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. 2015 Apr 23;11(4):e1004207. doi: 10.1371/journal.pcbi.1004207

Table 2. Simulation results on non-DHFR proteins.

SCOP Length PDB Mutant Real Tm MCPU Eris SDM Native energy
All alpha proteins 66 5CRO Y26D 54.0 0.878 −6.958 −0.690 −2044.4
66 5CRO Y26H 49.5 0.869 −3.425 −0.660 −1908.2
66 5CRO Y26L 46.0 0.868 −3.458 0.300 −1891.8
66 5CRO WT-5CRO 39.5 0.869 0.000 0.000 −1886.0
66 5CRO Y26W 37.5 0.871 −1.200 0.350 −1872.7
All beta proteins 67 1CSP A46E 48.6 1.015 1.203 0.020 −1624.9
67 1CSP E3L 62.7 1.033 2.271 −0.460 −1536.7
67 1CSP E3R 69.6 1.023 1.638 −0.650 −1878.0
67 1CSP E66L 66.4 1.042 2.510 1.320 −1568.1
67 1CSP WT-1CSP 53.6 1.022 0.000 0.000 −1596.3
Alpha and beta proteins (a/b) 109 2TRX D26I 98.0 1.135 2.847 4.290 −2478.5
109 2TRX WT-2TRX 87.0 1.107 0.000 0.000 −2558.4
109 2TRX T66L 85.0 1.124 3.540 2.180 −2552.0
109 2TRX T77V 82.0 1.124 −0.980 1.960 −2541.9
109 2TRX C35A 73.0 1.104 −14.670 −2.040 −2574.7
Alpha and beta proteins (a+b) 125 1RN1 V16A 44.5 0.887 2.033 −1.530 −1934.1
125 1RN1 V16S 36.9 0.876 3.027 −4.410 −1920.1
125 1RN1 V78S 34.6 0.878 3.870 −4.450 −1943.8
125 1RN1 V89S 29.6 0.877 3.414 −4.100 −1904.8
125 1RN1 WT-1RN1 51.5 0.899 0.000 0.000 −1929.7
Error number 5 7 8 7
Error rate 0.313 0.438 0.500 0.438
r 0.708 −0.053 0.635 −0.348

Error number and error rate describe the number and fraction of mutations not predicted in the correct direction (stabilizing vs. destabilizing)