| ## |
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 |
|
F |
69 |
23 |
10615 |
◊ |
D |
x,y,z |
1_555 |
60 |
21 |
10518 |
589.4 |
-3.5 |
0.134 |
7 |
0 |
0 |
0.000 |
2 |
|
C |
65 |
22 |
10406 |
◊ |
B |
x,y,z |
1_555 |
60 |
19 |
10452 |
578.9 |
-2.9 |
0.146 |
6 |
0 |
0 |
0.000 |
3 |
|
C |
60 |
19 |
10406 |
◊ |
A |
x,y,z |
1_555 |
68 |
23 |
10401 |
574.4 |
-3.8 |
0.137 |
6 |
0 |
0 |
0.000 |
4 |
|
F |
57 |
20 |
10615 |
◊ |
E |
x,y,z |
1_555 |
67 |
23 |
10450 |
569.9 |
-3.7 |
0.148 |
7 |
0 |
0 |
0.000 |
5 |
|
E |
56 |
18 |
10450 |
◊ |
D |
x,y,z |
1_555 |
63 |
22 |
10518 |
564.7 |
-3.7 |
0.125 |
5 |
0 |
0 |
0.000 |
6 |
|
B |
64 |
23 |
10452 |
◊ |
A |
x,y,z |
1_555 |
58 |
20 |
10401 |
554.0 |
-3.6 |
0.148 |
6 |
0 |
0 |
0.000 |
| Average: |
571.9 |
-3.5 |
0.140 |
6 |
0 |
0 |
0.000 |
| 2 |
7 |
|
D |
50 |
18 |
10518 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
49 |
17 |
10406 |
470.7 |
-0.8 |
0.409 |
5 |
1 |
0 |
0.035 |
8 |
|
A |
44 |
16 |
10401 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
44 |
17 |
10518 |
441.2 |
-2.0 |
0.307 |
3 |
1 |
0 |
0.035 |
9 |
|
F |
52 |
18 |
10615 |
◊ |
A |
x,y,z |
1_555 |
49 |
18 |
10401 |
425.2 |
-0.6 |
0.448 |
2 |
0 |
0 |
0.035 |
| Average: |
445.7 |
-1.1 |
0.388 |
3 |
1 |
0 |
0.035 |
| 3 |
10 |
|
F |
46 |
17 |
10615 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
52 |
15 |
10406 |
459.2 |
-1.3 |
0.325 |
6 |
0 |
0 |
0.000 |
11 |
|
B |
43 |
14 |
10452 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
50 |
14 |
10518 |
454.4 |
0.6 |
0.480 |
9 |
1 |
0 |
0.000 |
12 |
|
E |
44 |
15 |
10450 |
◊ |
A |
x,y,z |
1_555 |
54 |
15 |
10401 |
452.1 |
-0.4 |
0.434 |
7 |
0 |
0 |
0.000 |
| Average: |
455.2 |
-0.4 |
0.413 |
7 |
0 |
0 |
0.000 |
| 4 |
13 |
|
F |
13 |
4 |
10615 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
10518 |
132.9 |
-0.3 |
0.433 |
4 |
0 |
0 |
0.009 |
| 5 |
14 |
|
C |
14 |
5 |
10406 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
4 |
10401 |
131.9 |
0.2 |
0.498 |
4 |
0 |
0 |
0.007 |
| 6 |
15 |
|
[SO4]F:803 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
16 |
5 |
10615 |
92.7 |
-12.8 |
0.624 |
1 |
0 |
0 |
0.056 |
| 7 |
16 |
|
[SO4]F:801 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
10615 |
92.5 |
-13.0 |
0.669 |
3 |
0 |
0 |
0.061 |
| 8 |
17 |
|
[SO4]D:801 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
10518 |
89.7 |
-12.4 |
0.641 |
3 |
0 |
0 |
0.058 |
| 9 |
18 |
|
[SO4]D:803 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
10518 |
89.6 |
-13.8 |
0.759 |
3 |
0 |
0 |
0.064 |
| 10 |
19 |
|
[SO4]A:801 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
10401 |
89.4 |
-12.5 |
0.672 |
2 |
0 |
0 |
0.057 |
| 11 |
20 |
|
[SO4]E:802 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
10450 |
87.5 |
-13.6 |
0.750 |
4 |
0 |
0 |
0.040 |
| 12 |
21 |
|
[SO4]B:802 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
10452 |
86.2 |
-13.2 |
0.771 |
3 |
0 |
0 |
0.057 |
| 13 |
22 |
|
[SO4]C:802 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
10406 |
86.2 |
-13.0 |
0.755 |
3 |
0 |
0 |
0.061 |
| 14 |
23 |
|
[SO4]A:803 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
10401 |
85.8 |
-13.3 |
0.748 |
3 |
0 |
0 |
0.062 |
| 15 |
24 |
|
[SO4]F:802 |
4 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
10615 |
74.9 |
-9.5 |
0.823 |
3 |
0 |
0 |
0.046 |
| 16 |
25 |
|
[SO4]E:801 |
4 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
10450 |
74.1 |
-9.9 |
0.795 |
2 |
0 |
0 |
0.028 |
| 17 |
26 |
|
[SO4]B:801 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10452 |
72.6 |
-9.7 |
0.811 |
3 |
0 |
0 |
0.043 |
| 18 |
27 |
|
[SO4]C:801 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10406 |
71.5 |
-9.3 |
0.815 |
3 |
0 |
0 |
0.045 |
| 19 |
28 |
|
[SO4]D:802 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10518 |
67.1 |
-8.2 |
0.836 |
2 |
0 |
0 |
0.039 |
| 20 |
29 |
|
[SO4]A:802 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
10401 |
64.3 |
-8.0 |
0.838 |
2 |
0 |
0 |
0.038 |
| 21 |
30 |
|
[NI]D:804 |
1 |
1 |
115 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
6 |
10406 |
50.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.065 |
31 |
|
[NI]A:804 |
1 |
1 |
115 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
12 |
6 |
10518 |
48.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.065 |
32 |
|
[NI]F:804 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
10401 |
46.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.065 |
| Average: |
48.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.065 |
| 22 |
33 |
|
[SO4]D:801 |
4 |
1 |
187 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
4 |
10406 |
48.7 |
-5.2 |
0.843 |
1 |
0 |
0 |
0.024 |
| 23 |
34 |
|
[SO4]A:801 |
4 |
1 |
187 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
7 |
4 |
10518 |
48.3 |
-4.9 |
0.863 |
1 |
0 |
0 |
0.023 |
| 24 |
35 |
|
[CA]E:803 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
10450 |
44.8 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.102 |
36 |
|
[CA]F:805 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
10615 |
44.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.102 |
37 |
|
[CA]C:803 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
10406 |
43.9 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.102 |
| Average: |
44.3 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.102 |
| 25 |
38 |
|
[SO4]F:801 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
10401 |
42.1 |
-4.6 |
0.800 |
0 |
0 |
0 |
0.019 |
| 26 |
39 |
|
[NI]F:804 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
10615 |
37.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.048 |
40 |
|
[NI]A:804 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10401 |
36.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.048 |
41 |
|
[NI]D:804 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
10518 |
35.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
36.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.048 |
| 27 |
42 |
|
[NI]F:804 |
1 |
1 |
115 |
f |
[SO4]F:801 |
x,y,z |
1_555 |
3 |
1 |
187 |
30.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| 28 |
43 |
|
[NI]A:804 |
1 |
1 |
115 |
f |
[SO4]A:801 |
x,y,z |
1_555 |
3 |
1 |
187 |
29.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.027 |
| 29 |
44 |
|
[NI]D:804 |
1 |
1 |
115 |
f |
[SO4]D:801 |
x,y,z |
1_555 |
3 |
1 |
187 |
29.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.027 |
| 30 |
45 |
|
[SO4]E:801 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
10401 |
29.4 |
-2.6 |
0.956 |
1 |
0 |
0 |
0.000 |
| 31 |
46 |
|
E |
4 |
1 |
10450 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
10518 |
28.3 |
0.5 |
0.701 |
0 |
0 |
0 |
0.000 |
| 32 |
47 |
|
[SO4]B:801 |
4 |
1 |
186 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
10518 |
25.1 |
-2.0 |
0.943 |
0 |
0 |
0 |
0.000 |
| 33 |
48 |
|
[SO4]D:803 |
3 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
10615 |
16.9 |
-2.1 |
0.655 |
0 |
0 |
0 |
0.000 |
| 34 |
49 |
|
C |
1 |
1 |
10406 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
10452 |
9.0 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
| 35 |
50 |
|
[SO4]E:801 |
1 |
1 |
187 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
10518 |
7.7 |
-0.9 |
0.774 |
0 |
0 |
0 |
0.000 |
| 36 |
51 |
|
[SO4]E:802 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10518 |
1.2 |
-0.2 |
0.686 |
0 |
0 |
0 |
0.000 |
|