| ## |
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 |
152 |
43 |
17544 |
◊ |
A |
x,y,z |
1_555 |
148 |
45 |
18037 |
1473.9 |
-11.0 |
0.145 |
16 |
10 |
0 |
0.410 |
2 |
|
C |
152 |
42 |
17791 |
◊ |
B |
x,y,z |
1_555 |
149 |
47 |
17544 |
1454.7 |
-11.3 |
0.147 |
17 |
10 |
0 |
0.410 |
3 |
|
C |
154 |
47 |
17791 |
◊ |
A |
x,y,z |
1_555 |
152 |
42 |
18037 |
1444.1 |
-10.8 |
0.168 |
16 |
9 |
0 |
0.410 |
| Average: |
1457.5 |
-11.0 |
0.153 |
16 |
10 |
0 |
0.410 |
| 2 |
4 |
|
D |
64 |
18 |
5800 |
◊ |
A |
x,y,z |
1_555 |
73 |
19 |
18037 |
616.3 |
-0.9 |
0.542 |
9 |
5 |
0 |
0.015 |
5 |
|
E |
60 |
16 |
6040 |
◊ |
B |
x,y,z |
1_555 |
66 |
19 |
17544 |
536.8 |
-2.8 |
0.414 |
10 |
3 |
0 |
0.015 |
| Average: |
576.6 |
-1.9 |
0.478 |
10 |
4 |
0 |
0.015 |
| 3 |
6 |
|
F |
59 |
15 |
5519 |
◊ |
C |
x,y,z |
1_555 |
63 |
18 |
17791 |
530.6 |
-2.5 |
0.419 |
9 |
3 |
0 |
0.000 |
| 4 |
7 |
|
E |
47 |
12 |
6040 |
◊ |
A |
x-1,y,z |
1_455 |
51 |
22 |
18037 |
505.7 |
-6.8 |
0.132 |
3 |
2 |
0 |
0.005 |
| 5 |
8 |
|
F |
49 |
17 |
5519 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
55 |
18 |
17791 |
391.9 |
-0.6 |
0.658 |
4 |
0 |
0 |
0.000 |
| 6 |
9 |
|
F |
46 |
19 |
5519 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
18037 |
385.3 |
1.6 |
0.771 |
9 |
2 |
0 |
0.000 |
10 |
|
E |
42 |
18 |
6040 |
◊ |
C |
x,y,z |
1_555 |
38 |
9 |
17791 |
357.1 |
1.4 |
0.720 |
10 |
3 |
0 |
0.000 |
11 |
|
D |
42 |
17 |
5800 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
17544 |
292.4 |
2.3 |
0.812 |
8 |
3 |
0 |
0.000 |
| Average: |
345.0 |
1.8 |
0.767 |
9 |
3 |
0 |
0.000 |
| 7 |
12 |
|
B |
28 |
13 |
17544 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
30 |
12 |
17791 |
271.0 |
-2.6 |
0.296 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
A |
29 |
9 |
18037 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
7 |
17791 |
263.7 |
-0.4 |
0.590 |
3 |
5 |
0 |
0.000 |
| 9 |
14 |
|
B |
25 |
8 |
17544 |
◊ |
F |
x,y,z-1 |
1_554 |
25 |
8 |
5519 |
231.4 |
0.6 |
0.712 |
2 |
2 |
0 |
0.000 |
| 10 |
15 |
|
[9CA]C:2002 |
13 |
1 |
329 |
f |
C |
x,y,z |
1_555 |
33 |
19 |
17791 |
211.4 |
6.3 |
0.149 |
1 |
0 |
0 |
0.000 |
16 |
|
[9CA]B:2001 |
13 |
1 |
328 |
f |
B |
x,y,z |
1_555 |
32 |
18 |
17544 |
209.7 |
6.4 |
0.152 |
1 |
0 |
0 |
0.000 |
| Average: |
210.6 |
6.3 |
0.150 |
1 |
0 |
0 |
0.000 |
| 11 |
17 |
|
E |
17 |
6 |
6040 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
18 |
6 |
17544 |
158.8 |
0.4 |
0.692 |
4 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[FES]A:401 |
4 |
1 |
239 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
18037 |
118.4 |
-15.8 |
0.616 |
2 |
0 |
0 |
0.347 |
19 |
|
[FES]B:401 |
4 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
17544 |
118.4 |
-15.8 |
0.623 |
2 |
0 |
0 |
0.347 |
20 |
|
[FES]C:401 |
4 |
1 |
240 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
17791 |
118.1 |
-15.8 |
0.627 |
2 |
0 |
0 |
0.347 |
| Average: |
118.3 |
-15.8 |
0.622 |
2 |
0 |
0 |
0.347 |
| 13 |
21 |
|
[FES]F:201 |
4 |
1 |
238 |
f |
F |
x,y,z |
1_555 |
18 |
10 |
5519 |
117.5 |
-15.2 |
0.636 |
1 |
0 |
0 |
0.100 |
22 |
|
[FES]E:201 |
4 |
1 |
239 |
f |
E |
x,y,z |
1_555 |
18 |
10 |
6040 |
117.2 |
-15.3 |
0.636 |
1 |
0 |
0 |
0.100 |
23 |
|
[FES]D:201 |
4 |
1 |
234 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
5800 |
113.4 |
-15.0 |
0.648 |
1 |
0 |
0 |
0.100 |
| Average: |
116.1 |
-15.1 |
0.640 |
1 |
0 |
0 |
0.100 |
| 14 |
24 |
|
D |
6 |
4 |
5800 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
5519 |
115.1 |
1.0 |
0.596 |
2 |
1 |
0 |
0.000 |
| 15 |
25 |
|
E |
11 |
3 |
6040 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
4 |
5800 |
83.1 |
-0.1 |
0.560 |
1 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[FE2]A:501 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
18037 |
72.2 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.267 |
27 |
|
[FE2]C:501 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
17791 |
60.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.267 |
28 |
|
[FE2]B:501 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
17544 |
60.2 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.267 |
| Average: |
64.3 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.267 |
| 17 |
29 |
|
E |
6 |
2 |
6040 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
17544 |
67.2 |
-1.9 |
0.144 |
0 |
0 |
0 |
0.001 |
| 18 |
30 |
|
F |
9 |
6 |
5519 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
18037 |
67.1 |
-0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
D |
4 |
2 |
5800 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
4 |
2 |
17544 |
49.3 |
-0.3 |
0.358 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
B |
10 |
5 |
17544 |
x |
B |
-x,y-1/2,-z |
2_545 |
5 |
3 |
17544 |
48.1 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
E |
6 |
2 |
6040 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
5519 |
45.2 |
-0.6 |
0.389 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
A |
4 |
2 |
18037 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
18037 |
32.6 |
0.4 |
0.692 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[9CA]B:2001 |
9 |
1 |
328 |
f |
[FE2]B:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.7 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.035 |
36 |
|
[9CA]C:2002 |
9 |
1 |
329 |
f |
[FE2]C:501 |
x,y,z |
1_555 |
1 |
1 |
137 |
28.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
28.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.035 |
| 24 |
37 |
|
C |
4 |
3 |
17791 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
17791 |
25.5 |
0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
B |
4 |
2 |
17544 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
2 |
17791 |
23.5 |
0.4 |
0.720 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[FES]F:201 |
2 |
1 |
238 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
17791 |
21.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.004 |
40 |
|
[FES]E:201 |
3 |
1 |
239 |
◊ |
B |
x,y,z |
1_555 |
4 |
4 |
17544 |
21.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.004 |
41 |
|
[FES]D:201 |
3 |
1 |
234 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
18037 |
21.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
21.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.004 |
| 27 |
42 |
|
[FES]C:401 |
3 |
1 |
240 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17544 |
12.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.023 |
43 |
|
[FES]A:401 |
3 |
1 |
239 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17791 |
11.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
44 |
|
[FES]B:401 |
3 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18037 |
9.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
11.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| 28 |
45 |
|
C |
1 |
1 |
17791 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
18037 |
5.5 |
0.2 |
0.805 |
0 |
0 |
0 |
0.000 |
|