## |
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 |
86 |
21 |
8481 |
◊ |
A |
x,y,z |
1_555 |
88 |
21 |
8609 |
839.1 |
-9.7 |
0.203 |
14 |
10 |
0 |
0.367 |
2 |
|
D |
89 |
22 |
8504 |
◊ |
D |
-x+y,y,-z-1/2 |
10_554 |
88 |
21 |
8504 |
777.2 |
-8.7 |
0.228 |
14 |
12 |
0 |
0.367 |
3 |
|
C |
91 |
23 |
8661 |
◊ |
C |
x,x-y+1,-z-1/2 |
12_564 |
91 |
23 |
8661 |
764.3 |
-9.0 |
0.196 |
14 |
12 |
0 |
0.367 |
Average: |
793.5 |
-9.2 |
0.209 |
14 |
11 |
0 |
0.367 |
2 |
4 |
|
A |
41 |
18 |
8609 |
◊ |
A |
y,x,-z |
11_555 |
41 |
18 |
8609 |
515.4 |
-0.7 |
0.665 |
5 |
4 |
1 |
0.000 |
3 |
5 |
|
A |
49 |
15 |
8609 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
58 |
13 |
8661 |
462.8 |
-4.5 |
0.430 |
5 |
0 |
0 |
0.108 |
6 |
|
D |
49 |
14 |
8504 |
◊ |
B |
x,y,z |
1_555 |
56 |
12 |
8481 |
461.8 |
-4.5 |
0.457 |
5 |
0 |
0 |
0.108 |
7 |
|
A |
54 |
12 |
8609 |
◊ |
B |
-y+1,x-y+1,z |
3_665 |
49 |
14 |
8481 |
461.0 |
-4.3 |
0.435 |
5 |
0 |
0 |
0.108 |
8 |
|
D |
56 |
12 |
8504 |
◊ |
C |
x,y,z |
1_555 |
49 |
14 |
8661 |
460.2 |
-4.4 |
0.462 |
5 |
0 |
0 |
0.108 |
Average: |
461.5 |
-4.4 |
0.446 |
5 |
0 |
0 |
0.108 |
4 |
9 |
|
C |
53 |
13 |
8661 |
x |
A |
-x+y,y,-z-1/2 |
10_554 |
57 |
14 |
8609 |
449.4 |
-2.9 |
0.517 |
7 |
8 |
0 |
0.160 |
10 |
|
D |
53 |
13 |
8504 |
x |
C |
-x+y,y,-z-1/2 |
10_554 |
55 |
14 |
8661 |
439.1 |
-2.6 |
0.557 |
6 |
10 |
0 |
0.160 |
11 |
|
D |
57 |
15 |
8504 |
x |
A |
x,y,z |
1_555 |
51 |
13 |
8609 |
435.7 |
-2.5 |
0.567 |
8 |
10 |
0 |
0.160 |
12 |
|
B |
51 |
13 |
8481 |
x |
B |
-y+1,x-y+1,z |
3_665 |
56 |
14 |
8481 |
415.0 |
-2.8 |
0.574 |
8 |
10 |
0 |
0.160 |
Average: |
434.8 |
-2.7 |
0.554 |
7 |
10 |
0 |
0.160 |
5 |
13 |
|
[HEM]A:201 |
38 |
1 |
839 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
8609 |
338.9 |
-11.0 |
0.300 |
0 |
0 |
0 |
0.156 |
14 |
|
[HEM]D:201 |
39 |
1 |
843 |
◊ |
D |
x,y,z |
1_555 |
41 |
13 |
8504 |
247.3 |
-7.7 |
0.338 |
0 |
0 |
0 |
0.156 |
15 |
|
[HEM]C:201 |
38 |
1 |
845 |
◊ |
C |
x,x-y+1,-z-1/2 |
12_564 |
38 |
13 |
8661 |
211.0 |
-6.3 |
0.277 |
0 |
0 |
0 |
0.156 |
Average: |
265.7 |
-8.3 |
0.305 |
0 |
0 |
0 |
0.156 |
6 |
16 |
|
[HEM]A:201 |
37 |
1 |
839 |
◊ |
B |
x,y,z |
1_555 |
37 |
13 |
8481 |
334.0 |
-10.8 |
0.290 |
0 |
0 |
0 |
0.157 |
17 |
|
[HEM]D:201 |
39 |
1 |
843 |
◊ |
D |
-x+y,y,-z-1/2 |
10_554 |
37 |
13 |
8504 |
246.1 |
-7.7 |
0.289 |
0 |
0 |
0 |
0.157 |
18 |
|
[HEM]C:201 |
37 |
1 |
845 |
◊ |
C |
x,y,z |
1_555 |
38 |
13 |
8661 |
211.5 |
-6.4 |
0.269 |
0 |
0 |
0 |
0.157 |
Average: |
263.9 |
-8.3 |
0.282 |
0 |
0 |
0 |
0.157 |
7 |
19 |
|
[HEM]D:201 |
43 |
1 |
843 |
f |
[HEM]D:201 |
-x+y,y,-z-1/2 |
10_554 |
43 |
1 |
843 |
290.1 |
-12.8 |
1.000 |
0 |
0 |
0 |
0.117 |
20 |
|
[HEM]C:201 |
43 |
1 |
845 |
f |
[HEM]C:201 |
x,x-y+1,-z-1/2 |
12_564 |
43 |
1 |
845 |
215.3 |
-9.5 |
1.000 |
0 |
0 |
0 |
0.117 |
Average: |
252.7 |
-11.1 |
1.000 |
0 |
0 |
0 |
0.117 |
8 |
21 |
|
[MPD]D:202 |
7 |
1 |
275 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
8504 |
143.0 |
-9.2 |
0.790 |
4 |
0 |
0 |
0.325 |
22 |
|
[MPD]A:202 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
8609 |
143.0 |
-9.1 |
0.759 |
4 |
0 |
0 |
0.325 |
23 |
|
[MPD]B:202 |
7 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
8481 |
142.2 |
-9.1 |
0.770 |
2 |
0 |
0 |
0.325 |
Average: |
142.8 |
-9.1 |
0.773 |
3 |
0 |
0 |
0.325 |
9 |
24 |
|
C |
15 |
5 |
8661 |
◊ |
A |
x-y,x,z-1/2 |
2_554 |
13 |
5 |
8609 |
119.8 |
1.2 |
0.808 |
1 |
0 |
0 |
0.000 |
10 |
25 |
|
[MPD]C:202 |
6 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
19 |
4 |
8661 |
111.8 |
-7.1 |
0.684 |
1 |
0 |
0 |
0.325 |
11 |
26 |
|
[MPD]B:203 |
6 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
18 |
4 |
8481 |
108.0 |
-7.1 |
0.685 |
1 |
0 |
0 |
0.219 |
27 |
|
[MPD]A:203 |
6 |
1 |
278 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
8609 |
106.8 |
-6.9 |
0.685 |
1 |
0 |
0 |
0.219 |
28 |
|
[MPD]D:203 |
6 |
1 |
279 |
f |
D |
x,y,z |
1_555 |
19 |
4 |
8504 |
106.4 |
-6.9 |
0.700 |
1 |
0 |
0 |
0.219 |
Average: |
107.1 |
-7.0 |
0.690 |
1 |
0 |
0 |
0.219 |
12 |
29 |
|
[MPD]C:202 |
6 |
1 |
279 |
◊ |
A |
-x+y,y,-z-1/2 |
10_554 |
16 |
4 |
8609 |
102.9 |
-6.0 |
0.771 |
0 |
0 |
0 |
0.044 |
13 |
30 |
|
[MPD]D:203 |
6 |
1 |
279 |
◊ |
C |
-x+y,y,-z-1/2 |
10_554 |
17 |
4 |
8661 |
102.1 |
-5.9 |
0.801 |
0 |
0 |
0 |
0.116 |
31 |
|
[MPD]A:203 |
6 |
1 |
278 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
8504 |
100.8 |
-5.9 |
0.792 |
0 |
0 |
0 |
0.116 |
32 |
|
[MPD]B:203 |
6 |
1 |
279 |
◊ |
B |
-y+1,x-y+1,z |
3_665 |
15 |
4 |
8481 |
100.7 |
-5.8 |
0.796 |
0 |
0 |
0 |
0.116 |
Average: |
101.2 |
-5.9 |
0.797 |
0 |
0 |
0 |
0.116 |
14 |
33 |
|
[MPD]A:202 |
5 |
1 |
273 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
8504 |
64.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.055 |
34 |
|
[MPD]D:202 |
5 |
1 |
275 |
◊ |
C |
-x+y,y,-z-1/2 |
10_554 |
8 |
2 |
8661 |
63.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.055 |
35 |
|
[MPD]B:202 |
4 |
1 |
274 |
◊ |
B |
-y+1,x-y+1,z |
3_665 |
9 |
2 |
8481 |
62.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
63.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.055 |
15 |
36 |
|
[SO4]D:205 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8609 |
56.1 |
-6.4 |
0.924 |
3 |
0 |
0 |
0.101 |
16 |
37 |
|
[SO4]D:205 |
4 |
1 |
186 |
◊ |
C |
-x+y,y,-z-1/2 |
10_554 |
10 |
5 |
8661 |
55.5 |
-6.3 |
0.925 |
2 |
0 |
0 |
0.053 |
17 |
38 |
|
[NA]B:204 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
8481 |
55.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.308 |
39 |
|
[NA]D:204 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
8504 |
55.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.308 |
40 |
|
[NA]C:203 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
8661 |
55.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.308 |
41 |
|
[NA]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
8609 |
47.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.308 |
Average: |
53.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.308 |
18 |
42 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
8661 |
53.1 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.431 |
43 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
8504 |
52.6 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.431 |
44 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
8481 |
52.3 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.431 |
45 |
|
A |
8 |
2 |
8609 |
◊ |
[K]B:201 |
-y+1,x-y+1,z |
3_665 |
1 |
1 |
216 |
52.1 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.431 |
Average: |
52.5 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.431 |
19 |
46 |
|
[SO4]D:205 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
8504 |
52.4 |
-6.1 |
0.937 |
3 |
0 |
0 |
0.055 |
20 |
47 |
|
C |
7 |
3 |
8661 |
◊ |
B |
x-y,x,z-1/2 |
2_554 |
6 |
4 |
8481 |
52.0 |
0.6 |
0.743 |
0 |
0 |
0 |
0.000 |
21 |
48 |
|
[NA]A:204 |
1 |
1 |
125 |
◊ |
C |
-y+1,x-y+1,z |
3_665 |
7 |
2 |
8661 |
45.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.061 |
49 |
|
A |
4 |
1 |
8609 |
◊ |
[NA]B:204 |
-y+1,x-y+1,z |
3_665 |
1 |
1 |
125 |
35.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.061 |
50 |
|
[NA]C:203 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
8504 |
34.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.061 |
51 |
|
[NA]D:204 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
8481 |
34.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
37.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
22 |
52 |
|
[SO4]B:205 |
3 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8481 |
34.0 |
-2.2 |
0.797 |
2 |
0 |
0 |
0.061 |
23 |
53 |
|
[SO4]B:205 |
3 |
1 |
159 |
◊ |
B |
-y+1,x-y+1,z |
3_665 |
9 |
3 |
8481 |
32.6 |
-1.6 |
0.809 |
2 |
0 |
0 |
0.050 |
24 |
54 |
|
[SO4]B:205 |
3 |
1 |
159 |
x |
[SO4]B:205 |
-y+1,x-y+1,z |
3_665 |
3 |
1 |
159 |
32.1 |
-1.6 |
0.963 |
0 |
0 |
0 |
0.031 |
25 |
55 |
|
B |
9 |
3 |
8481 |
◊ |
[SO4]B:205 |
-y+1,x-y+1,z |
3_665 |
2 |
1 |
159 |
29.5 |
-0.2 |
0.878 |
1 |
0 |
0 |
0.012 |
26 |
56 |
|
A |
5 |
2 |
8609 |
◊ |
D |
-y+1,x-y+1,z |
3_665 |
5 |
2 |
8504 |
22.7 |
0.6 |
0.814 |
0 |
0 |
0 |
0.000 |
57 |
|
C |
5 |
2 |
8661 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8481 |
22.6 |
0.6 |
0.813 |
0 |
0 |
0 |
0.000 |
Average: |
22.6 |
0.6 |
0.814 |
0 |
0 |
0 |
0.000 |
27 |
58 |
|
[NA]D:204 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8609 |
14.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.033 |
59 |
|
[NA]C:203 |
1 |
1 |
125 |
◊ |
D |
-x+y,y,-z-1/2 |
10_554 |
3 |
1 |
8504 |
13.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.033 |
60 |
|
B |
3 |
1 |
8481 |
◊ |
[NA]B:204 |
-y+1,x-y+1,z |
3_665 |
1 |
1 |
125 |
13.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
13.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.033 |
|