## |
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 |
|
L |
145 |
37 |
9557 |
◊ |
F |
x,y,z |
1_555 |
174 |
44 |
8602 |
1594.2 |
-14.0 |
0.485 |
28 |
8 |
0 |
1.000 |
2 |
|
L |
182 |
46 |
9557 |
◊ |
H |
x,y,z |
1_555 |
145 |
34 |
8684 |
1591.9 |
-17.4 |
0.377 |
22 |
5 |
0 |
1.000 |
3 |
|
I |
145 |
32 |
9156 |
◊ |
A |
x,y,z |
1_555 |
176 |
43 |
8868 |
1582.8 |
-14.5 |
0.404 |
24 |
8 |
0 |
1.000 |
4 |
|
C |
173 |
44 |
8995 |
◊ |
A |
x,y,z |
1_555 |
137 |
31 |
8868 |
1571.3 |
-15.6 |
0.283 |
26 |
7 |
0 |
1.000 |
5 |
|
D |
173 |
44 |
8902 |
◊ |
B |
x,y,z |
1_555 |
145 |
33 |
8630 |
1565.4 |
-15.2 |
0.361 |
25 |
5 |
0 |
1.000 |
6 |
|
K |
175 |
44 |
9149 |
◊ |
G |
x,y,z |
1_555 |
139 |
31 |
8717 |
1564.2 |
-16.8 |
0.356 |
24 |
4 |
0 |
1.000 |
7 |
|
J |
175 |
44 |
8918 |
◊ |
D |
x,y,z |
1_555 |
145 |
32 |
8902 |
1554.7 |
-16.9 |
0.282 |
23 |
6 |
0 |
1.000 |
8 |
|
K |
139 |
32 |
9149 |
◊ |
E |
x,y,z |
1_555 |
172 |
42 |
8519 |
1534.2 |
-14.8 |
0.436 |
26 |
6 |
0 |
1.000 |
9 |
|
I |
169 |
43 |
9156 |
◊ |
C |
x,y,z |
1_555 |
135 |
31 |
8995 |
1529.7 |
-16.4 |
0.285 |
24 |
5 |
0 |
1.000 |
10 |
|
G |
170 |
42 |
8717 |
◊ |
E |
x,y,z |
1_555 |
140 |
32 |
8519 |
1525.6 |
-15.8 |
0.341 |
26 |
6 |
0 |
1.000 |
11 |
|
H |
161 |
42 |
8684 |
◊ |
F |
x,y,z |
1_555 |
132 |
31 |
8602 |
1487.5 |
-17.6 |
0.297 |
26 |
5 |
0 |
1.000 |
12 |
|
J |
124 |
29 |
8918 |
◊ |
B |
x,y,z |
1_555 |
153 |
40 |
8630 |
1379.1 |
-13.2 |
0.428 |
22 |
5 |
0 |
1.000 |
Average: |
1540.0 |
-15.7 |
0.361 |
25 |
6 |
0 |
1.000 |
2 |
13 |
|
K |
38 |
11 |
9149 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
32 |
11 |
9156 |
364.2 |
-4.8 |
0.359 |
5 |
0 |
0 |
0.000 |
14 |
|
L |
36 |
10 |
9557 |
◊ |
J |
x,y,z-1 |
1_554 |
37 |
11 |
8918 |
357.2 |
-5.2 |
0.325 |
6 |
0 |
0 |
0.000 |
Average: |
360.7 |
-5.0 |
0.342 |
6 |
0 |
0 |
0.000 |
3 |
15 |
|
F |
33 |
10 |
8602 |
◊ |
D |
x,y,z |
1_555 |
31 |
10 |
8902 |
302.4 |
-0.9 |
0.651 |
2 |
0 |
0 |
0.000 |
16 |
|
H |
33 |
10 |
8684 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
8630 |
292.6 |
-0.9 |
0.689 |
2 |
0 |
0 |
0.000 |
17 |
|
E |
28 |
9 |
8519 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
10 |
8995 |
286.5 |
-1.2 |
0.602 |
3 |
0 |
0 |
0.000 |
18 |
|
G |
29 |
10 |
8717 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
9 |
8868 |
272.4 |
-1.7 |
0.551 |
2 |
0 |
0 |
0.000 |
Average: |
288.5 |
-1.2 |
0.624 |
2 |
0 |
0 |
0.000 |
4 |
19 |
|
J |
29 |
6 |
8918 |
◊ |
C |
x,y,z |
1_555 |
31 |
10 |
8995 |
284.0 |
-4.1 |
0.309 |
4 |
0 |
0 |
0.003 |
5 |
20 |
|
C |
25 |
10 |
8995 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
13 |
8868 |
246.9 |
1.7 |
0.828 |
5 |
6 |
0 |
0.000 |
21 |
|
D |
25 |
10 |
8902 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
28 |
12 |
8630 |
226.8 |
0.0 |
0.725 |
4 |
4 |
0 |
0.000 |
Average: |
236.9 |
0.8 |
0.776 |
5 |
5 |
0 |
0.000 |
6 |
22 |
|
H |
19 |
4 |
8684 |
◊ |
G |
x-1,y,z-1 |
1_454 |
23 |
7 |
8717 |
225.2 |
-2.5 |
0.421 |
0 |
0 |
0 |
0.000 |
7 |
23 |
|
C |
21 |
7 |
8995 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
8630 |
202.8 |
-2.1 |
0.426 |
1 |
2 |
0 |
0.001 |
8 |
24 |
|
L |
14 |
4 |
9557 |
◊ |
G |
x-1,y,z-1 |
1_454 |
24 |
8 |
8717 |
167.0 |
1.0 |
0.797 |
2 |
0 |
0 |
0.000 |
9 |
25 |
|
L |
16 |
6 |
9557 |
◊ |
I |
x-1,y,z-1 |
1_454 |
17 |
6 |
9156 |
132.6 |
0.4 |
0.666 |
3 |
1 |
0 |
0.000 |
10 |
26 |
|
E |
12 |
4 |
8519 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
5 |
8868 |
122.8 |
0.5 |
0.735 |
1 |
0 |
0 |
0.000 |
27 |
|
F |
13 |
4 |
8602 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
8630 |
114.3 |
-1.2 |
0.504 |
0 |
0 |
0 |
0.000 |
Average: |
118.6 |
-0.3 |
0.619 |
1 |
0 |
0 |
0.000 |
11 |
28 |
|
L |
12 |
4 |
9557 |
◊ |
K |
x,y,z |
1_555 |
15 |
5 |
9149 |
116.4 |
1.9 |
0.871 |
4 |
1 |
0 |
0.000 |
12 |
29 |
|
L |
11 |
4 |
9557 |
◊ |
G |
x,y,z |
1_555 |
14 |
3 |
8717 |
113.5 |
-1.5 |
0.410 |
0 |
0 |
0 |
0.000 |
13 |
30 |
|
F |
14 |
4 |
8602 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
8 |
4 |
9156 |
98.9 |
-0.3 |
0.581 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
B |
14 |
3 |
8630 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
8868 |
90.0 |
-0.4 |
0.582 |
1 |
2 |
0 |
0.000 |
15 |
32 |
|
J |
8 |
3 |
8918 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
3 |
8519 |
87.9 |
-0.6 |
0.529 |
1 |
0 |
0 |
0.000 |
16 |
33 |
|
K |
10 |
3 |
9149 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
8 |
4 |
8684 |
85.6 |
0.7 |
0.630 |
1 |
0 |
0 |
0.000 |
17 |
34 |
|
[SO4]B:201 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
8630 |
61.8 |
-7.8 |
0.727 |
0 |
0 |
0 |
0.100 |
18 |
35 |
|
[SO4]F:201 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
8602 |
61.1 |
-7.8 |
0.713 |
0 |
0 |
0 |
0.100 |
19 |
36 |
|
[SO4]C:201 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
8995 |
60.8 |
-7.7 |
0.718 |
0 |
0 |
0 |
0.100 |
20 |
37 |
|
[SO4]F:201 |
4 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
11 |
6 |
9557 |
60.0 |
-7.5 |
0.736 |
0 |
0 |
0 |
0.070 |
21 |
38 |
|
H |
5 |
2 |
8684 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
8995 |
58.3 |
-0.2 |
0.603 |
1 |
0 |
0 |
0.000 |
22 |
39 |
|
[SO4]C:201 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
11 |
6 |
9156 |
57.4 |
-7.3 |
0.732 |
0 |
0 |
0 |
0.070 |
23 |
40 |
|
[SO4]B:201 |
5 |
1 |
186 |
◊ |
J |
x,y,z |
1_555 |
10 |
6 |
8918 |
55.7 |
-7.0 |
0.750 |
0 |
0 |
0 |
0.070 |
24 |
41 |
|
[SO4]C:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
8868 |
55.5 |
-7.0 |
0.698 |
0 |
0 |
0 |
0.067 |
25 |
42 |
|
[SO4]B:201 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
8902 |
55.4 |
-7.3 |
0.696 |
0 |
0 |
0 |
0.072 |
26 |
43 |
|
[SO4]F:201 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
10 |
6 |
8684 |
53.2 |
-6.9 |
0.719 |
0 |
0 |
0 |
0.064 |
27 |
44 |
|
G |
5 |
3 |
8717 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
8684 |
50.9 |
0.2 |
0.652 |
1 |
2 |
0 |
0.000 |
28 |
45 |
|
E |
4 |
4 |
8519 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
9 |
6 |
8684 |
49.8 |
1.2 |
0.831 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
G |
1 |
1 |
8717 |
◊ |
L |
-x,y-1/2,-z-1 |
2_544 |
5 |
2 |
9557 |
44.3 |
-0.6 |
0.136 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
G |
3 |
1 |
8717 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
8995 |
41.9 |
-1.3 |
0.115 |
0 |
0 |
0 |
0.000 |
48 |
|
H |
3 |
1 |
8684 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
8902 |
38.7 |
-1.2 |
0.133 |
0 |
0 |
0 |
0.000 |
Average: |
40.3 |
-1.3 |
0.124 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
D |
5 |
1 |
8902 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
6 |
2 |
8918 |
39.8 |
-0.2 |
0.598 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
5 |
1 |
8995 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
9156 |
38.5 |
-0.2 |
0.580 |
0 |
0 |
0 |
0.000 |
Average: |
39.2 |
-0.2 |
0.589 |
0 |
0 |
0 |
0.000 |
32 |
51 |
|
F |
3 |
1 |
8602 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
9156 |
35.7 |
1.1 |
0.875 |
0 |
0 |
0 |
0.000 |
33 |
52 |
|
K |
5 |
2 |
9149 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
8602 |
33.8 |
-0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
34 |
53 |
|
K |
4 |
2 |
9149 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
8995 |
33.3 |
0.1 |
0.684 |
1 |
0 |
0 |
0.000 |
54 |
|
H |
4 |
2 |
8684 |
◊ |
J |
x,y,z-1 |
1_554 |
3 |
2 |
8918 |
33.2 |
-0.1 |
0.592 |
1 |
0 |
0 |
0.000 |
55 |
|
L |
7 |
3 |
9557 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
2 |
8902 |
31.2 |
-0.6 |
0.471 |
0 |
0 |
0 |
0.000 |
56 |
|
G |
5 |
2 |
8717 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
5 |
3 |
9156 |
30.9 |
0.2 |
0.716 |
1 |
0 |
0 |
0.000 |
Average: |
32.2 |
-0.1 |
0.616 |
1 |
0 |
0 |
0.000 |
35 |
57 |
|
K |
3 |
2 |
9149 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
8902 |
23.4 |
-0.7 |
0.202 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
F |
2 |
1 |
8602 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
8868 |
21.0 |
1.0 |
0.890 |
0 |
0 |
0 |
0.000 |
37 |
59 |
|
F |
2 |
1 |
8602 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
8995 |
17.6 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
38 |
60 |
|
L |
1 |
1 |
9557 |
x |
L |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
9557 |
17.6 |
-0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
39 |
61 |
|
G |
2 |
1 |
8717 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8868 |
16.0 |
-0.5 |
0.309 |
0 |
0 |
0 |
0.000 |
62 |
|
B |
1 |
1 |
8630 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
1 |
1 |
8684 |
2.8 |
-0.1 |
0.442 |
0 |
0 |
0 |
0.000 |
Average: |
9.4 |
-0.3 |
0.375 |
0 |
0 |
0 |
0.000 |
40 |
63 |
|
J |
2 |
2 |
8918 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
8868 |
11.8 |
-0.4 |
0.356 |
0 |
0 |
0 |
0.000 |
41 |
64 |
|
K |
1 |
1 |
9149 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8902 |
9.8 |
-0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
42 |
65 |
|
J |
2 |
1 |
8918 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
8717 |
9.1 |
0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
43 |
66 |
|
J |
2 |
2 |
8918 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9156 |
7.3 |
-0.2 |
0.389 |
0 |
0 |
0 |
0.000 |
44 |
67 |
|
F |
1 |
1 |
8602 |
◊ |
L |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
9557 |
5.5 |
0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
45 |
68 |
|
B |
2 |
1 |
8630 |
x |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
8630 |
3.5 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
69 |
|
A |
1 |
1 |
8868 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
8868 |
1.5 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
Average: |
2.5 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
46 |
70 |
|
G |
1 |
1 |
8717 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8602 |
1.7 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
47 |
71 |
|
J |
1 |
1 |
8918 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
8868 |
0.1 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
|