| ## |
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 |
173 |
51 |
14939 |
◊ |
C |
x,y,z |
1_555 |
180 |
51 |
14900 |
1719.2 |
-16.9 |
0.150 |
25 |
19 |
0 |
0.430 |
2 |
|
E |
173 |
48 |
14862 |
◊ |
E |
y-1,x+1,-z |
4_465 |
172 |
48 |
14862 |
1716.6 |
-20.3 |
0.060 |
7 |
20 |
0 |
0.430 |
3 |
|
B |
174 |
52 |
15085 |
◊ |
A |
x,y,z |
1_555 |
174 |
49 |
14774 |
1716.0 |
-17.8 |
0.107 |
20 |
18 |
0 |
0.430 |
4 |
|
F |
174 |
50 |
14999 |
◊ |
F |
y-1,x+1,-z |
4_465 |
171 |
50 |
14999 |
1698.5 |
-18.9 |
0.073 |
9 |
16 |
0 |
0.430 |
| Average: |
1712.6 |
-18.5 |
0.097 |
15 |
18 |
0 |
0.430 |
| 2 |
5 |
|
C |
72 |
20 |
14900 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
14774 |
694.4 |
-13.3 |
0.025 |
4 |
3 |
0 |
0.301 |
6 |
|
F |
67 |
21 |
14999 |
◊ |
E |
x,y,z |
1_555 |
69 |
19 |
14862 |
648.2 |
-12.7 |
0.021 |
4 |
3 |
0 |
0.301 |
7 |
|
D |
64 |
19 |
14939 |
◊ |
B |
x,y,z |
1_555 |
64 |
21 |
15085 |
625.9 |
-11.5 |
0.034 |
4 |
2 |
0 |
0.301 |
| Average: |
656.2 |
-12.5 |
0.026 |
4 |
3 |
0 |
0.301 |
| 3 |
8 |
|
[NAP]C:402 |
44 |
1 |
878 |
f |
C |
x,y,z |
1_555 |
77 |
32 |
14900 |
584.9 |
-2.8 |
0.482 |
3 |
0 |
0 |
0.140 |
9 |
|
[NAP]A:402 |
44 |
1 |
896 |
f |
A |
x,y,z |
1_555 |
84 |
36 |
14774 |
567.3 |
-4.3 |
0.431 |
3 |
0 |
0 |
0.140 |
| Average: |
576.1 |
-3.6 |
0.456 |
3 |
0 |
0 |
0.140 |
| 4 |
10 |
|
F |
47 |
14 |
14999 |
◊ |
E |
y-1,x+1,-z |
4_465 |
49 |
16 |
14862 |
475.6 |
-0.6 |
0.636 |
0 |
0 |
0 |
0.020 |
11 |
|
C |
50 |
16 |
14900 |
◊ |
B |
x,y,z |
1_555 |
47 |
13 |
15085 |
463.7 |
-1.1 |
0.570 |
1 |
0 |
0 |
0.020 |
12 |
|
D |
47 |
13 |
14939 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
14774 |
454.9 |
-1.4 |
0.567 |
1 |
1 |
0 |
0.020 |
| Average: |
464.7 |
-1.1 |
0.591 |
1 |
0 |
0 |
0.020 |
| 5 |
13 |
|
F |
53 |
17 |
14999 |
◊ |
E |
-x-2,-x+y-1,-z+1/3 |
6_345 |
48 |
16 |
14862 |
456.9 |
-1.4 |
0.563 |
0 |
1 |
0 |
0.000 |
14 |
|
B |
48 |
16 |
15085 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
45 |
16 |
14900 |
445.9 |
-1.6 |
0.494 |
0 |
2 |
0 |
0.000 |
15 |
|
D |
46 |
16 |
14939 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
48 |
15 |
14774 |
431.2 |
0.1 |
0.696 |
1 |
1 |
0 |
0.000 |
| Average: |
444.7 |
-1.0 |
0.584 |
0 |
1 |
0 |
0.000 |
| 6 |
16 |
|
F |
28 |
11 |
14999 |
◊ |
C |
y-2,x,-z |
4_355 |
29 |
10 |
14900 |
248.0 |
-0.0 |
0.579 |
2 |
0 |
0 |
0.000 |
17 |
|
A |
21 |
6 |
14774 |
◊ |
D |
y-1,x,-z |
4_455 |
17 |
7 |
14939 |
184.3 |
0.1 |
0.635 |
2 |
0 |
0 |
0.000 |
18 |
|
E |
17 |
5 |
14862 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
15085 |
163.9 |
0.3 |
0.669 |
2 |
0 |
0 |
0.000 |
| Average: |
198.7 |
0.1 |
0.628 |
2 |
0 |
0 |
0.000 |
| 7 |
19 |
|
F |
20 |
7 |
14999 |
◊ |
F |
-x-2,-x+y-1,-z+1/3 |
6_345 |
20 |
7 |
14999 |
180.0 |
0.6 |
0.714 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
15 |
6 |
14939 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
18 |
5 |
14900 |
129.3 |
2.0 |
0.857 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
16 |
5 |
15085 |
◊ |
A |
-y,x-y+1,z+1/3 |
2_565 |
12 |
3 |
14774 |
117.0 |
-0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
22 |
|
E |
15 |
6 |
14862 |
◊ |
E |
-x-2,-x+y-1,-z+1/3 |
6_345 |
15 |
6 |
14862 |
115.4 |
1.5 |
0.817 |
0 |
0 |
0 |
0.000 |
| Average: |
135.4 |
1.0 |
0.755 |
0 |
0 |
0 |
0.000 |
| 8 |
23 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
15085 |
112.7 |
-14.9 |
0.831 |
3 |
0 |
0 |
0.223 |
| 9 |
24 |
|
[SO4]D:401 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
14939 |
112.3 |
-15.1 |
0.835 |
4 |
0 |
0 |
0.226 |
| 10 |
25 |
|
[SO4]E:401 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
21 |
12 |
14862 |
109.3 |
-15.3 |
0.874 |
5 |
0 |
0 |
0.570 |
| 11 |
26 |
|
[SO4]F:401 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
20 |
11 |
14999 |
106.2 |
-15.4 |
0.868 |
4 |
0 |
0 |
0.577 |
| 12 |
27 |
|
[SO4]A:401 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
14774 |
92.9 |
-11.9 |
0.948 |
4 |
0 |
0 |
0.196 |
| 13 |
28 |
|
[SO4]C:401 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
14900 |
88.0 |
-13.6 |
0.835 |
3 |
0 |
0 |
0.214 |
| 14 |
29 |
|
D |
13 |
4 |
14939 |
◊ |
D |
-x,-x+y,-z+1/3 |
6_555 |
13 |
4 |
14939 |
84.6 |
2.1 |
0.879 |
1 |
0 |
0 |
0.000 |
30 |
|
F |
6 |
3 |
14999 |
◊ |
B |
-x-2,-x+y-1,-z+1/3 |
6_345 |
9 |
4 |
15085 |
52.5 |
-0.8 |
0.376 |
0 |
0 |
0 |
0.000 |
| Average: |
68.5 |
0.7 |
0.628 |
1 |
0 |
0 |
0.000 |
| 15 |
31 |
|
[NAP]A:402 |
10 |
1 |
896 |
f |
[SO4]A:401 |
x,y,z |
1_555 |
4 |
1 |
186 |
57.9 |
-8.0 |
0.626 |
0 |
0 |
0 |
0.115 |
| 16 |
32 |
|
[NAP]C:402 |
11 |
1 |
878 |
f |
[SO4]C:401 |
x,y,z |
1_555 |
4 |
1 |
185 |
56.7 |
-7.4 |
0.695 |
1 |
0 |
0 |
0.112 |
| 17 |
33 |
|
E |
2 |
1 |
14862 |
◊ |
C |
-y,x-y+1,z+1/3 |
2_565 |
2 |
1 |
14900 |
26.7 |
1.2 |
0.939 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
2 |
1 |
14774 |
◊ |
A |
x-y,-y,-z-1/3 |
5_554 |
2 |
1 |
14774 |
24.5 |
1.2 |
0.939 |
0 |
0 |
0 |
0.000 |
| Average: |
25.6 |
1.2 |
0.939 |
0 |
0 |
0 |
0.000 |
|