| ## |
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 |
379 |
95 |
14076 |
◊ |
A |
x,y,z |
1_555 |
364 |
84 |
11736 |
3568.4 |
-26.9 |
0.274 |
58 |
20 |
0 |
0.602 |
2 |
|
F |
376 |
97 |
13997 |
◊ |
E |
x,y,z |
1_555 |
360 |
83 |
11678 |
3549.6 |
-28.2 |
0.229 |
55 |
20 |
0 |
0.602 |
3 |
|
D |
379 |
95 |
13975 |
◊ |
C |
x,y,z |
1_555 |
349 |
81 |
11785 |
3544.0 |
-27.3 |
0.242 |
58 |
19 |
0 |
0.602 |
| Average: |
3554.0 |
-27.5 |
0.249 |
57 |
20 |
0 |
0.602 |
| 2 |
4 |
|
F |
163 |
43 |
13997 |
◊ |
F |
-x,y,-z |
3_555 |
164 |
43 |
13997 |
1638.0 |
-30.8 |
0.014 |
6 |
0 |
0 |
0.414 |
5 |
|
D |
167 |
43 |
13975 |
◊ |
D |
x,-y,-z |
4_555 |
167 |
43 |
13975 |
1635.9 |
-31.2 |
0.014 |
8 |
0 |
0 |
0.414 |
6 |
|
B |
165 |
43 |
14076 |
◊ |
B |
-x,-y,z |
2_555 |
164 |
43 |
14076 |
1629.5 |
-30.0 |
0.016 |
6 |
0 |
0 |
0.414 |
| Average: |
1634.5 |
-30.7 |
0.014 |
7 |
0 |
0 |
0.414 |
| 3 |
7 |
|
D |
38 |
11 |
13975 |
◊ |
B |
-x,-y,z |
2_555 |
47 |
18 |
14076 |
413.9 |
-1.9 |
0.441 |
10 |
0 |
0 |
0.120 |
8 |
|
F |
47 |
17 |
13997 |
◊ |
B |
-x,y,-z |
3_555 |
35 |
10 |
14076 |
408.6 |
-2.1 |
0.382 |
10 |
0 |
0 |
0.120 |
9 |
|
F |
34 |
9 |
13997 |
◊ |
D |
x,-y,-z |
4_555 |
40 |
13 |
13975 |
362.1 |
-2.3 |
0.420 |
8 |
0 |
0 |
0.120 |
| Average: |
394.9 |
-2.1 |
0.414 |
9 |
0 |
0 |
0.120 |
| 4 |
10 |
|
F |
35 |
12 |
13997 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
13975 |
316.5 |
-1.9 |
0.591 |
5 |
2 |
0 |
0.087 |
11 |
|
F |
30 |
10 |
13997 |
◊ |
B |
x,y,z |
1_555 |
32 |
11 |
14076 |
314.1 |
-2.0 |
0.553 |
5 |
2 |
0 |
0.087 |
12 |
|
D |
32 |
11 |
13975 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
14076 |
307.3 |
-2.9 |
0.458 |
4 |
0 |
0 |
0.087 |
| Average: |
312.6 |
-2.3 |
0.534 |
5 |
1 |
0 |
0.087 |
| 5 |
13 |
|
C |
30 |
11 |
11785 |
◊ |
A |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
34 |
13 |
11736 |
288.3 |
1.8 |
0.816 |
6 |
1 |
0 |
0.000 |
| 6 |
14 |
|
F |
27 |
7 |
13997 |
◊ |
A |
-x,y,-z |
3_555 |
19 |
4 |
11736 |
220.7 |
-3.1 |
0.182 |
3 |
2 |
0 |
0.044 |
15 |
|
B |
28 |
7 |
14076 |
◊ |
C |
-x,-y,z |
2_555 |
20 |
4 |
11785 |
216.2 |
-2.9 |
0.193 |
3 |
2 |
0 |
0.044 |
16 |
|
D |
27 |
7 |
13975 |
◊ |
E |
x,-y,-z |
4_555 |
18 |
3 |
11678 |
216.2 |
-3.1 |
0.162 |
3 |
2 |
0 |
0.044 |
| Average: |
217.7 |
-3.0 |
0.179 |
3 |
2 |
0 |
0.044 |
| 7 |
17 |
|
A |
28 |
9 |
11736 |
◊ |
C |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
26 |
8 |
11785 |
216.4 |
1.3 |
0.772 |
4 |
0 |
0 |
0.000 |
| 8 |
18 |
|
F |
14 |
7 |
13997 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
11736 |
157.2 |
-2.3 |
0.295 |
0 |
0 |
0 |
0.018 |
19 |
|
B |
15 |
7 |
14076 |
◊ |
C |
x,y,z |
1_555 |
18 |
5 |
11785 |
153.2 |
-2.4 |
0.285 |
0 |
0 |
0 |
0.018 |
20 |
|
D |
15 |
7 |
13975 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
11678 |
144.9 |
-2.3 |
0.301 |
0 |
0 |
0 |
0.018 |
| Average: |
151.8 |
-2.3 |
0.294 |
0 |
0 |
0 |
0.018 |
| 9 |
21 |
|
E |
15 |
6 |
11678 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
11736 |
144.7 |
1.2 |
0.804 |
1 |
3 |
0 |
0.000 |
22 |
|
C |
13 |
4 |
11785 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
11736 |
140.0 |
1.2 |
0.787 |
3 |
3 |
0 |
0.000 |
23 |
|
E |
15 |
4 |
11678 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
11785 |
127.5 |
1.0 |
0.763 |
1 |
2 |
0 |
0.000 |
| Average: |
137.4 |
1.1 |
0.785 |
2 |
3 |
0 |
0.000 |
| 10 |
24 |
|
[BME]D:603 |
4 |
1 |
205 |
◊ |
D |
x,y,z |
1_555 |
21 |
8 |
13975 |
121.0 |
0.7 |
0.639 |
1 |
0 |
0 |
0.000 |
| 11 |
25 |
|
A |
15 |
3 |
11736 |
◊ |
D |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
13 |
4 |
13975 |
113.6 |
-0.3 |
0.536 |
1 |
0 |
0 |
0.000 |
| 12 |
26 |
|
[SO4]D:602 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
13975 |
84.6 |
-11.9 |
0.721 |
3 |
0 |
0 |
0.315 |
| 13 |
27 |
|
[SO4]F:602 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
13 |
6 |
13997 |
82.6 |
-11.6 |
0.728 |
3 |
0 |
0 |
0.315 |
| 14 |
28 |
|
[SO4]B:601 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14076 |
82.3 |
-11.6 |
0.773 |
3 |
0 |
0 |
0.319 |
| 15 |
29 |
|
[SO4]F:602 |
5 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
11678 |
72.9 |
-10.0 |
0.699 |
2 |
0 |
0 |
0.116 |
| 16 |
30 |
|
[SO4]B:601 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11736 |
70.5 |
-9.3 |
0.817 |
1 |
0 |
0 |
0.106 |
| 17 |
31 |
|
[BCT]C:301 |
4 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
11785 |
69.5 |
1.6 |
0.719 |
4 |
0 |
0 |
0.100 |
| 18 |
32 |
|
[SO4]D:602 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
11785 |
68.4 |
-9.9 |
0.572 |
1 |
0 |
0 |
0.110 |
| 19 |
33 |
|
[FE]D:601 |
1 |
1 |
137 |
cf |
D |
x,y,z |
1_555 |
6 |
4 |
13975 |
64.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.279 |
34 |
|
[FE]B:602 |
1 |
1 |
137 |
cf |
B |
x,y,z |
1_555 |
6 |
4 |
14076 |
64.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.279 |
35 |
|
[FE]F:601 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
13997 |
63.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.279 |
| Average: |
64.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.279 |
| 20 |
36 |
|
F |
3 |
1 |
13997 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11785 |
39.9 |
1.0 |
0.887 |
2 |
0 |
0 |
0.000 |
37 |
|
D |
3 |
1 |
13975 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11736 |
39.3 |
0.9 |
0.887 |
2 |
0 |
0 |
0.000 |
38 |
|
B |
3 |
1 |
14076 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
11678 |
38.4 |
0.9 |
0.885 |
2 |
0 |
0 |
0.000 |
| Average: |
39.2 |
0.9 |
0.886 |
2 |
0 |
0 |
0.000 |
| 21 |
39 |
|
C |
7 |
4 |
11785 |
◊ |
B |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
3 |
2 |
14076 |
37.7 |
-0.6 |
0.364 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
E |
6 |
2 |
11678 |
◊ |
A |
x-1/2,-y-1/2,-z-1/2 |
8_444 |
4 |
1 |
11736 |
37.0 |
0.2 |
0.670 |
0 |
0 |
0 |
0.000 |
| 23 |
41 |
|
[FE]F:601 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
6 |
4 |
11678 |
23.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
42 |
|
[FE]B:602 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
11736 |
23.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
43 |
|
[FE]D:601 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
11785 |
23.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
23.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
| 24 |
44 |
|
[BME]D:603 |
1 |
1 |
205 |
f |
E |
x,-y,-z |
4_555 |
1 |
1 |
11678 |
18.6 |
-1.1 |
0.176 |
0 |
0 |
0 |
0.100 |
| 25 |
45 |
|
C |
2 |
1 |
11785 |
◊ |
C |
-x-1,-y,z |
2_455 |
2 |
1 |
11785 |
11.0 |
-0.4 |
0.348 |
0 |
0 |
0 |
0.000 |
|