| ## |
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 |
168 |
42 |
7015 |
◊ |
C |
x,y,z |
1_555 |
165 |
43 |
6993 |
1647.3 |
-28.0 |
0.079 |
22 |
12 |
0 |
1.000 |
2 |
|
E |
165 |
42 |
6999 |
◊ |
E |
-x+1,y,-z+1 |
5_656 |
165 |
42 |
6999 |
1632.7 |
-28.2 |
0.077 |
22 |
10 |
0 |
1.000 |
3 |
|
B |
167 |
42 |
7240 |
◊ |
A |
x,y,z |
1_555 |
163 |
40 |
6896 |
1618.7 |
-29.2 |
0.045 |
20 |
8 |
0 |
1.000 |
| Average: |
1632.9 |
-28.5 |
0.067 |
21 |
10 |
0 |
1.000 |
| 2 |
4 |
|
B |
47 |
15 |
7240 |
◊ |
B |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
46 |
15 |
7240 |
453.1 |
3.4 |
0.936 |
6 |
2 |
0 |
0.000 |
| 3 |
5 |
|
A |
60 |
17 |
6896 |
x |
A |
-y,x,z |
3_555 |
42 |
12 |
6896 |
444.1 |
-0.6 |
0.731 |
8 |
3 |
0 |
0.161 |
6 |
|
B |
43 |
13 |
7240 |
x |
B |
-y,x,z |
3_555 |
58 |
18 |
7240 |
443.3 |
-0.4 |
0.742 |
8 |
3 |
0 |
0.161 |
7 |
|
E |
56 |
17 |
6999 |
x |
E |
-y,x-1,z |
3_545 |
44 |
12 |
6999 |
443.1 |
-0.7 |
0.758 |
7 |
3 |
0 |
0.161 |
8 |
|
D |
43 |
12 |
7015 |
x |
D |
-y,x,z |
3_555 |
58 |
17 |
7015 |
442.7 |
-0.4 |
0.750 |
7 |
3 |
0 |
0.161 |
9 |
|
C |
59 |
17 |
6993 |
x |
C |
-y,x,z |
3_555 |
40 |
12 |
6993 |
435.0 |
-0.2 |
0.749 |
7 |
3 |
0 |
0.161 |
| Average: |
441.7 |
-0.5 |
0.746 |
7 |
3 |
0 |
0.161 |
| 4 |
10 |
|
C |
23 |
7 |
6993 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
7240 |
213.9 |
-4.7 |
0.222 |
0 |
0 |
0 |
0.077 |
| 5 |
11 |
|
E |
23 |
7 |
6999 |
◊ |
D |
x,y,z |
1_555 |
26 |
8 |
7015 |
209.2 |
-1.3 |
0.628 |
1 |
1 |
0 |
0.000 |
| 6 |
12 |
|
C |
21 |
7 |
6993 |
◊ |
B |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
18 |
4 |
7240 |
175.2 |
-2.2 |
0.442 |
2 |
1 |
0 |
0.000 |
| 7 |
13 |
|
C |
18 |
7 |
6993 |
◊ |
D |
-y,x,z |
3_555 |
20 |
6 |
7015 |
171.9 |
-1.3 |
0.552 |
5 |
0 |
0 |
0.058 |
14 |
|
E |
19 |
6 |
6999 |
◊ |
E |
-y,-x,-z+1 |
8_556 |
19 |
6 |
6999 |
171.7 |
-1.2 |
0.565 |
4 |
0 |
0 |
0.058 |
15 |
|
A |
17 |
6 |
6896 |
◊ |
B |
-y,x,z |
3_555 |
18 |
6 |
7240 |
169.0 |
-1.2 |
0.543 |
4 |
0 |
0 |
0.058 |
| Average: |
170.9 |
-1.2 |
0.553 |
4 |
0 |
0 |
0.058 |
| 8 |
16 |
|
[MPD]C:106 |
4 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
6993 |
96.2 |
-6.6 |
0.563 |
0 |
0 |
0 |
0.208 |
17 |
|
[MPD]B:106 |
4 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
7240 |
93.2 |
-6.1 |
0.637 |
0 |
0 |
0 |
0.208 |
| Average: |
94.7 |
-6.4 |
0.600 |
0 |
0 |
0 |
0.208 |
| 9 |
18 |
|
B |
7 |
3 |
7240 |
◊ |
C |
-y,x,z |
3_555 |
8 |
3 |
6993 |
68.0 |
1.6 |
0.864 |
1 |
3 |
0 |
0.000 |
| 10 |
19 |
|
E |
5 |
2 |
6999 |
◊ |
E |
y+1,x-1,-z+1 |
7_646 |
5 |
2 |
6999 |
57.1 |
-1.6 |
0.150 |
0 |
0 |
0 |
0.030 |
20 |
|
B |
5 |
2 |
7240 |
◊ |
A |
-y,x,z |
3_555 |
6 |
2 |
6896 |
56.3 |
-1.6 |
0.163 |
0 |
0 |
0 |
0.030 |
21 |
|
D |
6 |
2 |
7015 |
◊ |
C |
-y,x,z |
3_555 |
5 |
2 |
6993 |
55.9 |
-1.5 |
0.178 |
0 |
0 |
0 |
0.030 |
| Average: |
56.4 |
-1.5 |
0.164 |
0 |
0 |
0 |
0.030 |
| 11 |
22 |
|
[SO4]E:105 |
5 |
1 |
184 |
fx |
[SO4]E:105 |
-y,x-1,z |
3_545 |
5 |
1 |
184 |
53.6 |
-11.2 |
0.993 |
0 |
0 |
0 |
0.349 |
23 |
|
[SO4]C:105 |
5 |
1 |
184 |
fx |
[SO4]C:105 |
-y,x,z |
3_555 |
5 |
1 |
184 |
53.5 |
-11.1 |
0.993 |
0 |
0 |
0 |
0.349 |
| Average: |
53.6 |
-11.1 |
0.993 |
0 |
0 |
0 |
0.349 |
| 12 |
24 |
|
[SO4]B:105 |
5 |
1 |
184 |
fx |
[SO4]B:105 |
-y,x,z |
3_555 |
5 |
1 |
184 |
53.5 |
-11.1 |
0.993 |
0 |
0 |
0 |
0.278 |
| 13 |
25 |
|
C |
6 |
2 |
6993 |
◊ |
[MPD]C:106 |
-y,x,z |
3_555 |
4 |
1 |
276 |
50.0 |
-2.0 |
0.906 |
0 |
0 |
0 |
0.065 |
26 |
|
[MPD]B:106 |
4 |
1 |
276 |
◊ |
B |
-y,x,z |
3_555 |
6 |
2 |
7240 |
49.7 |
-2.0 |
0.898 |
0 |
0 |
0 |
0.065 |
| Average: |
49.8 |
-2.0 |
0.902 |
0 |
0 |
0 |
0.065 |
| 14 |
27 |
|
[SO4]D:105 |
5 |
1 |
184 |
f |
[SO4]D:105 |
-x,-y,z |
2_555 |
5 |
1 |
184 |
46.8 |
-10.1 |
0.993 |
0 |
0 |
0 |
0.167 |
| 15 |
28 |
|
[SO4]A:105 |
5 |
1 |
186 |
f |
[SO4]A:105 |
-x,-y,z |
2_555 |
5 |
1 |
186 |
44.3 |
-9.4 |
0.993 |
0 |
0 |
0 |
0.150 |
| 16 |
29 |
|
[SO4]D:105 |
5 |
1 |
184 |
fx |
[SO4]D:105 |
-y,x,z |
3_555 |
5 |
1 |
184 |
43.1 |
-8.9 |
0.993 |
0 |
0 |
0 |
0.294 |
| 17 |
30 |
|
[SO4]A:105 |
5 |
1 |
186 |
fx |
[SO4]A:105 |
-y,x,z |
3_555 |
5 |
1 |
186 |
41.1 |
-8.6 |
0.993 |
0 |
0 |
0 |
0.273 |
| 18 |
31 |
|
B |
7 |
3 |
7240 |
◊ |
[MPD]C:106 |
-y,x,z |
3_555 |
1 |
1 |
276 |
38.6 |
-2.4 |
0.574 |
0 |
0 |
0 |
0.077 |
32 |
|
[MPD]B:106 |
1 |
1 |
276 |
◊ |
C |
-y,x,z |
3_555 |
7 |
3 |
6993 |
37.8 |
-2.3 |
0.576 |
0 |
0 |
0 |
0.077 |
| Average: |
38.2 |
-2.3 |
0.575 |
0 |
0 |
0 |
0.077 |
| 19 |
33 |
|
[SO4]B:105 |
4 |
1 |
184 |
◊ |
B |
-x,-y,z |
2_555 |
5 |
2 |
7240 |
32.0 |
-3.2 |
0.942 |
2 |
0 |
0 |
0.102 |
| 20 |
34 |
|
[SO4]E:105 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
6999 |
31.9 |
-3.3 |
0.942 |
2 |
0 |
0 |
0.132 |
35 |
|
[SO4]C:105 |
4 |
1 |
184 |
◊ |
C |
-y,x,z |
3_555 |
5 |
2 |
6993 |
31.8 |
-3.2 |
0.938 |
2 |
0 |
0 |
0.132 |
| Average: |
31.8 |
-3.3 |
0.940 |
2 |
0 |
0 |
0.132 |
| 21 |
36 |
|
C |
5 |
2 |
6993 |
◊ |
[SO4]C:105 |
-y,x,z |
3_555 |
4 |
1 |
184 |
31.9 |
-3.2 |
0.939 |
2 |
0 |
0 |
0.128 |
37 |
|
[SO4]E:105 |
4 |
1 |
184 |
◊ |
E |
-x+1,-y-1,z |
2_645 |
5 |
2 |
6999 |
31.3 |
-3.2 |
0.942 |
2 |
0 |
0 |
0.128 |
| Average: |
31.6 |
-3.2 |
0.941 |
2 |
0 |
0 |
0.128 |
| 22 |
38 |
|
[SO4]C:105 |
4 |
1 |
184 |
◊ |
C |
-x,-y,z |
2_555 |
4 |
2 |
6993 |
31.4 |
-3.2 |
0.950 |
2 |
0 |
0 |
0.128 |
39 |
|
[SO4]E:105 |
4 |
1 |
184 |
◊ |
E |
-y,x-1,z |
3_545 |
4 |
2 |
6999 |
30.7 |
-3.2 |
0.951 |
2 |
0 |
0 |
0.128 |
| Average: |
31.1 |
-3.2 |
0.950 |
2 |
0 |
0 |
0.128 |
| 23 |
40 |
|
[SO4]B:105 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
7240 |
31.4 |
-3.1 |
0.941 |
2 |
0 |
0 |
0.101 |
| 24 |
41 |
|
[SO4]C:105 |
5 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6993 |
31.1 |
-3.2 |
0.951 |
2 |
0 |
0 |
0.130 |
42 |
|
E |
4 |
2 |
6999 |
◊ |
[SO4]E:105 |
-y,x-1,z |
3_545 |
5 |
1 |
184 |
30.9 |
-3.3 |
0.953 |
2 |
0 |
0 |
0.130 |
| Average: |
31.0 |
-3.2 |
0.952 |
2 |
0 |
0 |
0.130 |
| 25 |
43 |
|
B |
4 |
2 |
7240 |
◊ |
[SO4]B:105 |
-y,x,z |
3_555 |
4 |
1 |
184 |
31.0 |
-3.3 |
0.951 |
2 |
0 |
0 |
0.103 |
| 26 |
44 |
|
[SO4]B:105 |
5 |
1 |
184 |
◊ |
B |
-y,x,z |
3_555 |
4 |
2 |
7240 |
31.0 |
-3.2 |
0.952 |
2 |
0 |
0 |
0.101 |
| 27 |
45 |
|
[SO4]A:105 |
4 |
1 |
186 |
◊ |
A |
-y,x,z |
3_555 |
4 |
2 |
6896 |
27.5 |
-2.5 |
0.947 |
3 |
0 |
0 |
0.121 |
| 28 |
46 |
|
[SO4]A:105 |
4 |
1 |
186 |
◊ |
A |
-x,-y,z |
2_555 |
4 |
2 |
6896 |
27.5 |
-2.4 |
0.946 |
2 |
0 |
0 |
0.104 |
| 29 |
47 |
|
[SO4]A:105 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6896 |
27.4 |
-2.4 |
0.938 |
2 |
0 |
0 |
0.105 |
| 30 |
48 |
|
A |
4 |
2 |
6896 |
◊ |
[SO4]A:105 |
-y,x,z |
3_555 |
4 |
1 |
186 |
26.9 |
-2.3 |
0.950 |
2 |
0 |
0 |
0.101 |
| 31 |
49 |
|
D |
5 |
2 |
7015 |
◊ |
[SO4]D:105 |
-y,x,z |
3_555 |
4 |
1 |
184 |
25.3 |
-2.3 |
0.954 |
2 |
0 |
0 |
0.104 |
| 32 |
50 |
|
[SO4]D:105 |
3 |
1 |
184 |
◊ |
D |
-y,x,z |
3_555 |
5 |
2 |
7015 |
24.7 |
-2.1 |
0.952 |
2 |
0 |
0 |
0.100 |
| 33 |
51 |
|
[SO4]D:105 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
7015 |
23.9 |
-2.1 |
0.958 |
3 |
0 |
0 |
0.113 |
| 34 |
52 |
|
[SO4]D:105 |
3 |
1 |
184 |
◊ |
D |
-x,-y,z |
2_555 |
4 |
2 |
7015 |
23.6 |
-2.0 |
0.963 |
2 |
0 |
0 |
0.094 |
| 35 |
53 |
|
D |
2 |
2 |
7015 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
13_545 |
5 |
2 |
6896 |
20.5 |
-0.3 |
0.425 |
0 |
0 |
0 |
0.000 |
| 36 |
54 |
|
D |
1 |
1 |
7015 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
13_545 |
2 |
1 |
7240 |
6.7 |
-0.2 |
0.397 |
0 |
0 |
0 |
0.000 |
| 37 |
55 |
|
B |
1 |
1 |
7240 |
◊ |
A |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
1 |
1 |
6896 |
1.3 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
|