| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
D |
81 |
21 |
5370 |
◊ |
B |
x,y,z |
1_555 |
93 |
22 |
5636 |
866.5 |
-12.9 |
0.443 |
7 |
3 |
0 |
0.704 |
2 |
|
C |
73 |
20 |
5649 |
◊ |
A |
x,y,z |
1_555 |
89 |
19 |
5853 |
717.5 |
-14.1 |
0.319 |
2 |
2 |
0 |
0.367 |
3 |
|
D |
65 |
17 |
5370 |
◊ |
A |
x,y,z |
1_555 |
72 |
16 |
5853 |
624.9 |
-13.8 |
0.213 |
4 |
1 |
0 |
0.481 |
4 |
|
C |
40 |
12 |
5649 |
◊ |
B |
x,y,z |
1_555 |
45 |
12 |
5636 |
393.5 |
-7.3 |
0.366 |
3 |
0 |
0 |
0.179 |
5 |
|
B |
38 |
10 |
5636 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
5853 |
393.2 |
-5.7 |
0.394 |
2 |
0 |
0 |
0.108 |
6 |
|
D |
39 |
11 |
5370 |
◊ |
C |
x,y,z |
1_555 |
34 |
9 |
5649 |
367.1 |
-6.7 |
0.300 |
1 |
0 |
0 |
0.148 |
7 |
|
A |
27 |
11 |
5853 |
◊ |
D |
x,y-1,z |
1_545 |
43 |
14 |
5370 |
291.9 |
3.4 |
0.966 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
31 |
6 |
5649 |
x |
C |
-x+2,y-1/2,-z+2 |
2_747 |
32 |
9 |
5649 |
283.5 |
0.5 |
0.887 |
5 |
1 |
0 |
0.000 |
9 |
|
D |
23 |
8 |
5370 |
◊ |
B |
x,y-1,z |
1_545 |
26 |
8 |
5636 |
250.7 |
-5.7 |
0.221 |
0 |
0 |
0 |
0.009 |
10 |
|
C |
22 |
6 |
5649 |
◊ |
A |
x,y-1,z |
1_545 |
21 |
6 |
5853 |
233.3 |
-6.5 |
0.127 |
0 |
0 |
0 |
0.099 |
11 |
|
A |
22 |
5 |
5853 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
28 |
7 |
5649 |
207.0 |
-1.6 |
0.647 |
2 |
1 |
0 |
0.000 |
12 |
|
D |
19 |
5 |
5370 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
22 |
6 |
5370 |
151.9 |
-0.8 |
0.748 |
0 |
0 |
0 |
0.000 |
13 |
|
B |
15 |
3 |
5636 |
◊ |
C |
x,y-1,z |
1_545 |
15 |
4 |
5649 |
136.9 |
-0.4 |
0.757 |
3 |
0 |
0 |
0.000 |
14 |
|
A |
15 |
5 |
5853 |
◊ |
B |
-x,y-3/2,-z+1 |
2_536 |
16 |
4 |
5636 |
136.4 |
-2.7 |
0.410 |
1 |
0 |
0 |
0.041 |
15 |
|
B |
17 |
6 |
5636 |
◊ |
A |
x-1,y+2,z-1 |
1_474 |
14 |
4 |
5853 |
127.0 |
0.9 |
0.840 |
1 |
2 |
0 |
0.000 |
16 |
|
C |
13 |
6 |
5649 |
x |
C |
-x+2,y-3/2,-z+2 |
2_737 |
15 |
5 |
5649 |
120.2 |
-1.2 |
0.661 |
1 |
1 |
0 |
0.000 |
17 |
|
B |
13 |
4 |
5636 |
◊ |
C |
x-1,y+2,z-1 |
1_474 |
11 |
4 |
5649 |
114.0 |
-1.7 |
0.502 |
2 |
2 |
0 |
0.037 |
18 |
|
D |
10 |
3 |
5370 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
17 |
6 |
5853 |
103.9 |
0.3 |
0.810 |
2 |
0 |
0 |
0.000 |
19 |
|
[GOL]B:306 |
6 |
1 |
220 |
f |
C |
x-1,y+2,z-1 |
1_474 |
16 |
4 |
5649 |
103.9 |
0.3 |
0.691 |
4 |
0 |
0 |
0.036 |
20 |
|
C |
14 |
4 |
5649 |
◊ |
[GOL]C:301 |
-x+2,y-1/2,-z+2 |
2_747 |
6 |
1 |
216 |
94.0 |
0.9 |
0.855 |
4 |
0 |
0 |
0.000 |
21 |
|
[MPD]A:301 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
5853 |
91.0 |
-6.0 |
0.551 |
0 |
0 |
0 |
0.185 |
22 |
|
[GOL]D:301 |
5 |
1 |
212 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
5370 |
90.3 |
-0.5 |
0.697 |
1 |
0 |
0 |
0.000 |
23 |
|
[GOL]C:302 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
5649 |
88.0 |
-1.7 |
0.416 |
0 |
0 |
0 |
0.040 |
24 |
|
[ACT]A:304 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
5853 |
84.8 |
-0.4 |
0.733 |
1 |
0 |
0 |
0.027 |
25 |
|
[GOL]B:301 |
6 |
1 |
219 |
◊ |
A |
x-1,y+2,z-1 |
1_474 |
18 |
4 |
5853 |
84.0 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
26 |
|
[GOL]A:302 |
5 |
1 |
215 |
◊ |
D |
x,y-1,z |
1_545 |
16 |
4 |
5370 |
83.5 |
-0.1 |
0.721 |
2 |
0 |
0 |
0.000 |
27 |
|
[GOL]A:303 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
5853 |
82.8 |
-0.4 |
0.606 |
1 |
0 |
0 |
0.025 |
28 |
|
C |
13 |
4 |
5649 |
◊ |
[GOL]C:305 |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
1 |
216 |
79.4 |
-0.8 |
0.573 |
0 |
0 |
0 |
0.000 |
29 |
|
[GOL]B:302 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
5636 |
78.3 |
-0.5 |
0.614 |
2 |
0 |
0 |
0.057 |
30 |
|
[ACT]C:306 |
4 |
1 |
183 |
f |
C |
-x+2,y-1/2,-z+2 |
2_747 |
14 |
4 |
5649 |
78.3 |
-1.0 |
0.708 |
0 |
0 |
0 |
0.023 |
31 |
|
[ACT]B:304 |
4 |
1 |
183 |
f |
A |
x-1,y+2,z-1 |
1_474 |
7 |
4 |
5853 |
78.3 |
-0.8 |
0.668 |
0 |
0 |
0 |
0.024 |
32 |
|
[ACT]C:303 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
5649 |
77.5 |
-2.0 |
0.497 |
0 |
0 |
0 |
0.048 |
33 |
|
[ACT]B:307 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
5636 |
74.8 |
0.6 |
0.809 |
2 |
0 |
0 |
0.014 |
34 |
|
A |
10 |
4 |
5853 |
◊ |
[GOL]B:303 |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
1 |
217 |
74.4 |
-0.9 |
0.549 |
0 |
0 |
0 |
0.000 |
35 |
|
[ACT]C:307 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
5649 |
74.2 |
-0.4 |
0.736 |
1 |
0 |
0 |
0.013 |
36 |
|
[GOL]C:305 |
6 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
5649 |
73.3 |
0.1 |
0.767 |
2 |
0 |
0 |
0.018 |
37 |
|
D |
6 |
3 |
5370 |
◊ |
B |
-x,y-3/2,-z+1 |
2_536 |
9 |
4 |
5636 |
72.9 |
-1.3 |
0.371 |
0 |
0 |
0 |
0.017 |
38 |
|
[ACT]D:302 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
5370 |
72.4 |
-0.3 |
0.692 |
0 |
0 |
0 |
0.000 |
39 |
|
[GOL]B:302 |
5 |
1 |
217 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
7 |
4 |
5853 |
71.8 |
-0.5 |
0.570 |
0 |
0 |
0 |
0.000 |
40 |
|
[GOL]C:302 |
5 |
1 |
218 |
◊ |
A |
x,y-1,z |
1_545 |
11 |
4 |
5853 |
70.9 |
-1.2 |
0.461 |
0 |
0 |
0 |
0.019 |
41 |
|
[GOL]A:302 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
5853 |
70.6 |
-0.6 |
0.586 |
2 |
0 |
0 |
0.045 |
42 |
|
[GOL]A:303 |
5 |
1 |
218 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
14 |
4 |
5649 |
70.3 |
-0.4 |
0.610 |
0 |
0 |
0 |
0.000 |
43 |
|
D |
8 |
3 |
5370 |
◊ |
[ACT]A:305 |
x-1,y+1,z-1 |
1_464 |
4 |
1 |
182 |
70.2 |
-0.6 |
0.656 |
0 |
0 |
0 |
0.000 |
44 |
|
[GOL]C:301 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
5649 |
69.7 |
-0.9 |
0.577 |
0 |
0 |
0 |
0.022 |
45 |
|
[ACT]A:305 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
5853 |
67.9 |
-0.6 |
0.693 |
0 |
0 |
0 |
0.008 |
46 |
|
[GOL]B:306 |
5 |
1 |
220 |
◊ |
A |
x-1,y+2,z-1 |
1_474 |
11 |
4 |
5853 |
67.5 |
-0.8 |
0.505 |
0 |
0 |
0 |
0.019 |
47 |
|
[ACT]D:302 |
4 |
1 |
183 |
f |
B |
x,y-1,z |
1_545 |
10 |
4 |
5636 |
66.7 |
-1.0 |
0.670 |
1 |
0 |
0 |
0.060 |
48 |
|
[GOL]B:303 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
5649 |
61.2 |
-0.3 |
0.631 |
0 |
0 |
0 |
0.006 |
49 |
|
A |
7 |
4 |
5853 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
5370 |
58.6 |
-0.3 |
0.646 |
0 |
0 |
0 |
0.000 |
50 |
|
[GOL]B:301 |
6 |
1 |
219 |
f |
C |
x-1,y+2,z-1 |
1_474 |
6 |
3 |
5649 |
57.3 |
-0.6 |
0.559 |
1 |
0 |
0 |
0.024 |
51 |
|
[ACT]B:305 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
5636 |
56.5 |
-0.6 |
0.518 |
0 |
0 |
0 |
0.024 |
52 |
|
[GOL]B:303 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
5636 |
54.8 |
0.1 |
0.656 |
3 |
0 |
0 |
0.055 |
53 |
|
B |
7 |
5 |
5636 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
6 |
3 |
5853 |
53.8 |
1.3 |
0.885 |
1 |
2 |
0 |
0.000 |
54 |
|
[GOL]B:301 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
5636 |
52.7 |
-0.4 |
0.561 |
0 |
0 |
0 |
0.005 |
55 |
|
[GOL]C:304 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
5853 |
49.3 |
-0.8 |
0.475 |
0 |
0 |
0 |
0.024 |
56 |
|
[GOL]D:301 |
4 |
1 |
212 |
◊ |
B |
-x,y-3/2,-z+1 |
2_536 |
4 |
3 |
5636 |
48.7 |
-0.8 |
0.290 |
0 |
0 |
0 |
0.001 |
57 |
|
C |
6 |
2 |
5649 |
◊ |
[MPD]A:301 |
x,y-1,z |
1_545 |
4 |
1 |
276 |
45.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.026 |
58 |
|
[ACT]C:306 |
2 |
1 |
183 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
6 |
3 |
5636 |
43.3 |
-0.9 |
0.586 |
0 |
0 |
0 |
0.019 |
59 |
|
[GOL]D:301 |
3 |
1 |
212 |
f |
D |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
5370 |
42.0 |
-1.1 |
0.264 |
0 |
0 |
0 |
0.100 |
60 |
|
[ACT]C:307 |
4 |
1 |
182 |
f |
[MPD]A:301 |
x,y-1,z |
1_545 |
5 |
1 |
276 |
41.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.068 |
61 |
|
D |
8 |
2 |
5370 |
◊ |
[ACT]B:305 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
182 |
40.6 |
-0.5 |
0.706 |
0 |
0 |
0 |
0.000 |
62 |
|
C |
4 |
1 |
5649 |
◊ |
[GOL]A:303 |
x,y-1,z |
1_545 |
4 |
1 |
218 |
39.6 |
0.4 |
0.664 |
0 |
0 |
0 |
0.000 |
63 |
|
C |
4 |
1 |
5649 |
◊ |
[MPD]A:301 |
-x+2,y-1/2,-z+2 |
2_747 |
4 |
1 |
276 |
38.2 |
-1.4 |
0.000 |
1 |
0 |
0 |
0.000 |
64 |
|
C |
4 |
3 |
5649 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
1 |
5370 |
37.7 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
65 |
|
[GOL]B:302 |
4 |
1 |
217 |
◊ |
C |
x-1,y+2,z-1 |
1_474 |
3 |
2 |
5649 |
36.8 |
-1.1 |
0.286 |
0 |
0 |
0 |
0.014 |
66 |
|
D |
5 |
2 |
5370 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
5636 |
35.7 |
0.6 |
0.764 |
0 |
0 |
0 |
0.000 |
67 |
|
[GOL]C:304 |
4 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
5649 |
35.2 |
0.3 |
0.709 |
1 |
0 |
0 |
0.005 |
68 |
|
[ACT]B:304 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5636 |
34.3 |
0.9 |
0.893 |
2 |
0 |
0 |
0.000 |
69 |
|
[GOL]A:302 |
3 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
5649 |
33.3 |
-0.3 |
0.589 |
0 |
0 |
0 |
0.007 |
70 |
|
B |
6 |
2 |
5636 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
2 |
5370 |
33.1 |
0.1 |
0.709 |
0 |
1 |
0 |
0.000 |
71 |
|
A |
4 |
3 |
5853 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
5636 |
32.5 |
0.4 |
0.752 |
0 |
0 |
0 |
0.000 |
72 |
|
C |
3 |
1 |
5649 |
◊ |
[GOL]C:304 |
x,y-1,z |
1_545 |
4 |
1 |
217 |
32.3 |
0.5 |
0.754 |
1 |
0 |
0 |
0.000 |
73 |
|
B |
2 |
2 |
5636 |
f |
[ACT]A:305 |
x-1,y+2,z-1 |
1_474 |
2 |
1 |
182 |
28.9 |
-0.9 |
0.344 |
0 |
0 |
0 |
0.039 |
74 |
|
[ACT]A:304 |
3 |
1 |
182 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
5370 |
23.3 |
0.1 |
0.647 |
1 |
0 |
0 |
0.000 |
75 |
|
[ACT]C:307 |
3 |
1 |
182 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
2 |
5649 |
22.7 |
0.5 |
0.845 |
0 |
0 |
0 |
0.000 |
76 |
|
[ACT]C:307 |
1 |
1 |
182 |
f |
[GOL]C:304 |
x,y-1,z |
1_545 |
3 |
1 |
217 |
21.0 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
77 |
|
[ACT]C:307 |
3 |
1 |
182 |
f |
A |
x,y-1,z |
1_545 |
2 |
2 |
5853 |
20.8 |
-0.5 |
0.433 |
0 |
0 |
0 |
0.016 |
78 |
|
B |
3 |
1 |
5636 |
◊ |
[GOL]C:302 |
x-1,y+2,z-1 |
1_474 |
3 |
1 |
218 |
20.1 |
0.3 |
0.752 |
0 |
0 |
0 |
0.000 |
79 |
|
[GOL]C:305 |
4 |
1 |
216 |
f |
[MPD]A:301 |
x,y,z |
1_555 |
3 |
1 |
276 |
20.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.035 |
80 |
|
[MPD]A:301 |
3 |
1 |
276 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
5649 |
19.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
81 |
|
[GOL]C:304 |
2 |
1 |
217 |
f |
[MPD]A:301 |
x,y,z |
1_555 |
2 |
1 |
276 |
19.3 |
-1.0 |
0.000 |
1 |
0 |
0 |
0.044 |
82 |
|
B |
4 |
2 |
5636 |
◊ |
[ACT]C:303 |
x-1,y+2,z-1 |
1_474 |
2 |
1 |
182 |
19.2 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
83 |
|
A |
3 |
1 |
5853 |
◊ |
[GOL]C:301 |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
1 |
216 |
18.3 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
84 |
|
[ACT]C:306 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5649 |
16.6 |
0.2 |
0.807 |
0 |
0 |
0 |
0.000 |
85 |
|
[GOL]B:302 |
2 |
1 |
217 |
◊ |
[GOL]C:302 |
x-1,y+2,z-1 |
1_474 |
2 |
1 |
218 |
12.7 |
-0.2 |
0.555 |
0 |
0 |
0 |
0.002 |
86 |
|
[ACT]A:304 |
1 |
1 |
182 |
f |
[GOL]A:302 |
x,y,z |
1_555 |
3 |
1 |
215 |
12.1 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
87 |
|
[ACT]C:303 |
1 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5853 |
10.9 |
0.2 |
0.600 |
0 |
0 |
0 |
0.000 |
88 |
|
C |
1 |
1 |
5649 |
◊ |
[GOL]C:304 |
-x+2,y-1/2,-z+2 |
2_747 |
3 |
1 |
217 |
9.5 |
0.2 |
0.663 |
0 |
0 |
0 |
0.000 |
89 |
|
[GOL]A:302 |
3 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
5636 |
7.9 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
90 |
|
[GOL]C:305 |
1 |
1 |
216 |
f |
[GOL]C:304 |
x,y,z |
1_555 |
1 |
1 |
217 |
6.2 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
91 |
|
[GOL]B:301 |
2 |
1 |
219 |
f |
[ACT]C:303 |
x-1,y+2,z-1 |
1_474 |
1 |
1 |
182 |
5.8 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
92 |
|
[GOL]B:306 |
1 |
1 |
220 |
f |
[GOL]B:301 |
x,y,z |
1_555 |
1 |
1 |
219 |
4.9 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
93 |
|
[ACT]C:303 |
1 |
1 |
182 |
f |
[GOL]C:302 |
x,y,z |
1_555 |
3 |
1 |
218 |
4.8 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
94 |
|
[ACT]B:307 |
1 |
1 |
183 |
◊ |
[ACT]B:304 |
x,y,z |
1_555 |
1 |
1 |
183 |
4.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
95 |
|
[GOL]C:305 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
5853 |
4.3 |
-0.0 |
0.470 |
0 |
0 |
0 |
0.000 |
96 |
|
[GOL]C:302 |
1 |
1 |
218 |
◊ |
[MPD]A:301 |
x,y-1,z |
1_545 |
1 |
1 |
276 |
3.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
97 |
|
A |
3 |
1 |
5853 |
◊ |
[ACT]B:305 |
-x,y-3/2,-z+1 |
2_536 |
1 |
1 |
182 |
2.9 |
-0.1 |
0.581 |
0 |
0 |
0 |
0.001 |
98 |
|
[GOL]C:305 |
1 |
1 |
216 |
◊ |
[GOL]C:304 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
217 |
0.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
|