## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
D |
167 |
41 |
12021 |
◊ |
C |
x,y,z |
1_555 |
174 |
49 |
12029 |
1805.3 |
-29.7 |
0.019 |
16 |
1 |
0 |
0.788 |
2 |
|
E |
167 |
42 |
12035 |
◊ |
D |
x,y,z |
1_555 |
175 |
49 |
12021 |
1764.1 |
-27.5 |
0.044 |
18 |
3 |
0 |
0.788 |
3 |
|
C |
168 |
41 |
12029 |
◊ |
B |
x,y,z |
1_555 |
176 |
51 |
12078 |
1762.8 |
-28.4 |
0.031 |
17 |
2 |
0 |
0.788 |
4 |
|
E |
176 |
49 |
12035 |
◊ |
A |
x,y,z |
1_555 |
161 |
40 |
11899 |
1694.5 |
-28.3 |
0.034 |
16 |
1 |
0 |
0.788 |
5 |
|
B |
164 |
39 |
12078 |
◊ |
A |
x,y,z |
1_555 |
175 |
49 |
11899 |
1693.5 |
-29.2 |
0.025 |
15 |
1 |
0 |
0.788 |
Average: |
1744.0 |
-28.6 |
0.031 |
16 |
2 |
0 |
0.788 |
2 |
6 |
|
D |
60 |
17 |
12021 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
60 |
16 |
12078 |
502.5 |
-6.8 |
0.287 |
0 |
0 |
0 |
0.066 |
7 |
|
E |
60 |
16 |
12035 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
60 |
16 |
11899 |
500.3 |
-7.0 |
0.303 |
0 |
0 |
0 |
0.066 |
8 |
|
C |
59 |
16 |
12029 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
59 |
16 |
12029 |
493.1 |
-6.5 |
0.306 |
0 |
0 |
0 |
0.066 |
Average: |
498.6 |
-6.8 |
0.299 |
0 |
0 |
0 |
0.066 |
3 |
9 |
|
C |
40 |
11 |
12029 |
◊ |
C |
x,-y,-z |
4_555 |
40 |
11 |
12029 |
369.7 |
4.4 |
0.948 |
8 |
6 |
0 |
0.000 |
4 |
10 |
|
[F6R]B:301 |
15 |
1 |
397 |
cf |
B |
x,y,z |
1_555 |
31 |
17 |
12078 |
238.2 |
-1.3 |
0.742 |
11 |
0 |
0 |
0.562 |
11 |
|
[F6R]E:301 |
15 |
1 |
396 |
cf |
E |
x,y,z |
1_555 |
29 |
16 |
12035 |
236.6 |
-1.5 |
0.724 |
11 |
0 |
0 |
0.562 |
12 |
|
[F6R]A:301 |
15 |
1 |
396 |
cf |
A |
x,y,z |
1_555 |
30 |
15 |
11899 |
235.8 |
-1.4 |
0.751 |
10 |
0 |
0 |
0.562 |
Average: |
236.9 |
-1.4 |
0.739 |
11 |
0 |
0 |
0.562 |
5 |
13 |
|
[F6R]D:301 |
15 |
1 |
395 |
cf |
D |
x,y,z |
1_555 |
31 |
16 |
12021 |
236.3 |
-1.4 |
0.731 |
11 |
0 |
0 |
0.675 |
6 |
14 |
|
[F6R]C:301 |
15 |
1 |
395 |
cf |
C |
x,y,z |
1_555 |
30 |
16 |
12029 |
234.6 |
-1.1 |
0.738 |
10 |
0 |
0 |
0.645 |
7 |
15 |
|
E |
22 |
8 |
12035 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
22 |
8 |
12035 |
199.0 |
1.0 |
0.819 |
2 |
0 |
0 |
0.003 |
16 |
|
D |
22 |
8 |
12021 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
20 |
8 |
11899 |
174.5 |
0.7 |
0.782 |
2 |
0 |
0 |
0.003 |
17 |
|
C |
20 |
8 |
12029 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
22 |
9 |
12078 |
159.3 |
0.1 |
0.707 |
2 |
0 |
0 |
0.003 |
Average: |
177.6 |
0.6 |
0.769 |
2 |
0 |
0 |
0.003 |
8 |
18 |
|
D |
30 |
11 |
12021 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
18 |
6 |
12078 |
178.4 |
2.1 |
0.853 |
0 |
1 |
0 |
0.000 |
9 |
19 |
|
E |
18 |
7 |
12035 |
◊ |
E |
x,-y-1,-z |
4_545 |
18 |
7 |
12035 |
168.0 |
3.1 |
0.937 |
4 |
2 |
0 |
0.000 |
10 |
20 |
|
D |
13 |
5 |
12021 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
17 |
6 |
11899 |
140.2 |
1.3 |
0.816 |
0 |
2 |
0 |
0.000 |
11 |
21 |
|
A |
15 |
5 |
11899 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
14 |
5 |
11899 |
115.7 |
-1.5 |
0.431 |
0 |
0 |
0 |
0.016 |
22 |
|
D |
15 |
5 |
12021 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
16 |
5 |
12029 |
110.0 |
-1.5 |
0.444 |
0 |
0 |
0 |
0.016 |
23 |
|
E |
14 |
5 |
12035 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
10 |
4 |
12078 |
99.8 |
-2.0 |
0.328 |
0 |
0 |
0 |
0.016 |
Average: |
108.5 |
-1.7 |
0.401 |
0 |
0 |
0 |
0.016 |
12 |
24 |
|
C |
9 |
4 |
12029 |
◊ |
D |
-x,-y,z-1/2 |
2_554 |
11 |
3 |
12021 |
106.4 |
0.4 |
0.735 |
1 |
2 |
0 |
0.000 |
13 |
25 |
|
[ACT]A:304 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
11899 |
97.1 |
-1.0 |
0.604 |
1 |
0 |
0 |
0.142 |
26 |
|
[ACT]E:304 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
12035 |
93.5 |
-1.0 |
0.599 |
1 |
0 |
0 |
0.142 |
Average: |
95.3 |
-1.0 |
0.601 |
1 |
0 |
0 |
0.142 |
14 |
27 |
|
[ACT]A:303 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
17 |
5 |
12035 |
93.8 |
-1.0 |
0.615 |
0 |
0 |
0 |
0.009 |
15 |
28 |
|
E |
12 |
4 |
12035 |
◊ |
C |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
9 |
3 |
12029 |
84.1 |
0.6 |
0.745 |
1 |
1 |
0 |
0.000 |
16 |
29 |
|
C |
12 |
6 |
12029 |
◊ |
B |
x,-y,-z |
4_555 |
8 |
5 |
12078 |
78.3 |
2.2 |
0.898 |
2 |
2 |
0 |
0.000 |
17 |
30 |
|
[GOL]A:302 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11899 |
70.6 |
-0.4 |
0.459 |
4 |
0 |
0 |
0.262 |
31 |
|
[GOL]B:302 |
6 |
1 |
219 |
f |
D |
-x,y,-z+1/2 |
3_555 |
16 |
7 |
12021 |
69.8 |
-0.4 |
0.517 |
4 |
0 |
0 |
0.262 |
32 |
|
[GOL]C:302 |
5 |
1 |
217 |
f |
C |
-x,y,-z+1/2 |
3_555 |
16 |
7 |
12029 |
64.9 |
-0.5 |
0.479 |
4 |
0 |
0 |
0.262 |
33 |
|
[GOL]E:302 |
5 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
12035 |
63.0 |
0.1 |
0.634 |
4 |
0 |
0 |
0.262 |
Average: |
67.1 |
-0.3 |
0.522 |
4 |
0 |
0 |
0.262 |
18 |
34 |
|
[GOL]B:302 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
12078 |
66.9 |
-0.5 |
0.446 |
2 |
0 |
0 |
0.022 |
35 |
|
[GOL]A:302 |
6 |
1 |
220 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
16 |
7 |
12035 |
66.5 |
-0.5 |
0.471 |
2 |
0 |
0 |
0.022 |
36 |
|
[GOL]E:302 |
6 |
1 |
220 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
15 |
7 |
11899 |
64.5 |
-0.6 |
0.440 |
2 |
0 |
0 |
0.022 |
37 |
|
[GOL]C:302 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
12029 |
64.2 |
-0.6 |
0.478 |
2 |
0 |
0 |
0.022 |
Average: |
65.5 |
-0.6 |
0.459 |
2 |
0 |
0 |
0.022 |
19 |
38 |
|
[GOL]D:302 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
18 |
7 |
12021 |
66.0 |
-0.6 |
0.453 |
2 |
0 |
0 |
0.006 |
20 |
39 |
|
[ACT]E:303 |
4 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
12035 |
65.5 |
-0.0 |
0.738 |
2 |
0 |
0 |
0.006 |
40 |
|
[ACT]B:303 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12078 |
63.0 |
-0.0 |
0.727 |
1 |
0 |
0 |
0.006 |
Average: |
64.2 |
-0.0 |
0.732 |
2 |
0 |
0 |
0.006 |
21 |
41 |
|
[ACT]B:303 |
4 |
1 |
182 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
10 |
4 |
12021 |
63.9 |
-0.1 |
0.726 |
2 |
0 |
0 |
0.107 |
42 |
|
[ACT]E:303 |
4 |
1 |
182 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
9 |
4 |
11899 |
61.0 |
-0.1 |
0.726 |
2 |
0 |
0 |
0.107 |
Average: |
62.4 |
-0.1 |
0.726 |
2 |
0 |
0 |
0.107 |
22 |
43 |
|
[ACT]C:303 |
4 |
1 |
180 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
12029 |
63.0 |
-0.0 |
0.734 |
2 |
0 |
0 |
0.109 |
23 |
44 |
|
[ACT]C:303 |
4 |
1 |
180 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
10 |
4 |
12029 |
62.7 |
-0.0 |
0.737 |
2 |
0 |
0 |
0.107 |
24 |
45 |
|
[GOL]D:302 |
6 |
1 |
219 |
f |
B |
-x,y,-z+1/2 |
3_555 |
13 |
6 |
12078 |
62.3 |
0.2 |
0.693 |
4 |
0 |
0 |
0.021 |
25 |
46 |
|
[GOL]E:302 |
6 |
1 |
220 |
◊ |
[GOL]A:302 |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
220 |
61.2 |
-0.4 |
0.442 |
0 |
0 |
0 |
0.003 |
47 |
|
[GOL]C:302 |
6 |
1 |
217 |
◊ |
[GOL]C:302 |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
217 |
59.5 |
-0.5 |
0.436 |
0 |
0 |
0 |
0.003 |
Average: |
60.4 |
-0.5 |
0.439 |
0 |
0 |
0 |
0.003 |
26 |
48 |
|
[GOL]D:302 |
6 |
1 |
219 |
◊ |
[GOL]B:302 |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
219 |
60.1 |
-0.5 |
0.486 |
0 |
0 |
0 |
0.002 |
27 |
49 |
|
E |
5 |
1 |
12035 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
4 |
1 |
12078 |
40.0 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
28 |
50 |
|
[ACT]A:303 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11899 |
34.8 |
0.7 |
0.873 |
1 |
0 |
0 |
0.000 |
29 |
51 |
|
E |
5 |
3 |
12035 |
◊ |
D |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
3 |
2 |
12021 |
34.0 |
0.5 |
0.498 |
0 |
0 |
0 |
0.000 |
30 |
52 |
|
[F6R]C:301 |
3 |
1 |
395 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12021 |
25.3 |
-1.2 |
0.366 |
0 |
0 |
0 |
0.005 |
31 |
53 |
|
B |
3 |
1 |
12078 |
◊ |
D |
-x,-y,z-1/2 |
2_554 |
5 |
1 |
12021 |
24.8 |
-0.6 |
0.388 |
0 |
0 |
0 |
0.000 |
32 |
54 |
|
[F6R]D:301 |
3 |
1 |
395 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
12035 |
22.8 |
-1.0 |
0.401 |
0 |
0 |
0 |
0.004 |
33 |
55 |
|
[F6R]A:301 |
3 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12078 |
22.3 |
-1.0 |
0.411 |
0 |
0 |
0 |
0.012 |
56 |
|
[F6R]B:301 |
3 |
1 |
397 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12029 |
22.1 |
-1.0 |
0.349 |
0 |
0 |
0 |
0.012 |
57 |
|
[F6R]E:301 |
3 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11899 |
21.2 |
-0.8 |
0.420 |
0 |
0 |
0 |
0.012 |
Average: |
21.8 |
-0.9 |
0.393 |
0 |
0 |
0 |
0.012 |
34 |
58 |
|
[ACT]B:303 |
2 |
1 |
182 |
◊ |
[GOL]D:302 |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
219 |
8.6 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
35 |
59 |
|
[ACT]B:303 |
2 |
1 |
182 |
◊ |
[GOL]B:302 |
x,y,z |
1_555 |
2 |
1 |
219 |
8.4 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
60 |
|
[ACT]E:303 |
2 |
1 |
182 |
◊ |
[GOL]A:302 |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
220 |
8.1 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
Average: |
8.2 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
[ACT]E:303 |
2 |
1 |
182 |
◊ |
[GOL]E:302 |
x,y,z |
1_555 |
2 |
1 |
220 |
8.2 |
0.2 |
0.661 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
[ACT]C:303 |
2 |
1 |
180 |
◊ |
[GOL]C:302 |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
217 |
5.8 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
38 |
63 |
|
[ACT]C:303 |
2 |
1 |
180 |
◊ |
[GOL]C:302 |
x,y,z |
1_555 |
2 |
1 |
217 |
5.7 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
39 |
64 |
|
B |
1 |
1 |
12078 |
◊ |
B |
x,-y,-z |
4_555 |
1 |
1 |
12078 |
5.7 |
0.4 |
0.877 |
0 |
0 |
0 |
0.000 |
|