## |
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 |
|
J |
76 |
21 |
7423 |
◊ |
E |
x,y,z |
1_555 |
75 |
19 |
7468 |
693.7 |
-9.9 |
0.127 |
6 |
0 |
0 |
1.000 |
2 |
|
F |
71 |
20 |
7563 |
◊ |
A |
x,y,z |
1_555 |
73 |
19 |
7480 |
689.5 |
-11.3 |
0.070 |
6 |
0 |
0 |
1.000 |
3 |
|
I |
70 |
18 |
7515 |
◊ |
D |
x,y,z |
1_555 |
70 |
19 |
7390 |
664.5 |
-11.7 |
0.068 |
5 |
0 |
0 |
1.000 |
4 |
|
G |
68 |
18 |
7469 |
◊ |
B |
x,y,z |
1_555 |
66 |
18 |
7464 |
663.6 |
-11.2 |
0.063 |
5 |
0 |
0 |
1.000 |
5 |
|
H |
70 |
19 |
7616 |
◊ |
C |
x,y,z |
1_555 |
70 |
18 |
7437 |
662.7 |
-11.5 |
0.069 |
6 |
0 |
0 |
1.000 |
Average: |
674.8 |
-11.1 |
0.079 |
6 |
0 |
0 |
1.000 |
2 |
6 |
|
C |
46 |
16 |
7437 |
◊ |
A |
x,-y,-z |
4_555 |
46 |
15 |
7480 |
419.4 |
0.7 |
0.772 |
13 |
1 |
0 |
0.000 |
7 |
|
B |
39 |
14 |
7464 |
◊ |
B |
x,-y,-z |
4_555 |
39 |
14 |
7464 |
371.7 |
-0.6 |
0.669 |
10 |
0 |
0 |
0.000 |
Average: |
395.5 |
0.0 |
0.720 |
12 |
1 |
0 |
0.000 |
3 |
8 |
|
G |
40 |
11 |
7469 |
◊ |
F |
x,y,z |
1_555 |
41 |
16 |
7563 |
411.6 |
2.0 |
0.800 |
7 |
2 |
0 |
0.000 |
9 |
|
C |
39 |
14 |
7437 |
◊ |
I |
x-1/2,y-1/2,z |
5_445 |
41 |
13 |
7515 |
358.3 |
-1.0 |
0.580 |
4 |
0 |
0 |
0.000 |
10 |
|
J |
40 |
12 |
7423 |
◊ |
I |
x,y,z |
1_555 |
46 |
16 |
7515 |
349.0 |
-1.0 |
0.605 |
5 |
2 |
0 |
0.000 |
11 |
|
H |
37 |
14 |
7616 |
◊ |
F |
x,y,z |
1_555 |
37 |
12 |
7563 |
332.0 |
0.3 |
0.696 |
5 |
3 |
0 |
0.000 |
12 |
|
H |
39 |
11 |
7616 |
◊ |
G |
x,y,z |
1_555 |
34 |
12 |
7469 |
314.2 |
-0.1 |
0.661 |
4 |
0 |
0 |
0.000 |
13 |
|
C |
35 |
9 |
7437 |
◊ |
J |
x-1/2,y-1/2,z |
5_445 |
34 |
13 |
7423 |
296.4 |
-1.4 |
0.541 |
3 |
0 |
0 |
0.000 |
Average: |
343.6 |
-0.2 |
0.647 |
5 |
1 |
0 |
0.000 |
4 |
14 |
|
I |
40 |
12 |
7515 |
◊ |
D |
x,-y,-z |
4_555 |
43 |
13 |
7390 |
390.3 |
-0.9 |
0.656 |
5 |
2 |
0 |
0.000 |
5 |
15 |
|
E |
37 |
13 |
7468 |
◊ |
A |
x,y,z |
1_555 |
36 |
13 |
7480 |
332.0 |
-3.9 |
0.274 |
1 |
0 |
0 |
0.000 |
6 |
16 |
|
H |
34 |
13 |
7616 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
35 |
12 |
7390 |
317.1 |
-1.3 |
0.573 |
2 |
0 |
0 |
0.000 |
17 |
|
C |
32 |
12 |
7437 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
31 |
12 |
7480 |
283.1 |
-2.0 |
0.492 |
4 |
0 |
0 |
0.000 |
Average: |
300.1 |
-1.7 |
0.532 |
3 |
0 |
0 |
0.000 |
7 |
18 |
|
F |
28 |
10 |
7563 |
◊ |
E |
x,y,z |
1_555 |
40 |
15 |
7468 |
280.6 |
1.5 |
0.792 |
4 |
1 |
0 |
0.000 |
8 |
19 |
|
A |
27 |
8 |
7480 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
27 |
7 |
7390 |
277.4 |
-4.0 |
0.228 |
1 |
0 |
0 |
0.000 |
9 |
20 |
|
D |
43 |
15 |
7390 |
◊ |
B |
x,y,z |
1_555 |
31 |
13 |
7464 |
269.9 |
-2.8 |
0.452 |
2 |
1 |
0 |
0.000 |
10 |
21 |
|
G |
28 |
11 |
7469 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
30 |
8 |
7464 |
254.0 |
-3.9 |
0.243 |
1 |
0 |
0 |
0.000 |
11 |
22 |
|
I |
26 |
9 |
7515 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
7464 |
213.7 |
2.9 |
0.902 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
H |
22 |
8 |
7616 |
◊ |
F |
x,-y,-z |
4_555 |
24 |
8 |
7563 |
206.6 |
0.3 |
0.653 |
3 |
0 |
0 |
0.000 |
24 |
|
G |
21 |
7 |
7469 |
◊ |
G |
x,-y,-z |
4_555 |
21 |
7 |
7469 |
187.2 |
-0.1 |
0.638 |
4 |
0 |
0 |
0.000 |
Average: |
196.9 |
0.1 |
0.646 |
4 |
0 |
0 |
0.000 |
13 |
25 |
|
I |
15 |
5 |
7515 |
◊ |
B |
x,-y,-z |
4_555 |
13 |
4 |
7464 |
123.2 |
-0.1 |
0.630 |
2 |
0 |
0 |
0.000 |
14 |
26 |
|
D |
13 |
4 |
7390 |
◊ |
D |
x,-y,-z |
4_555 |
13 |
4 |
7390 |
107.4 |
-1.3 |
0.444 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
I |
9 |
6 |
7515 |
◊ |
F |
-x+1,y,-z+1/2 |
3_655 |
10 |
6 |
7563 |
79.1 |
-1.7 |
0.269 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
[SO4]F:200 |
4 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
7563 |
69.6 |
-6.2 |
0.965 |
3 |
0 |
0 |
0.224 |
17 |
29 |
|
[CU]F:154 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
5 |
5 |
7563 |
62.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.637 |
30 |
|
[CU]H:154 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
3 |
3 |
7616 |
62.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.637 |
31 |
|
[CU]C:154 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
7437 |
62.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.637 |
32 |
|
[CU]I:154 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
2 |
2 |
7515 |
62.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.637 |
Average: |
62.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.637 |
18 |
33 |
|
[SO4]F:200 |
5 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
7616 |
61.4 |
-6.3 |
0.925 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
I |
6 |
2 |
7515 |
◊ |
I |
x,-y,-z |
4_555 |
6 |
2 |
7515 |
42.7 |
0.7 |
0.788 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
[SO4]F:200 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
6 |
4 |
7469 |
40.4 |
-4.6 |
0.910 |
1 |
0 |
0 |
0.000 |
21 |
36 |
|
G |
3 |
1 |
7469 |
◊ |
G |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
7469 |
21.6 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
C |
1 |
1 |
7437 |
◊ |
F |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
7563 |
13.3 |
0.5 |
0.769 |
0 |
0 |
0 |
0.000 |
38 |
|
I |
2 |
1 |
7515 |
◊ |
H |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
7616 |
11.1 |
0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
Average: |
12.2 |
0.3 |
0.662 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
J |
2 |
2 |
7423 |
◊ |
B |
x,-y,-z |
4_555 |
2 |
1 |
7464 |
8.6 |
-0.2 |
0.485 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
J |
1 |
1 |
7423 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7464 |
4.6 |
0.2 |
0.824 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
D |
1 |
1 |
7390 |
◊ |
C |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
7437 |
0.4 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
|