Table 2 Quality assessment of structural models generated by Modeller using Dope Score and Procheck analysis

From: A pathogenic mutation in α-SNAP impairs membrane lipid binding by concealing a critical hydrophobic loop

Model

Dope score (smaller, better)

Procheck ABL (most favored regions - %)

Procheck (disallowed regions - %)

1

−30,223

90.7

0.7

2

−30,488

93.2

0.7

3

−30,185

91.4

1.1

4

−30,759

91.8

0.4

5

−30,152

90.3

1.4

6

−30,310

91.0

0.4

7

−30,414

92.1

0.7

8

−30,430

89.2

1.1

9

−30,397

90.3

0.0

10

−30,361

90.0

1.4

  1. Model 9 (highlighted in bold) was selected as the optimal structure for subsequent molecular dynamics simulations, as it exhibited no residues in disallowed regions of the Ramachandran plot (0.0%) while maintaining favorable DOPE Score (−30,397) and showed residues in most favored regions above 90% (90.3%).
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