDASLNNVTLGNLGTQSTTTFNNLPNGSMGSFGVTGASVTDFKMKVSGF 3GD5 Chain:A ((28-133)) ---------------------------------------------------------HALLTLAHQLKRGERVA-NLHGKVLGLVFLKASTRTRVSFTVAMYQLGGQVIDL-------EPVRDTARVLGRYVDGLAIRTFA-----QTELEEYAHYA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GD5.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 : 198 -5641 -28.49 -73.25 target 2D structure prediction score : 0.25 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -28.49 2D Compatibility (Sec. Struct. Predict.) : 0.25 1D Compatibility (Hydrophobicity) : 0.53 QMean score : -0.030

(partial model without unconserved sides chains): PDB file : Tito_3GD5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GD5-query.scw PDB file : Tito_Scwrl_3GD5.pdb: