## |
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 |
71 |
21 |
8082 |
◊ |
C |
x,y,z |
1_555 |
66 |
22 |
8120 |
546.7 |
-2.9 |
0.346 |
2 |
1 |
0 |
0.000 |
2 |
|
A |
66 |
20 |
7889 |
◊ |
B |
x-1,y+1,z |
1_465 |
67 |
20 |
8120 |
532.0 |
-2.7 |
0.307 |
2 |
0 |
0 |
0.000 |
3 |
|
C |
65 |
20 |
8120 |
◊ |
D |
x-1,y+1,z |
1_465 |
59 |
20 |
8082 |
524.0 |
-2.9 |
0.302 |
1 |
1 |
0 |
0.000 |
4 |
|
B |
52 |
14 |
8120 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
7889 |
348.2 |
-2.2 |
0.386 |
0 |
0 |
0 |
0.000 |
Average: |
487.7 |
-2.7 |
0.335 |
1 |
1 |
0 |
0.000 |
2 |
5 |
|
C |
42 |
9 |
8120 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
7889 |
353.5 |
-2.0 |
0.370 |
4 |
0 |
0 |
0.000 |
6 |
|
D |
37 |
12 |
8082 |
◊ |
B |
x,y,z |
1_555 |
42 |
10 |
8120 |
350.9 |
-2.4 |
0.362 |
4 |
0 |
0 |
0.000 |
7 |
|
C |
34 |
12 |
8120 |
◊ |
A |
x,y,z-1 |
1_554 |
42 |
9 |
7889 |
339.5 |
-1.8 |
0.396 |
4 |
0 |
0 |
0.000 |
8 |
|
D |
40 |
10 |
8082 |
◊ |
B |
x,y,z-1 |
1_554 |
33 |
11 |
8120 |
336.9 |
-0.4 |
0.566 |
5 |
0 |
0 |
0.000 |
Average: |
345.2 |
-1.7 |
0.423 |
4 |
0 |
0 |
0.000 |
3 |
9 |
|
B |
33 |
9 |
8120 |
◊ |
A |
x,y-1,z |
1_545 |
35 |
10 |
7889 |
292.3 |
-2.4 |
0.308 |
2 |
0 |
0 |
0.000 |
4 |
10 |
|
A |
27 |
9 |
7889 |
◊ |
D |
x-1,y+1,z |
1_465 |
27 |
9 |
8082 |
223.6 |
-2.5 |
0.255 |
4 |
0 |
0 |
0.000 |
11 |
|
C |
8 |
2 |
8120 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
6 |
8120 |
56.6 |
-0.4 |
0.459 |
0 |
0 |
0 |
0.000 |
Average: |
140.1 |
-1.5 |
0.357 |
2 |
0 |
0 |
0.000 |
5 |
12 |
|
A |
23 |
6 |
7889 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
6 |
8120 |
174.8 |
0.6 |
0.648 |
4 |
0 |
0 |
0.000 |
6 |
13 |
|
[DTV]C:165 |
8 |
1 |
297 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
8082 |
165.6 |
-4.6 |
0.334 |
0 |
0 |
0 |
0.030 |
14 |
|
[DTV]C:164 |
8 |
1 |
295 |
f |
C |
x,y,z |
1_555 |
24 |
8 |
8120 |
163.7 |
-4.3 |
0.337 |
1 |
0 |
0 |
0.030 |
15 |
|
[DTV]A:164 |
8 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
7889 |
162.8 |
-4.6 |
0.320 |
1 |
0 |
0 |
0.030 |
16 |
|
[DTV]B:164 |
8 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
8120 |
162.1 |
-4.4 |
0.336 |
1 |
0 |
0 |
0.030 |
Average: |
163.6 |
-4.5 |
0.332 |
1 |
0 |
0 |
0.030 |
7 |
17 |
|
[SO4]C:166 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
8120 |
108.9 |
-17.3 |
0.623 |
6 |
0 |
0 |
0.081 |
8 |
18 |
|
[SO4]D:164 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
8082 |
100.9 |
-15.3 |
0.827 |
5 |
0 |
0 |
0.079 |
9 |
19 |
|
[SO4]B:165 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8120 |
99.0 |
-14.8 |
0.877 |
7 |
0 |
0 |
0.078 |
10 |
20 |
|
[SO4]A:165 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
7889 |
76.3 |
-10.6 |
0.613 |
2 |
0 |
0 |
0.070 |
11 |
21 |
|
B |
6 |
2 |
8120 |
x |
B |
x,y-1,z |
1_545 |
8 |
2 |
8120 |
76.1 |
-1.5 |
0.123 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
A |
5 |
2 |
7889 |
◊ |
C |
x-1,y,z+1 |
1_456 |
6 |
2 |
8120 |
55.0 |
0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
[DTV]C:165 |
5 |
1 |
297 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
8120 |
53.7 |
0.3 |
0.652 |
2 |
0 |
0 |
0.000 |
24 |
|
[DTV]C:164 |
4 |
1 |
295 |
◊ |
D |
x-1,y+1,z |
1_465 |
9 |
2 |
8082 |
51.0 |
0.2 |
0.628 |
2 |
0 |
0 |
0.000 |
25 |
|
A |
9 |
2 |
7889 |
◊ |
[DTV]B:164 |
x-1,y+1,z |
1_465 |
4 |
1 |
296 |
48.7 |
0.3 |
0.632 |
2 |
0 |
0 |
0.000 |
Average: |
51.1 |
0.3 |
0.637 |
2 |
0 |
0 |
0.000 |
14 |
26 |
|
C |
6 |
3 |
8120 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
8120 |
40.7 |
0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
C |
4 |
3 |
8120 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
8120 |
25.7 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
4 |
3 |
7889 |
◊ |
D |
x-1,y+1,z+1 |
1_466 |
4 |
3 |
8082 |
20.0 |
-0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
Average: |
22.9 |
0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
A |
3 |
1 |
7889 |
◊ |
[SO4]A:165 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
23.1 |
-2.4 |
0.878 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
D |
3 |
2 |
8082 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
8120 |
22.3 |
0.7 |
0.732 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[SO4]B:165 |
1 |
1 |
185 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
8120 |
8.2 |
-0.9 |
0.728 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[DTV]C:164 |
3 |
1 |
295 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7889 |
7.2 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
33 |
|
[DTV]B:164 |
2 |
1 |
296 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
8082 |
4.8 |
0.1 |
0.495 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
2 |
2 |
8120 |
◊ |
[DTV]A:164 |
x,y,z-1 |
1_554 |
3 |
1 |
294 |
4.0 |
0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
35 |
|
[DTV]C:165 |
1 |
1 |
297 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
8120 |
0.3 |
0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
0.1 |
0.504 |
0 |
0 |
0 |
0.000 |
20 |
36 |
|
[SO4]A:165 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8120 |
5.2 |
-0.7 |
0.592 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
A |
1 |
1 |
7889 |
◊ |
[SO4]B:165 |
x-1,y+1,z |
1_465 |
1 |
1 |
185 |
3.2 |
-0.3 |
0.900 |
0 |
0 |
0 |
0.000 |
22 |
38 |
|
D |
1 |
1 |
8082 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
7889 |
3.2 |
0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
[SO4]B:165 |
1 |
1 |
185 |
f |
[DTV]B:164 |
x,y,z |
1_555 |
1 |
1 |
296 |
3.1 |
-0.3 |
0.500 |
0 |
0 |
0 |
0.001 |
|