| ## |
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 |
188 |
48 |
19193 |
◊ |
C |
x,y,z |
1_555 |
199 |
50 |
19987 |
1788.4 |
-7.9 |
0.728 |
16 |
0 |
0 |
0.168 |
2 |
|
B |
191 |
48 |
19377 |
◊ |
A |
x,y,z |
1_555 |
196 |
49 |
19928 |
1763.9 |
-9.7 |
0.663 |
17 |
0 |
0 |
0.168 |
| Average: |
1776.2 |
-8.8 |
0.695 |
17 |
0 |
0 |
0.168 |
| 2 |
3 |
|
C |
69 |
21 |
19987 |
◊ |
A |
x,y,z |
1_555 |
67 |
16 |
19928 |
648.6 |
-5.9 |
0.407 |
5 |
7 |
0 |
0.041 |
| 3 |
4 |
|
D |
47 |
13 |
19193 |
◊ |
B |
x,y,z |
1_555 |
52 |
15 |
19377 |
484.6 |
-3.0 |
0.489 |
6 |
5 |
0 |
0.029 |
| 4 |
5 |
|
[DG3]A:1585 |
28 |
1 |
594 |
f |
A |
x,y,z |
1_555 |
69 |
26 |
19928 |
415.5 |
-2.6 |
0.367 |
8 |
0 |
0 |
0.128 |
6 |
|
[DG3]C:1585 |
29 |
1 |
599 |
f |
C |
x,y,z |
1_555 |
63 |
25 |
19987 |
412.5 |
-1.3 |
0.481 |
13 |
0 |
0 |
0.128 |
7 |
|
[DG3]B:1587 |
28 |
1 |
597 |
f |
B |
x,y,z |
1_555 |
61 |
23 |
19377 |
400.8 |
-2.2 |
0.355 |
10 |
0 |
0 |
0.128 |
8 |
|
[DG3]D:1586 |
29 |
1 |
602 |
f |
D |
x,y,z |
1_555 |
61 |
23 |
19193 |
396.9 |
-0.7 |
0.441 |
12 |
0 |
0 |
0.128 |
| Average: |
406.4 |
-1.7 |
0.411 |
11 |
0 |
0 |
0.128 |
| 5 |
9 |
|
A |
40 |
10 |
19928 |
◊ |
B |
x,y,z-1 |
1_554 |
48 |
16 |
19377 |
395.0 |
-2.3 |
0.555 |
3 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[DG3]B:1588 |
19 |
1 |
584 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
19377 |
219.9 |
2.7 |
0.635 |
5 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
22 |
8 |
19193 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
10 |
19377 |
217.9 |
-1.2 |
0.549 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[DG3]D:1583 |
22 |
1 |
597 |
◊ |
C |
x,y,z |
1_555 |
24 |
11 |
19987 |
216.2 |
3.3 |
0.657 |
5 |
0 |
0 |
0.000 |
13 |
|
[DG3]B:1584 |
21 |
1 |
585 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
19928 |
213.3 |
2.8 |
0.655 |
6 |
0 |
0 |
0.000 |
14 |
|
[DG3]D:1587 |
20 |
1 |
592 |
◊ |
D |
x,y,z |
1_555 |
23 |
10 |
19193 |
208.3 |
2.8 |
0.617 |
4 |
0 |
0 |
0.000 |
| Average: |
212.6 |
3.0 |
0.643 |
5 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[DG3]D:1583 |
23 |
1 |
597 |
f |
D |
x,y,z |
1_555 |
31 |
11 |
19193 |
193.1 |
-1.0 |
0.377 |
4 |
0 |
0 |
0.042 |
16 |
|
[DG3]D:1587 |
21 |
1 |
592 |
f |
C |
x,y,z |
1_555 |
29 |
9 |
19987 |
188.8 |
-0.6 |
0.416 |
2 |
0 |
0 |
0.042 |
17 |
|
[DG3]B:1588 |
21 |
1 |
584 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
19928 |
174.8 |
0.4 |
0.490 |
2 |
0 |
0 |
0.042 |
| Average: |
185.6 |
-0.4 |
0.428 |
3 |
0 |
0 |
0.042 |
| 10 |
18 |
|
[DG3]B:1584 |
21 |
1 |
585 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
19377 |
182.4 |
-0.6 |
0.398 |
3 |
0 |
0 |
0.019 |
| 11 |
19 |
|
A |
26 |
8 |
19928 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
17 |
6 |
19987 |
181.9 |
-1.6 |
0.477 |
3 |
0 |
0 |
0.000 |
| 12 |
20 |
|
C |
16 |
4 |
19987 |
◊ |
D |
x,y,z-1 |
1_554 |
24 |
7 |
19193 |
156.6 |
1.0 |
0.823 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
D |
17 |
4 |
19193 |
◊ |
C |
x-1,y,z |
1_455 |
20 |
6 |
19987 |
156.5 |
-0.8 |
0.584 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
12 |
4 |
19928 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
19377 |
84.8 |
0.1 |
0.696 |
1 |
0 |
0 |
0.000 |
| Average: |
120.7 |
-0.3 |
0.640 |
1 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[SO4]A:1586 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19928 |
80.0 |
-10.8 |
0.884 |
2 |
0 |
0 |
0.114 |
| 15 |
24 |
|
[SO4]D:1589 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
19193 |
79.5 |
-11.5 |
0.670 |
1 |
0 |
0 |
0.117 |
| 16 |
25 |
|
[SO4]B:1589 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
19377 |
78.3 |
-9.9 |
0.950 |
3 |
0 |
0 |
0.110 |
| 17 |
26 |
|
[SO4]D:1588 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
19193 |
67.5 |
-8.9 |
0.908 |
1 |
0 |
0 |
0.091 |
| 18 |
27 |
|
B |
11 |
7 |
19377 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
4 |
19987 |
57.3 |
-0.2 |
0.591 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[FE]C:1584 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
19987 |
55.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.192 |
29 |
|
[FE]D:1585 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
19193 |
54.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.192 |
30 |
|
[FE]A:1584 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19928 |
54.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.192 |
31 |
|
[FE]B:1586 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
19377 |
54.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.192 |
| Average: |
54.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.192 |
| 20 |
32 |
|
B |
9 |
4 |
19377 |
◊ |
[SO4]D:1588 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
184 |
54.7 |
-6.8 |
0.835 |
1 |
0 |
0 |
0.000 |
| 21 |
33 |
|
B |
5 |
5 |
19377 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
7 |
4 |
19987 |
51.0 |
1.2 |
0.857 |
1 |
1 |
0 |
0.000 |
| 22 |
34 |
|
[MG]D:1584 |
1 |
1 |
98 |
f |
[DG3]D:1583 |
x,y,z |
1_555 |
8 |
1 |
597 |
48.7 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.139 |
35 |
|
[MG]D:1590 |
1 |
1 |
98 |
f |
[DG3]D:1587 |
x,y,z |
1_555 |
7 |
1 |
592 |
46.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.139 |
36 |
|
[MG]B:1585 |
1 |
1 |
98 |
f |
[DG3]B:1584 |
x,y,z |
1_555 |
5 |
1 |
585 |
38.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.139 |
| Average: |
44.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.139 |
| 23 |
37 |
|
B |
4 |
2 |
19377 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
19193 |
47.5 |
-0.6 |
0.348 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
B |
10 |
4 |
19377 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
5 |
19193 |
46.8 |
-0.5 |
0.462 |
0 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[DG3]C:1585 |
6 |
1 |
599 |
f |
[FE]C:1584 |
x,y,z |
1_555 |
1 |
1 |
137 |
42.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.103 |
40 |
|
[DG3]B:1587 |
5 |
1 |
597 |
f |
[FE]B:1586 |
x,y,z |
1_555 |
1 |
1 |
137 |
42.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.103 |
41 |
|
[DG3]A:1585 |
5 |
1 |
594 |
f |
[FE]A:1584 |
x,y,z |
1_555 |
1 |
1 |
137 |
42.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.103 |
42 |
|
[DG3]D:1586 |
5 |
1 |
602 |
cf |
[FE]D:1585 |
x,y,z |
1_555 |
1 |
1 |
137 |
41.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
42.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.103 |
| 26 |
43 |
|
[MG]B:1590 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
19928 |
41.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.053 |
| 27 |
44 |
|
A |
3 |
2 |
19928 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
19193 |
38.4 |
1.1 |
0.813 |
1 |
2 |
0 |
0.000 |
| 28 |
45 |
|
[MG]B:1590 |
1 |
1 |
98 |
f |
[DG3]B:1588 |
x,y,z |
1_555 |
6 |
1 |
584 |
37.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.057 |
| 29 |
46 |
|
[SO4]B:1589 |
4 |
1 |
185 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
8 |
4 |
19193 |
35.5 |
-4.3 |
0.849 |
1 |
0 |
0 |
0.000 |
| 30 |
47 |
|
A |
4 |
2 |
19928 |
◊ |
B |
x-1,y,z-1 |
1_454 |
5 |
2 |
19377 |
29.9 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
| 31 |
48 |
|
D |
4 |
1 |
19193 |
x |
D |
x-1,y,z |
1_455 |
4 |
2 |
19193 |
29.7 |
-0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
49 |
|
B |
1 |
1 |
19377 |
x |
B |
x-1,y,z |
1_455 |
5 |
2 |
19377 |
23.8 |
-0.5 |
0.211 |
0 |
0 |
0 |
0.000 |
| Average: |
26.7 |
-0.3 |
0.362 |
0 |
0 |
0 |
0.000 |
| 32 |
50 |
|
[MG]D:1584 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
19987 |
18.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.042 |
51 |
|
[MG]D:1590 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19193 |
17.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.042 |
52 |
|
[MG]B:1585 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19928 |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
15.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.042 |
| 33 |
53 |
|
C |
2 |
1 |
19987 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
19377 |
13.9 |
0.7 |
0.865 |
0 |
0 |
0 |
0.000 |
54 |
|
D |
2 |
1 |
19193 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19928 |
9.5 |
-0.2 |
0.314 |
0 |
0 |
0 |
0.000 |
| Average: |
11.7 |
0.2 |
0.590 |
0 |
0 |
0 |
0.000 |
| 34 |
55 |
|
[SO4]A:1586 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19987 |
11.3 |
-1.5 |
0.388 |
0 |
0 |
0 |
0.007 |
| 35 |
56 |
|
A |
4 |
2 |
19928 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
19193 |
10.2 |
-0.1 |
0.386 |
0 |
0 |
0 |
0.000 |
| 36 |
57 |
|
[MG]D:1590 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
19987 |
9.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.020 |
58 |
|
[MG]D:1584 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
19193 |
7.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
8.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.020 |
|