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RTherNet.Mlog
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RTherNet.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 253 89 342 170 1.8 1.2 32 57 -0.7 0.5 83 202 140 0.672 0.640 0.842 0.407 0.664 0.656 1.535 1.095 0.467 57.6 41.5 0.9 0.28
A 77 20 97 58 2.2 1.1 4 16 -1.2 0.8 19 62 35 0.753 0.800 0.935 0.457 0.763 0.777 1.614 1.174 0.619 64.9 33.0 2.1 0.47
V 80 26 106 60 1.5 1.0 13 13 -0.4 0.2 20 73 33 0.750 0.500 0.822 0.394 0.689 0.625 1.318 0.835 0.444 66.0 34.0 0.0 0.23
I 58 10 68 50 1.7 0.9 1 9 -0.6 0.3 8 51 17 0.862 0.900 0.980 0.529 0.868 0.881 1.161 0.904 0.660 61.8 36.8 1.5 0.62
L 31 10 41 21 2.0 1.0 1 9 -0.4 0.3 10 22 19 0.677 0.900 0.955 0.474 0.732 0.789 1.408 0.968 0.664 63.4 36.6 0.0 0.50
M 32 7 39 24 1.4 1.1 3 4 -0.4 0.2 8 27 12 0.750 0.571 0.889 0.333 0.718 0.661 1.299 1.016 0.246 43.6 56.4 0.0 0.27
F 28 7 35 13 2.0 1.4 3 4 -0.5 0.6 15 16 19 0.464 0.571 0.812 0.211 0.486 0.518 1.684 1.234 0.429 62.9 34.3 2.9 0.03
W 3 0 3 1 4.5 4.4 0 0 0.0 0.0 2 1 2 0.000 0.000 1.000 0.000 0.333 0.000 4.198 4.183 0.979 0.0 66.7 33.3 0.00
Y 17 2 19 4 3.6 2.4 1 1 -0.2 0.0 13 5 14 0.235 0.500 0.800 0.071 0.263 0.368 2.089 1.516 0.633 57.9 42.1 0.0 -0.18
R 17 3 20 10 2.4 2.1 1 2 -0.2 0.1 7 11 9 0.588 0.667 0.909 0.222 0.600 0.627 2.286 1.742 0.124 40.0 60.0 0.0 0.18
H 2 4 6 2 2.6 2.2 2 2 -0.8 0.3 0 4 2 1.000 0.500 0.500 1.000 0.667 0.750 1.649 1.372 0.494 33.3 66.7 0.0 0.50
K 10 7 17 8 2.0 1.8 4 3 -0.7 0.5 2 12 5 0.800 0.429 0.667 0.600 0.647 0.614 2.062 1.211 0.297 52.9 47.1 0.0 0.25
D 12 16 28 5 1.6 1.4 7 9 -1.6 1.4 7 12 16 0.417 0.562 0.417 0.562 0.500 0.490 1.569 1.284 0.283 46.4 53.6 0.0 -0.02
E 8 8 16 3 0.6 0.6 5 3 -0.4 0.4 5 8 8 0.375 0.375 0.375 0.375 0.375 0.375 0.914 0.701 -0.174 75.0 25.0 0.0 -0.25
S 30 15 45 20 1.3 1.0 2 13 -0.4 0.4 10 22 23 0.667 0.867 0.909 0.565 0.733 0.767 1.162 0.803 0.589 68.9 31.1 0.0 0.50
T 40 13 53 23 1.6 1.2 5 8 -0.5 0.4 17 28 25 0.575 0.615 0.821 0.320 0.585 0.595 1.352 1.110 0.393 45.3 54.7 0.0 0.16
N 13 11 24 10 1.6 1.4 5 6 -0.8 0.7 3 15 9 0.769 0.545 0.667 0.667 0.667 0.657 1.519 1.028 0.115 54.2 45.8 0.0 0.32
Q 6 3 9 3 0.4 0.4 1 2 -0.3 0.3 3 4 5 0.500 0.667 0.750 0.400 0.556 0.583 0.986 0.807 -0.143 55.6 44.4 0.0 0.16
C 12 2 14 8 1.9 1.4 1 1 -0.6 0.6 4 9 5 0.667 0.500 0.889 0.200 0.643 0.583 2.189 1.796 -0.231 28.6 64.3 7.1 0.12
G 23 7 30 15 2.1 1.5 3 4 -0.4 0.2 8 18 12 0.652 0.571 0.833 0.333 0.633 0.612 1.817 1.366 0.522 53.3 46.7 0.0 0.19
P 7 7 14 2 1.6 1.2 2 5 -0.7 0.6 5 4 10 0.286 0.714 0.500 0.500 0.500 0.500 1.638 1.267 -0.050 42.9 57.1 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 36 4 40 36 2.8 1.3 3 1 -1.0 0.4 0 39 1 1.000 0.250 0.923 1.000 0.925 0.625 1.625 1.274 0.598 77.5 20.0 2.5 0.48
bs 7 8 15 0 0.0 0.0 0 8 -0.7 0.4 7 0 15 0.000 1.000 0.000 0.533 0.533 0.500 2.355 1.743 0.401 46.7 40.0 13.3 0.00
pn 0 2 2 0 0.0 0.0 2 0 0.0 0.0 0 2 0 0.000 0.000 0.000 0.000 0.000 0.000 1.800 1.665 1.000 50.0 50.0 0.0 0.00
np 6 1 7 3 1.7 1.6 1 0 0.0 0.0 3 4 3 0.500 0.000 0.750 0.000 0.429 0.250 1.727 1.394 0.329 42.9 57.1 0.0 -0.35
wh 10 6 16 9 1.9 1.6 6 0 0.0 0.0 1 15 1 0.900 0.000 0.600 0.000 0.562 0.450 2.110 1.214 -0.037 56.2 43.8 0.0 -0.20
hw 10 5 15 6 2.0 1.7 1 4 -2.6 2.4 4 7 8 0.600 0.800 0.857 0.500 0.667 0.700 2.002 1.637 0.511 26.7 73.3 0.0 0.38
nh 31 4 35 19 2.0 1.5 1 3 -0.5 0.5 12 20 15 0.613 0.750 0.950 0.200 0.629 0.681 1.619 1.263 0.685 60.0 40.0 0.0 0.23
hn 33 21 54 11 1.7 1.3 4 17 -0.4 0.3 22 15 39 0.333 0.810 0.733 0.436 0.519 0.571 1.278 0.974 0.519 59.3 40.7 0.0 0.16
nw 10 5 15 6 2.4 2.2 4 1 -1.0 0.4 4 10 5 0.600 0.200 0.600 0.200 0.467 0.400 2.537 1.931 -0.035 40.0 60.0 0.0 -0.20
wn 8 8 16 2 1.1 1.1 4 4 -0.3 0.3 6 6 10 0.250 0.500 0.333 0.400 0.375 0.375 0.934 0.674 -0.388 68.8 31.2 0.0 -0.26
h0 162 49 211 112 1.8 1.0 12 37 -0.7 0.5 50 124 87 0.691 0.755 0.903 0.425 0.706 0.723 1.446 1.040 0.536 59.2 39.3 1.4 0.38
n0 29 25 54 17 1.7 1.5 14 11 -0.6 0.5 12 31 23 0.586 0.440 0.548 0.478 0.519 0.513 1.510 0.987 0.154 59.3 40.7 0.0 0.03
w0 60 14 74 39 1.9 1.4 6 8 -0.7 0.5 21 45 29 0.650 0.571 0.867 0.276 0.635 0.611 1.806 1.367 0.434 50.0 50.0 0.0 0.18
0h 159 33 192 123 1.8 1.1 14 19 -0.6 0.3 36 137 55 0.774 0.576 0.898 0.345 0.740 0.675 1.537 1.066 0.499 62.0 36.5 1.6 0.29
0w 31 20 51 19 1.9 1.7 8 12 -1.4 1.2 12 27 24 0.613 0.600 0.704 0.500 0.608 0.606 1.937 1.450 0.233 45.1 54.9 0.0 0.21
0n 59 34 93 27 1.6 1.1 9 25 -0.4 0.3 32 36 57 0.458 0.735 0.750 0.439 0.559 0.596 1.279 0.963 0.495 57.0 43.0 0.0 0.19
pp 2 0 2 1 3.1 2.4 0 0 0.0 0.0 1 1 1 0.000 0.000 1.000 0.000 0.500 0.000 1.691 1.246 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 0.5 342 0.5 22 0.5 72 0.5 48 0.8 20 0.6 12 0.3 13 0 0 0.9 12 0.1 15 * 2 0.5 11 0.3 16 0.1 3 0.4 20 0.2 45 0.7 6 -0.4 6 0.4 5 0.3 9 -0.5 5
A 0.7 75 0 0 0.8 14 0.5 15 -0.2 7 * 1 -0.2 4 0 0 * 1 * 1 * 1 0.8 3 0.7 7 0 0 0.5 5 -0.3 4 * 1 * 1 * 1 0.5 8 * 1
V 0.3 34 0.8 4 0 0 0.2 16 * 2 0 0 * 1 0 0 0 0 * 1 0 0 0 0 0 0 0 0 * 1 -0.2 9 0 0 0 0 0 0 0 0 0 0
I 0.6 20 * 1 0.7 10 0 0 * 2 * 2 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 -0.0 3 0 0 0 0 0 0 0 0 0 0
L 0.3 21 * 2 0.0 7 0.9 3 0 0 0.5 5 * 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 * 1 0 0 0 0 0 0 0 0 0 0
M 0.0 27 0 0 0.2 8 0.5 8 0.3 7 0 0 * 2 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 0 0
F 0.2 22 * 2 -0.7 3 0 0 * 2 * 1 0 0 0 0 0.5 10 0 0 0 0 0 0 0 0 0 0 * 2 * 1 0 0 0 0 * 1 0 0 0 0
W 1.0 3 * 1 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 * 1 0 0 0 0
Y -0.2 7 0 0 -0.8 3 * 1 0 0 * 1 0 0 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0
R 0.5 5 0 0 0.5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 * 1 0 0 0 0 0 0 0 0 0 0
H 0.3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 * 1 * 1 0 0 * 1 0 0 0 0 0 0 0 0 0 0
K 0.8 6 0 0 * 1 0 0 0 0 * 2 0 0 0 0 0 0 * 1 0 0 0 0 0 0 0 0 * 1 0 0 0 0 * 1 0 0 0 0 0 0
D 0.1 12 0 0 0.7 4 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 0 0 0 0 * 1 -0.4 3 * 2 0 0 0 0 * 1 0 0
E -0.1 13 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0.8 3 0 0 -0.8 3 0 0 0 0 * 1 * 2 * 1 * 2 0 0 0 0 0 0
S 0.6 25 -0.0 9 0.8 4 0 0 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 * 1 0 0 0 0 0.7 9 0 0 0 0 * 1 0 0 0 0
T 0.9 8 0 0 1.0 3 * 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 2 0 0 0 0 0 0 0 0 0 0 * 1
N 0.1 18 0 0 0.8 3 0 0 0 0 0 0 * 2 0 0 0 0 * 1 0 0 * 1 0.3 5 * 1 * 2 -0.8 3 0 0 0 0 0 0 0 0 0 0
Q 0.7 3 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 * 1 0 0 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0
C -0.0 9 * 1 * 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 5 0 0 0 0 0 0 0 0 0 0
G 0.5 21 0 0 1.0 5 * 1 0 0 0 0 0 0 0 0 * 1 * 1 0 0 0.6 3 0 0 0 0 * 1 -0.1 3 * 2 * 1 0 0 0 0 -0.9 3
P 0.6 9 * 2 * 1 * 1 0 0 0 0 0 0 0 0 0 0 0 0 * 1 * 1 * 2 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0