| ## |
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 |
|
B |
103 |
34 |
14429 |
◊ |
A |
x,y,z |
1_555 |
110 |
33 |
14203 |
897.8 |
-8.4 |
0.318 |
7 |
4 |
0 |
0.004 |
| 2 |
2 |
|
D |
33 |
4 |
1055 |
◊ |
B |
x,y,z |
1_555 |
62 |
26 |
14429 |
408.7 |
-4.7 |
0.271 |
6 |
2 |
0 |
0.049 |
3 |
|
C |
32 |
4 |
1052 |
◊ |
A |
x,y,z |
1_555 |
69 |
27 |
14203 |
408.4 |
-4.6 |
0.306 |
5 |
2 |
0 |
0.049 |
| Average: |
408.5 |
-4.7 |
0.289 |
6 |
2 |
0 |
0.049 |
| 3 |
4 |
|
B |
46 |
12 |
14429 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
38 |
11 |
14203 |
363.9 |
0.2 |
0.553 |
5 |
3 |
0 |
0.000 |
5 |
|
B |
39 |
11 |
14429 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
43 |
12 |
14203 |
325.8 |
-0.7 |
0.580 |
3 |
4 |
0 |
0.000 |
| Average: |
344.9 |
-0.2 |
0.567 |
4 |
4 |
0 |
0.000 |
| 4 |
6 |
|
B |
42 |
15 |
14429 |
x |
B |
x-1,y,z |
1_455 |
30 |
8 |
14429 |
350.7 |
-1.2 |
0.573 |
3 |
1 |
0 |
0.000 |
| 5 |
7 |
|
A |
27 |
10 |
14203 |
x |
A |
x-1,y,z |
1_455 |
23 |
6 |
14203 |
224.3 |
-1.6 |
0.477 |
1 |
0 |
0 |
0.000 |
| 6 |
8 |
|
D |
13 |
3 |
1055 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
14203 |
157.1 |
-1.9 |
0.461 |
2 |
0 |
0 |
0.000 |
9 |
|
C |
12 |
2 |
1052 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
14429 |
153.9 |
-1.9 |
0.438 |
2 |
0 |
0 |
0.000 |
| Average: |
155.5 |
-1.9 |
0.449 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
12 |
4 |
14429 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
13 |
4 |
14429 |
126.7 |
1.4 |
0.712 |
1 |
2 |
0 |
0.000 |
| 8 |
11 |
|
[K]B:403 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
14429 |
112.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.701 |
12 |
|
[K]A:403 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
14203 |
111.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.701 |
| Average: |
111.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.701 |
| 9 |
13 |
|
[MCM]D:601 |
13 |
1 |
333 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14429 |
107.3 |
1.9 |
0.028 |
2 |
0 |
0 |
0.000 |
14 |
|
[MCM]C:601 |
13 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
14203 |
106.0 |
2.1 |
0.040 |
3 |
0 |
0 |
0.000 |
| Average: |
106.7 |
2.0 |
0.034 |
3 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[MCM]C:601 |
12 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
14429 |
106.1 |
1.8 |
0.099 |
0 |
0 |
0 |
0.000 |
16 |
|
[MCM]D:601 |
12 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
14203 |
105.2 |
2.0 |
0.093 |
0 |
0 |
0 |
0.000 |
| Average: |
105.7 |
1.9 |
0.096 |
0 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[GOL]D:602 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
14429 |
102.1 |
0.1 |
0.595 |
3 |
0 |
0 |
0.008 |
| 12 |
18 |
|
[GOL]A:404 |
6 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
14203 |
100.2 |
0.7 |
0.734 |
3 |
0 |
0 |
0.000 |
| 13 |
19 |
|
B |
12 |
5 |
14429 |
f |
[GOL]A:404 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
215 |
70.9 |
-1.0 |
0.467 |
0 |
0 |
0 |
0.006 |
| 14 |
20 |
|
A |
7 |
3 |
14203 |
x |
A |
-x,y-1/2,-z |
2_545 |
8 |
2 |
14203 |
70.4 |
0.7 |
0.671 |
1 |
1 |
0 |
0.000 |
| 15 |
21 |
|
[ACE]C:501 |
3 |
1 |
170 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
1052 |
66.3 |
-0.2 |
0.778 |
2 |
0 |
0 |
0.142 |
| 16 |
22 |
|
[ACE]D:501 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
6 |
2 |
1055 |
65.6 |
-0.2 |
0.782 |
2 |
0 |
0 |
0.139 |
| 17 |
23 |
|
[MCM]D:601 |
12 |
1 |
333 |
◊ |
[MCM]C:601 |
x,y,z |
1_555 |
12 |
1 |
334 |
57.9 |
3.4 |
0.001 |
0 |
0 |
0 |
0.000 |
| 18 |
24 |
|
[GOL]D:602 |
5 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
1055 |
57.1 |
-0.0 |
0.580 |
2 |
0 |
0 |
0.006 |
| 19 |
25 |
|
[MCM]C:601 |
4 |
1 |
334 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
1052 |
45.2 |
0.3 |
0.199 |
0 |
0 |
0 |
0.000 |
26 |
|
[MCM]D:601 |
4 |
1 |
333 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
1055 |
44.9 |
0.3 |
0.188 |
0 |
0 |
0 |
0.000 |
| Average: |
45.0 |
0.3 |
0.193 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14429 |
38.5 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.178 |
28 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
14203 |
38.2 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.178 |
| Average: |
38.4 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.178 |
| 21 |
29 |
|
B |
6 |
3 |
14429 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
4 |
14203 |
36.0 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[ACE]D:501 |
3 |
1 |
172 |
◊ |
[GOL]D:602 |
x,y,z |
1_555 |
4 |
1 |
217 |
32.7 |
-0.2 |
0.679 |
0 |
0 |
0 |
0.001 |
| 23 |
31 |
|
[ZN]B:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1055 |
26.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.076 |
32 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
1052 |
26.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
26.5 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.076 |
| 24 |
33 |
|
[ACE]C:501 |
1 |
1 |
170 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14203 |
12.3 |
0.3 |
0.760 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[ACE]D:501 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14429 |
11.3 |
0.3 |
0.761 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[MCM]D:601 |
1 |
1 |
333 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
1052 |
10.6 |
0.3 |
0.531 |
0 |
0 |
0 |
0.000 |
36 |
|
[MCM]C:601 |
1 |
1 |
334 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1055 |
9.5 |
0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
| Average: |
10.1 |
0.3 |
0.554 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[ACE]D:501 |
1 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14203 |
3.3 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[ACE]C:501 |
1 |
1 |
170 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14429 |
2.2 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
B |
1 |
1 |
14429 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
14203 |
1.1 |
0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
|