## |
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 |
|
[SUE]A:1201 |
44 |
1 |
996 |
f |
A |
x,y,z |
1_555 |
68 |
23 |
8417 |
527.9 |
-9.7 |
0.682 |
8 |
0 |
0 |
0.079 |
2 |
|
[SUE]C:1201 |
44 |
1 |
974 |
f |
C |
x,y,z |
1_555 |
74 |
23 |
8310 |
527.7 |
-9.7 |
0.652 |
8 |
0 |
0 |
0.079 |
3 |
|
[SUE]D:1201 |
43 |
1 |
993 |
f |
D |
x,y,z |
1_555 |
67 |
22 |
8429 |
524.9 |
-10.4 |
0.630 |
7 |
0 |
0 |
0.079 |
4 |
|
[SUE]B:1201 |
44 |
1 |
988 |
f |
B |
x,y,z |
1_555 |
67 |
23 |
8648 |
509.9 |
-10.2 |
0.556 |
9 |
0 |
0 |
0.079 |
Average: |
522.6 |
-10.0 |
0.630 |
8 |
0 |
0 |
0.079 |
2 |
5 |
|
A |
45 |
15 |
8417 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
54 |
15 |
8648 |
458.1 |
-2.5 |
0.556 |
6 |
0 |
0 |
0.000 |
6 |
|
A |
49 |
17 |
8417 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
50 |
15 |
8648 |
409.6 |
-4.1 |
0.464 |
1 |
0 |
0 |
0.000 |
Average: |
433.9 |
-3.3 |
0.510 |
4 |
0 |
0 |
0.000 |
3 |
7 |
|
C |
52 |
15 |
8310 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
8417 |
447.0 |
-3.9 |
0.510 |
4 |
0 |
0 |
0.000 |
8 |
|
B |
46 |
12 |
8648 |
◊ |
D |
x-1,y,z-1 |
1_454 |
48 |
14 |
8429 |
407.3 |
-2.6 |
0.632 |
4 |
0 |
0 |
0.000 |
Average: |
427.2 |
-3.3 |
0.571 |
4 |
0 |
0 |
0.000 |
4 |
9 |
|
B |
40 |
13 |
8648 |
◊ |
A |
x,y,z |
1_555 |
54 |
19 |
8417 |
421.7 |
-1.9 |
0.697 |
4 |
0 |
0 |
0.000 |
5 |
10 |
|
C |
26 |
13 |
8310 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
31 |
13 |
8429 |
315.1 |
-1.3 |
0.622 |
6 |
0 |
0 |
0.008 |
6 |
11 |
|
B |
32 |
12 |
8648 |
◊ |
C |
x-1,y,z |
1_455 |
36 |
11 |
8310 |
295.2 |
-4.3 |
0.317 |
4 |
0 |
0 |
0.000 |
7 |
12 |
|
C |
30 |
7 |
8310 |
◊ |
[SUE]B:1201 |
-x+1,y-1/2,-z |
2_645 |
26 |
1 |
988 |
244.0 |
-4.6 |
0.679 |
0 |
0 |
0 |
0.000 |
13 |
|
[SUE]A:1201 |
26 |
1 |
996 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
7 |
8429 |
241.6 |
-4.3 |
0.705 |
0 |
0 |
0 |
0.000 |
Average: |
242.8 |
-4.4 |
0.692 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
A |
29 |
10 |
8417 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
11 |
8310 |
231.9 |
-2.2 |
0.525 |
3 |
2 |
0 |
0.000 |
9 |
15 |
|
C |
22 |
8 |
8310 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
8648 |
209.2 |
0.1 |
0.748 |
3 |
0 |
0 |
0.000 |
10 |
16 |
|
[SUE]C:1201 |
26 |
1 |
974 |
◊ |
[SUE]D:1201 |
-x+1,y-1/2,-z |
2_645 |
24 |
1 |
993 |
197.4 |
-4.9 |
0.976 |
0 |
0 |
0 |
0.010 |
11 |
17 |
|
C |
22 |
8 |
8310 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
8 |
8429 |
190.3 |
-2.0 |
0.468 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
B |
21 |
7 |
8648 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
8 |
8429 |
182.8 |
-1.3 |
0.558 |
3 |
1 |
0 |
0.000 |
13 |
19 |
|
A |
19 |
7 |
8417 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
9 |
8429 |
179.4 |
-2.0 |
0.435 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
13 |
7 |
8310 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
14 |
4 |
8648 |
132.4 |
-1.9 |
0.342 |
0 |
0 |
0 |
0.000 |
Average: |
155.9 |
-1.9 |
0.388 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
D |
17 |
5 |
8429 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
8417 |
158.2 |
-1.9 |
0.429 |
3 |
0 |
0 |
0.000 |
15 |
22 |
|
A |
9 |
5 |
8417 |
◊ |
[SUE]B:1201 |
-x,y-1/2,-z |
2_545 |
11 |
1 |
988 |
99.7 |
0.6 |
0.929 |
0 |
0 |
0 |
0.000 |
23 |
|
[SUE]A:1201 |
6 |
1 |
996 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
8648 |
67.5 |
-0.5 |
0.759 |
0 |
0 |
0 |
0.000 |
Average: |
83.6 |
0.1 |
0.844 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
C |
8 |
5 |
8310 |
◊ |
[SUE]D:1201 |
-x+1,y-1/2,-z |
2_645 |
5 |
1 |
993 |
58.8 |
-1.3 |
0.539 |
0 |
0 |
0 |
0.005 |
25 |
|
[SUE]C:1201 |
4 |
1 |
974 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
8429 |
57.2 |
-1.3 |
0.450 |
0 |
0 |
0 |
0.005 |
Average: |
58.0 |
-1.3 |
0.494 |
0 |
0 |
0 |
0.005 |
17 |
26 |
|
[SO4]A:1202 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8417 |
55.8 |
-7.2 |
0.619 |
0 |
0 |
0 |
0.035 |
18 |
27 |
|
[SO4]A:1202 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
8429 |
48.7 |
-6.2 |
0.806 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
B |
3 |
2 |
8648 |
f |
[ZN]C:1202 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
19.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.037 |
20 |
29 |
|
[ZN]A:1203 |
1 |
1 |
98 |
f |
C |
x-1,y,z |
1_455 |
2 |
1 |
8310 |
13.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
|
[ZN]B:1202 |
1 |
1 |
98 |
f |
D |
x,y,z-1 |
1_554 |
2 |
1 |
8429 |
8.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
10.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.027 |
21 |
31 |
|
C |
1 |
1 |
8310 |
f |
[ZN]D:1202 |
x,y,z-1 |
1_554 |
1 |
1 |
98 |
6.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.013 |
|