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DDDGun3D.Mlog
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DDDGun3D.Mlog
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# Current Positives|Negatives threshold (thr) is 0 (ddG >= 0 are not-destabilizing [positives] and ddG < 0 are destabilizing [negatives]).
aa S D T TP avg err FP TN avg err FN P N SEN SPE PPV NPV ACC accn RMSE MAE PCC Sc Ob1 Ob2 MCC
X 89 253 342 46 0.7 0.5 63 190 -1.6 0.9 43 109 233 0.517 0.751 0.422 0.815 0.690 0.634 1.416 1.026 0.552 62.9 36.3 0.9 0.25
A 20 77 97 13 1.2 0.8 16 61 -2.0 1.0 7 29 68 0.650 0.792 0.448 0.897 0.763 0.721 1.548 1.196 0.653 60.8 39.2 0.0 0.39
V 26 80 106 11 0.5 0.3 21 59 -1.3 0.9 15 32 74 0.423 0.738 0.344 0.797 0.660 0.580 1.265 0.883 0.510 68.9 31.1 0.0 0.15
I 10 58 68 8 0.6 0.4 11 47 -1.7 0.8 2 19 49 0.800 0.810 0.421 0.959 0.809 0.805 0.967 0.788 0.766 72.1 27.9 0.0 0.48
L 10 31 41 7 0.6 0.4 10 21 -1.8 1.0 3 17 24 0.700 0.677 0.412 0.875 0.683 0.689 1.492 1.013 0.583 70.7 29.3 0.0 0.33
M 7 32 39 5 0.5 0.3 7 25 -1.3 0.7 2 12 27 0.714 0.781 0.417 0.926 0.769 0.748 1.208 0.854 0.345 61.5 38.5 0.0 0.41
F 7 28 35 5 0.4 0.3 9 19 -1.4 0.9 2 14 21 0.714 0.679 0.357 0.905 0.686 0.696 1.467 1.024 0.548 65.7 34.3 0.0 0.32
W 0 3 3 0 0.0 0.0 3 0 0.0 0.0 0 3 0 0.000 0.000 0.000 0.000 0.000 0.000 4.377 4.189 -0.851 0.0 66.7 33.3 0.00
Y 2 17 19 1 0.2 0.1 8 9 -1.9 0.8 1 9 10 0.500 0.529 0.111 0.900 0.526 0.515 1.931 1.230 0.578 63.2 26.3 10.5 0.02
R 3 17 20 2 0.2 0.2 6 11 -1.6 1.2 1 8 12 0.667 0.647 0.250 0.917 0.650 0.657 2.356 1.736 -0.199 50.0 45.0 5.0 0.23
H 4 2 6 2 1.2 1.1 1 1 -2.1 2.1 2 3 3 0.500 0.500 0.667 0.333 0.500 0.500 1.862 1.544 -0.019 33.3 66.7 0.0 0.00
K 7 10 17 4 0.8 0.8 5 5 -2.5 1.4 3 9 8 0.571 0.500 0.444 0.625 0.529 0.536 1.388 1.008 0.870 76.5 23.5 0.0 0.07
D 16 12 28 4 2.7 2.4 4 8 -1.3 0.9 12 8 20 0.250 0.667 0.500 0.400 0.429 0.458 1.513 1.281 0.441 50.0 50.0 0.0 -0.09
E 8 8 16 3 0.3 0.3 2 6 -0.9 0.8 5 5 11 0.375 0.750 0.600 0.545 0.562 0.562 0.720 0.600 0.481 75.0 25.0 0.0 0.13
S 15 30 45 11 0.4 0.3 2 28 -1.2 0.9 4 13 32 0.733 0.933 0.846 0.875 0.867 0.833 1.097 0.766 0.587 68.9 31.1 0.0 0.69
T 13 40 53 9 0.5 0.4 8 32 -1.5 1.0 4 17 36 0.692 0.800 0.529 0.889 0.774 0.746 1.110 0.933 0.618 49.1 50.9 0.0 0.45
N 11 13 24 1 0.9 0.8 3 10 -1.4 0.9 10 4 20 0.091 0.769 0.250 0.500 0.458 0.430 1.344 1.001 0.472 62.5 37.5 0.0 -0.19
Q 3 6 9 1 0.2 0.3 1 5 -0.8 0.4 2 2 7 0.333 0.833 0.500 0.714 0.667 0.583 0.795 0.626 0.218 66.7 33.3 0.0 0.19
C 2 12 14 0 0.0 0.0 4 8 -2.0 1.1 2 4 10 0.000 0.667 0.000 0.800 0.571 0.333 2.086 1.657 0.120 28.6 57.1 14.3 -0.26
G 7 23 30 4 0.7 0.7 4 19 -2.1 1.2 3 8 22 0.571 0.826 0.500 0.864 0.767 0.699 1.415 1.108 0.717 63.3 36.7 0.0 0.38
P 7 7 14 1 1.1 1.0 1 6 -1.4 1.0 6 2 12 0.143 0.857 0.500 0.500 0.500 0.500 1.395 1.092 0.367 64.3 35.7 0.0 0.00
p 0 0 0 0 0.0 0.0 0 0 0.0 0.0 0 0 0 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.0 0.0 0.0 0.00
sb 8 7 15 7 0.8 0.5 7 0 0.0 0.0 1 14 1 0.875 0.000 0.500 0.000 0.467 0.438 2.281 1.673 0.369 53.3 33.3 13.3 -0.25
bs 4 36 40 2 1.0 0.9 3 33 -3.0 1.3 2 5 35 0.500 0.917 0.400 0.943 0.875 0.708 1.455 1.241 0.701 72.5 27.5 0.0 0.38
pn 1 6 7 1 0.5 0.4 2 4 -1.8 1.3 0 3 4 1.000 0.667 0.333 1.000 0.714 0.833 1.284 1.100 0.813 57.1 42.9 0.0 0.47
np 2 0 2 2 1.2 1.1 0 0 0.0 0.0 0 2 0 0.000 0.000 1.000 0.000 1.000 0.000 1.537 1.101 -1.000 50.0 50.0 0.0 0.00
wh 5 10 15 4 2.1 1.8 8 2 -1.1 0.8 1 12 3 0.800 0.200 0.333 0.667 0.400 0.500 2.303 1.904 -0.112 26.7 73.3 0.0 0.00
hw 6 10 16 0 0.0 0.0 1 9 -1.9 1.0 6 1 15 0.000 0.900 0.000 0.600 0.562 0.450 1.367 0.930 0.862 81.2 18.8 0.0 -0.20
nh 21 33 54 17 0.4 0.3 15 18 -1.4 0.9 4 32 22 0.810 0.545 0.531 0.818 0.648 0.677 1.156 0.883 0.640 59.3 40.7 0.0 0.35
hn 4 31 35 0 0.0 0.0 4 27 -1.7 1.0 4 4 31 0.000 0.871 0.000 0.871 0.771 0.435 1.339 0.990 0.646 74.3 22.9 2.9 -0.13
nw 8 8 16 2 0.2 0.2 0 8 -1.0 0.8 6 2 14 0.250 1.000 1.000 0.571 0.625 0.625 0.779 0.558 0.356 68.8 31.2 0.0 0.38
wn 5 10 15 3 1.4 1.3 5 5 -2.3 1.5 2 8 7 0.600 0.500 0.375 0.714 0.533 0.550 2.340 1.754 0.319 53.3 40.0 6.7 0.09
h0 33 159 192 14 0.7 0.4 31 128 -1.7 0.9 19 45 147 0.424 0.805 0.311 0.871 0.740 0.615 1.394 0.993 0.586 68.8 30.2 1.0 0.20
n0 20 31 51 10 1.4 1.3 16 15 -1.6 1.2 10 26 25 0.500 0.484 0.385 0.600 0.490 0.492 1.928 1.473 0.249 51.0 47.1 2.0 -0.02
w0 34 59 93 22 0.4 0.3 15 44 -1.4 0.9 12 37 56 0.647 0.746 0.595 0.786 0.710 0.696 1.124 0.861 0.626 58.1 41.9 0.0 0.39
0h 49 162 211 35 0.7 0.5 50 112 -1.6 0.9 14 85 126 0.714 0.691 0.412 0.889 0.697 0.703 1.435 1.038 0.547 61.1 38.4 0.5 0.35
0w 25 29 54 4 0.5 0.4 4 25 -1.5 1.0 21 8 46 0.160 0.862 0.500 0.543 0.537 0.511 1.138 0.857 0.719 70.4 29.6 0.0 0.03
0n 14 60 74 6 1.1 1.0 9 51 -1.7 1.1 8 15 59 0.429 0.850 0.400 0.864 0.770 0.639 1.564 1.150 0.547 60.8 36.5 2.7 0.27
pp 0 2 2 0 0.0 0.0 1 1 -0.0 0.7 0 1 1 0.000 0.500 0.000 1.000 0.500 0.250 2.256 1.902 -1.000 50.0 50.0 0.0 0.00
nn 0 0 0 0 0.0 0.0 0 0 0.0 0.0 0 0 0 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.0 0.0 0.0 0.00
X # A # V # I # L # M # F # W # Y # R # H # K # D # E # S # T # N # Q # C # G # P #
X 0.6 342 0.7 75 0.3 34 0.5 20 0.2 21 0.1 27 0.3 22 -0.9 3 -0.6 7 -0.3 5 0.9 4 1.0 6 0.5 12 0.5 13 0.6 25 0.9 8 0.2 18 1.0 3 0.1 9 0.7 21 0.3 9
A 0.5 22 0 0 0.9 4 * 1 * 2 0 0 * 2 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0.7 9 0 0 0 0 0 0 * 1 0 0 * 2
V 0.7 72 0.2 14 0 0 -0.5 10 -0.8 7 0.6 8 0.6 3 0 0 0.2 3 -0.4 3 0 0 * 1 -0.4 4 * 1 1.0 4 0.3 3 -0.1 3 0 0 * 2 0.8 5 * 1
I 0.7 48 0.3 15 0.3 16 0 0 0.7 3 0.6 8 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0 * 2 0 0 0 0 * 1 * 1 * 1
L 0.7 20 0.5 7 * 2 * 2 0 0 -0.4 7 * 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
M 0.6 12 * 1 0 0 * 2 -0.3 5 0 0 * 1 0 0 * 1 0 0 0 0 * 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
F 0.6 13 0.6 4 * 1 * 1 * 2 * 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 2 * 1 0 0 0 0 0 0
W 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
Y 0.9 12 * 1 0 0 0 0 0 0 0 0 0.1 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0
R -0.4 15 * 1 * 1 0 0 0 0 * 1 0 0 * 1 * 1 0 0 * 1 * 1 * 1 0.7 3 * 1 0 0 * 1 * 1 0 0 * 1 0 0
H * 2 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1
K -0.3 11 -0.2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.5 3 0 0 0 0 * 1 0 0 0 0 -0.7 3 * 1
D 0.2 16 0.3 7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 0 0 * 1 0 0 -0.9 5 0 0 0 0 0 0 * 2
E 1.0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 * 1 * 1 0 0 0 0 0 0
S 0.3 20 0.2 5 * 1 * 1 * 1 0 0 * 2 0 0 0 0 * 1 0 0 * 1 * 1 * 1 0 0 * 2 * 2 0 0 0 0 * 1 * 1
T 0.4 45 0.5 4 0.4 9 0.4 3 * 1 0 0 * 1 0 0 0 0 * 1 * 1 0 0 0.5 3 * 2 0.0 9 0 0 0.4 3 0 0 0.1 5 0.9 3 0 0
N 0.7 6 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 2 * 1 0 0 0 0 0 0 0 0 0 0 * 2 0 0
Q 0.1 6 * 1 0 0 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 * 1 0 0 * 2 0 0 0 0 0 0 0 0 0 0 * 1 0 0
C 0.6 5 * 1 0 0 0 0 0 0 0 0 * 1 * 1 * 1 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0
G 0.5 9 0.4 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
P 0.3 5 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 0 0 -0.4 3 0 0