| ## |
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 |
200 |
52 |
15323 |
◊ |
A |
x,y,z |
1_555 |
217 |
64 |
15305 |
2050.1 |
-20.4 |
0.177 |
37 |
9 |
0 |
0.638 |
2 |
|
C |
195 |
50 |
15165 |
◊ |
B |
x,y,z |
1_555 |
208 |
59 |
15323 |
2005.2 |
-19.1 |
0.229 |
37 |
13 |
0 |
0.638 |
3 |
|
C |
207 |
59 |
15165 |
◊ |
A |
x,y,z |
1_555 |
190 |
50 |
15305 |
1971.7 |
-19.1 |
0.188 |
36 |
12 |
0 |
0.638 |
| Average: |
2009.0 |
-19.5 |
0.198 |
37 |
11 |
0 |
0.638 |
| 2 |
4 |
|
A |
93 |
37 |
15305 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
98 |
34 |
15165 |
852.7 |
-3.4 |
0.671 |
5 |
9 |
0 |
0.000 |
| 3 |
5 |
|
B |
53 |
17 |
15323 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
48 |
18 |
15305 |
415.7 |
-1.9 |
0.615 |
3 |
1 |
0 |
0.000 |
| 4 |
6 |
|
A |
28 |
9 |
15305 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
39 |
14 |
15323 |
295.8 |
-2.0 |
0.430 |
1 |
1 |
0 |
0.000 |
| 5 |
7 |
|
C |
19 |
8 |
15165 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
7 |
15323 |
235.8 |
-2.1 |
0.388 |
1 |
2 |
0 |
0.000 |
| 6 |
8 |
|
B |
28 |
10 |
15323 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
6 |
15323 |
219.8 |
-2.1 |
0.451 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
19 |
7 |
15305 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
8 |
15165 |
133.5 |
-1.4 |
0.444 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
[ACT]C:1507 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
28 |
13 |
15165 |
132.5 |
-1.2 |
0.598 |
1 |
0 |
0 |
0.009 |
| 9 |
11 |
|
B |
13 |
4 |
15323 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
3 |
15305 |
117.6 |
-0.2 |
0.564 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[ACT]C:1509 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
15165 |
102.0 |
-1.0 |
0.583 |
2 |
0 |
0 |
0.011 |
| 11 |
13 |
|
B |
12 |
5 |
15323 |
x |
B |
x-1,y,z |
1_455 |
9 |
3 |
15323 |
101.6 |
-0.2 |
0.622 |
0 |
1 |
0 |
0.000 |
| 12 |
14 |
|
[ACT]B:1503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
15323 |
98.1 |
-1.0 |
0.573 |
2 |
0 |
0 |
0.013 |
| 13 |
15 |
|
[ACT]B:1505 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
15323 |
94.4 |
-0.4 |
0.665 |
2 |
0 |
0 |
0.019 |
16 |
|
[ACT]C:1508 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
15165 |
93.4 |
-0.4 |
0.661 |
2 |
0 |
0 |
0.019 |
17 |
|
[ACT]A:1510 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
15305 |
78.7 |
-0.4 |
0.647 |
1 |
0 |
0 |
0.019 |
| Average: |
88.8 |
-0.4 |
0.658 |
2 |
0 |
0 |
0.019 |
| 14 |
18 |
|
C |
10 |
3 |
15165 |
x |
C |
x-1,y,z |
1_455 |
11 |
4 |
15165 |
75.7 |
0.4 |
0.709 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[TRS]B:1501 |
4 |
1 |
231 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15305 |
70.1 |
1.8 |
0.378 |
2 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[ACT]B:1504 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
15323 |
68.9 |
0.1 |
0.696 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[TRS]B:1501 |
3 |
1 |
231 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
15323 |
68.0 |
2.0 |
0.564 |
2 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[TRS]B:1501 |
3 |
1 |
231 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
15165 |
67.4 |
2.2 |
0.585 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[ACT]C:1508 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
15305 |
53.4 |
-0.2 |
0.700 |
0 |
0 |
0 |
0.005 |
24 |
|
[ACT]B:1505 |
3 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
15165 |
52.8 |
-0.3 |
0.689 |
0 |
0 |
0 |
0.005 |
25 |
|
[ACT]A:1510 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
15323 |
46.5 |
-0.3 |
0.675 |
0 |
0 |
0 |
0.005 |
| Average: |
50.9 |
-0.3 |
0.688 |
0 |
0 |
0 |
0.005 |
| 20 |
26 |
|
[ACT]B:1504 |
3 |
1 |
183 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
10 |
4 |
15305 |
52.9 |
-0.7 |
0.633 |
0 |
0 |
0 |
0.006 |
| 21 |
27 |
|
A |
3 |
1 |
15305 |
◊ |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
7 |
2 |
15323 |
48.8 |
-0.9 |
0.208 |
0 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[NO]B:503 |
2 |
1 |
132 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
15165 |
46.8 |
-2.0 |
0.540 |
1 |
0 |
0 |
0.014 |
| 23 |
29 |
|
[ACT]B:1506 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
15323 |
46.3 |
-1.1 |
0.485 |
0 |
0 |
0 |
0.008 |
| 24 |
30 |
|
[NO]A:1511 |
2 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
15323 |
46.0 |
-2.0 |
0.534 |
1 |
0 |
0 |
0.014 |
| 25 |
31 |
|
[NO]A:1511 |
2 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
15305 |
43.9 |
-1.4 |
0.519 |
0 |
0 |
0 |
0.013 |
| 26 |
32 |
|
A |
5 |
2 |
15305 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
15323 |
42.6 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[NO]B:503 |
2 |
1 |
132 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
15323 |
42.3 |
-1.3 |
0.530 |
0 |
0 |
0 |
0.009 |
| 28 |
34 |
|
[ACT]B:1506 |
3 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
15165 |
41.0 |
-1.0 |
0.471 |
0 |
0 |
0 |
0.005 |
| 29 |
35 |
|
[CU1]B:504 |
1 |
1 |
125 |
f |
[CU1]B:501 |
x,y,z |
1_555 |
1 |
1 |
125 |
40.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.100 |
| 30 |
36 |
|
[CU1]C:504 |
1 |
1 |
125 |
f |
[CU1]C:501 |
x,y,z |
1_555 |
1 |
1 |
125 |
39.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.100 |
| 31 |
37 |
|
[NO]A:503 |
2 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
15305 |
38.4 |
-0.7 |
0.666 |
0 |
0 |
0 |
0.004 |
| 32 |
38 |
|
[CU]A:502 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
15323 |
37.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.079 |
39 |
|
[CU]B:502 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
15165 |
37.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.079 |
40 |
|
[CU]C:502 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15305 |
32.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.079 |
| Average: |
35.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.079 |
| 33 |
41 |
|
[NO]A:503 |
2 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
15165 |
37.4 |
-1.7 |
0.553 |
0 |
0 |
0 |
0.010 |
| 34 |
42 |
|
[CU]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15305 |
37.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.090 |
43 |
|
[CU]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
15323 |
37.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.090 |
44 |
|
[CU]C:502 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
15165 |
32.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
35.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.090 |
| 35 |
45 |
|
B |
6 |
2 |
15323 |
◊ |
[ACT]A:1510 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
183 |
36.4 |
-0.7 |
0.371 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[NO]C:505 |
2 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
15165 |
35.7 |
-0.9 |
0.538 |
0 |
0 |
0 |
0.005 |
| 37 |
47 |
|
[ACT]B:1506 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
15305 |
34.7 |
-0.3 |
0.513 |
0 |
0 |
0 |
0.002 |
| 38 |
48 |
|
[NO]C:505 |
2 |
1 |
133 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
15305 |
33.9 |
-1.6 |
0.543 |
1 |
0 |
0 |
0.011 |
| 39 |
49 |
|
[NO]C:505 |
2 |
1 |
133 |
f |
[NO]A:503 |
x,y,z |
1_555 |
2 |
1 |
133 |
26.5 |
-1.8 |
0.750 |
0 |
0 |
0 |
0.010 |
| 40 |
50 |
|
[NO]B:503 |
2 |
1 |
132 |
f |
[CU]B:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 41 |
51 |
|
[NO]A:1511 |
2 |
1 |
133 |
f |
[CU]A:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.044 |
52 |
|
[NO]C:505 |
2 |
1 |
133 |
f |
[CU]C:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.044 |
53 |
|
[NO]A:503 |
2 |
1 |
133 |
f |
[CU]C:502 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.044 |
| Average: |
22.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.044 |
| 42 |
54 |
|
A |
1 |
1 |
15305 |
x |
A |
x-1,y,z |
1_455 |
1 |
1 |
15305 |
4.9 |
-0.2 |
0.324 |
0 |
0 |
0 |
0.000 |
|