-
Notifications
You must be signed in to change notification settings - Fork 4
/
NDDGun3D.Mlog
66 lines (64 loc) · 10.3 KB
/
NDDGun3D.Mlog
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
# 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 342 342 684 233 1.4 0.9 105 237 -1.4 0.9 109 338 346 0.681 0.693 0.689 0.685 0.687 0.687 1.434 1.039 0.627 61.8 37.4 0.7 0.37
A 97 97 194 74 1.9 1.1 22 75 -1.9 1.0 23 96 98 0.763 0.773 0.771 0.765 0.768 0.768 1.592 1.232 0.723 58.8 41.2 0.0 0.54
V 106 106 212 68 1.2 0.8 36 70 -1.2 0.8 38 104 108 0.642 0.660 0.654 0.648 0.651 0.651 1.277 0.890 0.608 67.9 32.1 0.0 0.30
I 68 68 136 52 1.6 0.7 13 55 -1.6 0.7 16 65 71 0.765 0.809 0.800 0.775 0.787 0.787 0.976 0.796 0.845 69.9 30.1 0.0 0.57
L 41 41 82 29 1.5 0.9 13 28 -1.5 0.8 12 42 40 0.707 0.683 0.690 0.700 0.695 0.695 1.530 1.048 0.621 68.3 31.7 0.0 0.39
M 39 39 78 30 1.2 0.7 9 30 -1.2 0.6 9 39 39 0.769 0.769 0.769 0.769 0.769 0.769 1.207 0.858 0.553 59.0 41.0 0.0 0.54
F 35 35 70 24 1.2 0.9 11 24 -1.2 0.8 11 35 35 0.686 0.686 0.686 0.686 0.686 0.686 1.513 1.045 0.562 64.3 35.7 0.0 0.37
W 3 3 6 0 0.0 0.0 3 0 0.0 0.0 3 3 3 0.000 0.000 0.000 0.000 0.000 0.000 4.355 4.169 -0.974 0.0 83.3 16.7 -1.00
Y 19 19 38 10 1.7 0.9 9 10 -1.7 0.7 9 19 19 0.526 0.526 0.526 0.526 0.526 0.526 1.953 1.260 0.572 63.2 26.3 10.5 0.05
R 20 20 40 13 1.4 0.9 7 13 -1.4 1.0 7 20 20 0.650 0.650 0.650 0.650 0.650 0.650 2.342 1.704 0.190 52.5 42.5 5.0 0.30
H 6 6 12 3 1.5 1.4 3 3 -1.5 1.4 3 6 6 0.500 0.500 0.500 0.500 0.500 0.500 1.868 1.559 -0.031 33.3 66.7 0.0 0.00
K 17 17 34 9 1.8 1.1 8 9 -1.8 1.1 8 17 17 0.529 0.529 0.529 0.529 0.529 0.529 1.395 1.031 0.874 73.5 26.5 0.0 0.06
D 28 28 56 12 1.8 1.4 16 12 -1.8 1.4 16 28 28 0.429 0.429 0.429 0.429 0.429 0.429 1.519 1.288 0.359 50.0 50.0 0.0 -0.14
E 16 16 32 9 0.7 0.6 7 9 -0.7 0.6 7 16 16 0.562 0.562 0.562 0.562 0.562 0.562 0.711 0.595 0.580 75.0 25.0 0.0 0.12
S 45 45 90 38 1.0 0.8 6 39 -1.0 0.7 7 44 46 0.844 0.867 0.864 0.848 0.856 0.856 1.107 0.771 0.607 70.0 30.0 0.0 0.71
T 53 53 106 41 1.3 0.9 12 41 -1.3 0.9 12 53 53 0.774 0.774 0.774 0.774 0.774 0.774 1.111 0.931 0.676 49.1 50.9 0.0 0.55
N 24 24 48 10 1.5 1.0 13 11 -1.3 0.9 14 23 25 0.417 0.458 0.435 0.440 0.438 0.438 1.362 1.003 0.508 62.5 37.5 0.0 -0.13
Q 9 9 18 6 0.7 0.4 3 6 -0.7 0.4 3 9 9 0.667 0.667 0.667 0.667 0.667 0.667 0.859 0.672 0.312 61.1 38.9 0.0 0.33
C 14 14 28 8 1.9 1.2 6 8 -2.0 1.1 6 14 14 0.571 0.571 0.571 0.571 0.571 0.571 2.059 1.654 0.321 28.6 60.7 10.7 0.14
G 30 30 60 23 1.9 1.2 7 23 -1.9 1.1 7 30 30 0.767 0.767 0.767 0.767 0.767 0.767 1.477 1.132 0.760 63.3 36.7 0.0 0.53
P 14 14 28 7 1.3 1.1 6 8 -1.2 0.9 7 13 15 0.500 0.571 0.538 0.533 0.536 0.536 1.411 1.103 0.412 64.3 35.7 0.0 0.07
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 44 11 55 40 2.6 1.2 9 2 -1.0 0.9 4 49 6 0.909 0.182 0.816 0.333 0.764 0.545 1.817 1.441 0.621 63.6 32.7 3.6 0.12
bs 11 44 55 2 1.0 0.9 4 40 -2.6 1.2 9 6 49 0.182 0.909 0.333 0.816 0.764 0.545 1.714 1.368 0.665 67.3 30.9 1.8 0.12
pn 1 8 9 1 0.5 0.4 2 6 -1.6 1.3 0 3 6 1.000 0.750 0.333 1.000 0.778 0.875 1.339 1.101 0.727 55.6 44.4 0.0 0.50
np 8 1 9 6 1.6 1.2 0 1 -0.5 0.4 2 6 3 0.750 1.000 1.000 0.333 0.778 0.875 1.274 1.051 0.767 55.6 44.4 0.0 0.50
wh 15 16 31 13 2.0 1.2 14 2 -1.1 0.8 2 27 4 0.867 0.125 0.481 0.500 0.484 0.496 1.862 1.389 0.569 54.8 45.2 0.0 -0.01
hw 16 15 31 2 1.1 0.7 2 13 -2.0 1.2 14 4 27 0.125 0.867 0.500 0.481 0.484 0.496 1.910 1.424 0.514 54.8 45.2 0.0 -0.01
nh 52 37 89 44 1.2 0.7 18 19 -1.3 0.9 8 62 27 0.846 0.514 0.710 0.704 0.708 0.680 1.259 0.934 0.663 65.2 33.7 1.1 0.39
hn 37 52 89 18 1.4 0.9 8 44 -1.2 0.7 19 26 63 0.486 0.846 0.692 0.698 0.697 0.666 1.242 0.930 0.671 65.2 33.7 1.1 0.36
nw 18 13 31 7 1.7 1.1 2 11 -1.1 0.9 11 9 22 0.389 0.846 0.778 0.500 0.581 0.618 1.746 1.137 0.362 64.5 32.3 3.2 0.26
wn 13 18 31 10 1.2 1.0 11 7 -1.7 1.1 3 21 10 0.769 0.389 0.476 0.700 0.548 0.579 1.724 1.139 0.404 61.3 35.5 3.2 0.17
h0 195 208 403 124 1.5 0.9 45 163 -1.5 0.8 71 169 234 0.636 0.784 0.734 0.697 0.712 0.710 1.438 1.035 0.655 63.0 36.5 0.5 0.42
n0 49 56 105 34 1.5 1.1 37 19 -1.4 1.0 15 71 34 0.694 0.339 0.479 0.559 0.505 0.517 1.563 1.152 0.536 60.0 39.0 1.0 0.04
w0 94 73 167 73 1.3 0.9 22 51 -1.3 0.9 21 95 72 0.777 0.699 0.768 0.708 0.743 0.738 1.364 1.000 0.631 59.9 38.9 1.2 0.48
0h 208 195 403 161 1.5 0.9 68 127 -1.5 0.8 47 229 174 0.774 0.651 0.703 0.730 0.715 0.713 1.436 1.033 0.655 63.0 36.5 0.5 0.43
0w 56 49 105 19 1.4 1.0 14 35 -1.5 1.1 37 33 72 0.339 0.714 0.576 0.486 0.514 0.527 1.583 1.158 0.497 61.9 37.1 1.0 0.06
0n 73 94 167 49 1.4 1.0 21 73 -1.3 0.8 24 70 97 0.671 0.777 0.700 0.753 0.731 0.724 1.349 0.997 0.639 59.3 39.5 1.2 0.45
pp 2 2 4 1 0.0 0.8 1 1 -0.0 0.7 1 2 2 0.500 0.500 0.500 0.500 0.500 0.500 2.266 1.921 -0.029 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 0.6 684 0.7 97 0.6 106 0.7 68 0.5 41 0.5 39 0.5 35 -0.9 3 0.5 19 -0.1 20 0.4 6 0.9 17 0.2 28 0.4 16 0.5 45 0.7 53 0.5 24 0.2 9 0.5 14 0.7 30 0.4 14
A 0.6 97 0 0 0.4 18 0.3 16 0.5 9 * 1 0.6 6 * 1 * 1 * 1 * 1 -0.2 3 0.2 7 0 0 0.5 14 0.5 4 * 1 * 1 * 2 0.4 8 -1.0 3
V 0.6 106 0.5 18 0 0 0.4 26 0.6 9 0.6 8 0.6 4 0 0 0.2 3 -0.4 4 0 0 * 1 -0.4 4 * 1 1.0 5 0.6 12 -0.1 3 0 0 * 2 0.8 5 * 1
I 0.7 68 0.3 16 0.4 26 0 0 0.6 5 0.7 10 * 1 0 0 * 1 0 0 0 0 0 0 0 0 0 0 * 1 0.9 5 0 0 0 0 * 1 * 1 * 1
L 0.6 41 0.6 9 0.6 9 0.6 5 0 0 0.0 12 0.4 4 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 0.5 39 * 1 0.6 8 0.7 10 -0.1 12 0 0 -0.8 3 0 0 * 1 * 1 0 0 * 2 0 0 0 0 0 0 0 0 0 0 * 1 0 0 0 0 0 0
F 0.6 35 0.7 6 0.7 4 * 1 0.5 4 -0.9 3 0 0 0 0 0.1 10 0 0 0 0 0 0 0 0 0 0 * 2 * 1 * 2 * 1 * 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 0.6 19 * 1 0.2 3 * 1 0 0 * 1 0.1 10 0 0 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 * 1 * 1 0 0
R -0.2 20 * 1 -0.7 4 0 0 0 0 * 1 0 0 * 1 * 1 0 0 * 1 * 1 * 1 0.7 3 * 2 * 1 * 1 * 1 0 0 * 1 0 0
H 0.7 6 * 1 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 * 1
K 0.9 17 -0.2 3 * 1 0 0 0 0 * 2 0 0 0 0 0 0 * 1 0 0 0 0 0 0 -0.5 3 * 1 0 0 * 1 * 1 0 0 -0.7 3 * 1
D 0.3 28 0.3 7 -0.5 4 0 0 0 0 0 0 0 0 0 0 0 0 * 1 * 1 0 0 0 0 0 0 * 2 0.5 3 -0.9 7 0 0 0 0 * 1 * 2
E 0.5 16 0 0 * 1 0 0 0 0 0 0 0 0 0 0 0 0 0.8 3 * 1 -0.1 3 0 0 0 0 * 1 * 2 * 2 0.5 3 0 0 0 0 0 0
S 0.5 45 0.5 14 1.0 5 * 1 * 1 0 0 * 2 0 0 0 0 * 2 0 0 * 1 * 2 * 1 0 0 0.2 11 * 2 0 0 * 1 * 1 * 1
T 0.7 53 0.5 4 0.6 12 0.9 5 * 1 0 0 * 1 0 0 0 0 * 1 * 1 0 0 0.5 3 * 2 0.2 11 0 0 0.4 3 0 0 0.1 5 0.9 3 * 1
N 0.6 24 * 1 0.0 3 0 0 0 0 0 0 * 2 0 0 0 0 * 1 0 0 * 1 -0.9 7 * 2 * 2 0.4 3 0 0 0 0 0 0 * 2 0 0
Q 0.3 9 * 1 0 0 0 0 0 0 * 1 * 1 0 0 0 0 * 1 0 0 * 1 0 0 0.5 3 0 0 0 0 0 0 0 0 0 0 * 1 0 0
C 0.4 14 * 2 * 2 * 1 0 0 0 0 * 1 * 1 * 1 0 0 0 0 0 0 0 0 0 0 * 1 0.1 5 0 0 0 0 0 0 0 0 0 0
G 0.7 30 0.4 8 0.4 5 * 1 0 0 0 0 0 0 0 0 * 1 * 1 0 0 -0.7 3 * 1 0 0 * 1 0.7 3 * 2 * 1 0 0 0 0 -0.5 3
P 0.3 14 -1.0 3 * 1 * 1 0 0 0 0 0 0 0 0 0 0 0 0 * 1 * 1 * 2 0 0 * 1 * 1 0 0 0 0 0 0 -0.4 3 0 0