## |
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 |
|
C |
191 |
49 |
19096 |
◊ |
A |
x,y,z |
1_555 |
197 |
50 |
19253 |
1780.6 |
-9.7 |
0.588 |
19 |
0 |
0 |
0.120 |
2 |
|
D |
191 |
49 |
19545 |
◊ |
B |
x,y,z |
1_555 |
189 |
51 |
19149 |
1750.9 |
-8.4 |
0.585 |
20 |
0 |
0 |
0.120 |
Average: |
1765.8 |
-9.1 |
0.586 |
20 |
0 |
0 |
0.120 |
2 |
3 |
|
B |
52 |
17 |
19149 |
◊ |
A |
x,y,z |
1_555 |
51 |
15 |
19253 |
445.1 |
0.8 |
0.812 |
6 |
6 |
0 |
0.015 |
3 |
4 |
|
D |
41 |
12 |
19545 |
◊ |
B |
x-1,y,z |
1_455 |
33 |
8 |
19149 |
324.0 |
0.2 |
0.682 |
3 |
0 |
0 |
0.000 |
5 |
|
C |
40 |
11 |
19096 |
◊ |
A |
x-1,y,z |
1_455 |
29 |
7 |
19253 |
301.7 |
0.4 |
0.706 |
5 |
0 |
0 |
0.000 |
Average: |
312.9 |
0.3 |
0.694 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
24 |
5 |
19149 |
◊ |
C |
x,y-1,z |
1_545 |
27 |
11 |
19096 |
240.4 |
-0.5 |
0.608 |
3 |
2 |
0 |
0.000 |
7 |
|
D |
13 |
3 |
19545 |
◊ |
A |
x-1,y-1,z |
1_445 |
15 |
4 |
19253 |
136.1 |
-2.6 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
188.2 |
-1.6 |
0.399 |
2 |
1 |
0 |
0.000 |
5 |
8 |
|
[GTP]D:1586 |
22 |
1 |
594 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
19545 |
227.8 |
-0.3 |
0.557 |
4 |
0 |
0 |
0.030 |
9 |
|
[GTP]C:1585 |
22 |
1 |
592 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
19096 |
224.8 |
0.4 |
0.650 |
5 |
0 |
0 |
0.030 |
10 |
|
[GTP]D:1585 |
23 |
1 |
598 |
f |
B |
x,y,z |
1_555 |
28 |
12 |
19149 |
222.1 |
-0.3 |
0.629 |
6 |
0 |
0 |
0.030 |
11 |
|
[GTP]A:1585 |
24 |
1 |
595 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
19253 |
221.0 |
-0.3 |
0.582 |
4 |
0 |
0 |
0.030 |
Average: |
223.9 |
-0.1 |
0.605 |
5 |
0 |
0 |
0.030 |
6 |
12 |
|
[GTP]C:1585 |
24 |
1 |
592 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
19253 |
214.4 |
-1.3 |
0.501 |
2 |
0 |
0 |
0.022 |
13 |
|
[GTP]D:1585 |
21 |
1 |
598 |
◊ |
D |
x,y,z |
1_555 |
28 |
9 |
19545 |
204.3 |
0.6 |
0.671 |
3 |
0 |
0 |
0.022 |
14 |
|
[GTP]A:1585 |
21 |
1 |
595 |
◊ |
C |
x,y,z |
1_555 |
29 |
8 |
19096 |
183.4 |
-0.6 |
0.606 |
1 |
0 |
0 |
0.022 |
15 |
|
[GTP]D:1586 |
21 |
1 |
594 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
19149 |
181.1 |
0.0 |
0.581 |
1 |
0 |
0 |
0.022 |
Average: |
195.8 |
-0.3 |
0.590 |
2 |
0 |
0 |
0.022 |
7 |
16 |
|
B |
17 |
4 |
19149 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
16 |
4 |
19253 |
153.4 |
-0.5 |
0.470 |
3 |
0 |
0 |
0.000 |
8 |
17 |
|
[SO4]C:1587 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
19096 |
110.9 |
-17.9 |
0.310 |
7 |
0 |
0 |
0.138 |
9 |
18 |
|
[SO4]B:1587 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
19149 |
110.7 |
-15.4 |
0.782 |
4 |
0 |
0 |
0.101 |
10 |
19 |
|
[SO4]C:1586 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
19096 |
110.4 |
-14.8 |
0.855 |
2 |
0 |
0 |
0.103 |
11 |
20 |
|
[SO4]D:1587 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
19545 |
109.2 |
-14.8 |
0.820 |
2 |
0 |
0 |
0.093 |
12 |
21 |
|
[SO4]D:1588 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
22 |
11 |
19545 |
107.9 |
-17.6 |
0.387 |
4 |
0 |
0 |
0.115 |
13 |
22 |
|
[SO4]B:1588 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
19149 |
106.6 |
-18.0 |
0.262 |
6 |
0 |
0 |
0.122 |
14 |
23 |
|
[SO4]A:1588 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
19253 |
105.7 |
-18.4 |
0.206 |
4 |
0 |
0 |
0.133 |
15 |
24 |
|
[SO4]B:1585 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
19149 |
95.7 |
-12.9 |
0.868 |
5 |
0 |
0 |
0.089 |
16 |
25 |
|
[SO4]B:1586 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
19149 |
90.1 |
-12.5 |
0.882 |
3 |
0 |
0 |
0.082 |
17 |
26 |
|
[SO4]A:1587 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19253 |
89.5 |
-11.8 |
0.914 |
4 |
0 |
0 |
0.089 |
18 |
27 |
|
[SO4]A:1586 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
19253 |
85.9 |
-11.5 |
0.871 |
3 |
0 |
0 |
0.085 |
19 |
28 |
|
[FE]C:1584 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
19096 |
58.9 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.152 |
29 |
|
[FE]A:1584 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
19253 |
57.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.152 |
30 |
|
[FE]B:1584 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
19149 |
57.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.152 |
31 |
|
[FE]D:1584 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
19545 |
56.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.152 |
Average: |
57.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.152 |
20 |
32 |
|
[SO4]B:1585 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
19253 |
43.1 |
-3.9 |
0.963 |
1 |
0 |
0 |
0.024 |
21 |
33 |
|
D |
7 |
3 |
19545 |
◊ |
C |
x-1,y-1,z |
1_445 |
8 |
2 |
19096 |
42.7 |
-0.5 |
0.488 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
6 |
2 |
19545 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
2 |
19096 |
39.5 |
-0.8 |
0.297 |
0 |
0 |
0 |
0.000 |
Average: |
41.1 |
-0.7 |
0.392 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[SO4]D:1588 |
4 |
1 |
185 |
f |
[FE]D:1584 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.048 |
23 |
36 |
|
[SO4]A:1588 |
4 |
1 |
185 |
f |
[FE]A:1584 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.105 |
37 |
|
[SO4]C:1587 |
4 |
1 |
185 |
cf |
[FE]C:1584 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
37.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.105 |
24 |
38 |
|
[SO4]B:1588 |
4 |
1 |
186 |
cf |
[FE]B:1584 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.047 |
25 |
39 |
|
[SO4]A:1587 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
19149 |
28.3 |
-2.9 |
0.891 |
0 |
0 |
0 |
0.016 |
26 |
40 |
|
[SO4]B:1586 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19253 |
25.0 |
-3.0 |
0.844 |
0 |
0 |
0 |
0.017 |
27 |
41 |
|
[SO4]B:1586 |
3 |
1 |
185 |
f |
[SO4]B:1585 |
x,y,z |
1_555 |
1 |
1 |
185 |
20.0 |
-4.8 |
0.891 |
0 |
0 |
0 |
0.028 |
28 |
42 |
|
[SO4]A:1587 |
1 |
1 |
185 |
f |
[SO4]A:1586 |
x,y,z |
1_555 |
3 |
1 |
185 |
17.5 |
-4.2 |
0.891 |
0 |
0 |
0 |
0.028 |
29 |
43 |
|
[SO4]A:1586 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
19149 |
14.2 |
-1.4 |
0.908 |
0 |
0 |
0 |
0.008 |
30 |
44 |
|
D |
1 |
1 |
19545 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
2 |
1 |
19253 |
12.4 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
|