## |
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 |
40 |
9 |
1290 |
◊ |
C |
x,y,z |
1_555 |
59 |
14 |
3660 |
471.3 |
-7.6 |
0.617 |
0 |
0 |
0 |
0.878 |
2 |
|
H |
36 |
9 |
1295 |
◊ |
B |
x,y,z |
1_555 |
60 |
15 |
3671 |
469.7 |
-7.4 |
0.542 |
0 |
0 |
0 |
0.878 |
3 |
|
K |
36 |
9 |
1296 |
◊ |
D |
x,y,z |
1_555 |
61 |
14 |
3706 |
468.8 |
-7.0 |
0.598 |
0 |
0 |
0 |
0.878 |
4 |
|
I |
37 |
9 |
1298 |
◊ |
F |
x,y,z |
1_555 |
60 |
15 |
3631 |
465.1 |
-7.3 |
0.553 |
0 |
0 |
0 |
0.878 |
5 |
|
G |
39 |
9 |
1296 |
◊ |
A |
x,y,z |
1_555 |
59 |
14 |
3848 |
463.8 |
-7.0 |
0.587 |
0 |
0 |
0 |
0.878 |
6 |
|
J |
37 |
9 |
1300 |
◊ |
E |
x,y,z |
1_555 |
58 |
13 |
3720 |
458.6 |
-7.5 |
0.584 |
0 |
0 |
0 |
0.878 |
Average: |
466.2 |
-7.3 |
0.580 |
0 |
0 |
0 |
0.878 |
2 |
7 |
|
E |
38 |
11 |
3720 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
3848 |
330.1 |
-4.0 |
0.300 |
2 |
0 |
0 |
0.012 |
3 |
8 |
|
C |
37 |
10 |
3660 |
◊ |
D |
-y-1,x-y-1,z+2/3 |
2_445 |
36 |
9 |
3706 |
307.8 |
1.0 |
0.778 |
2 |
0 |
0 |
0.000 |
9 |
|
B |
31 |
9 |
3671 |
◊ |
A |
-y,x-y,z+2/3 |
2_555 |
32 |
8 |
3848 |
279.1 |
0.6 |
0.721 |
1 |
0 |
0 |
0.000 |
10 |
|
E |
34 |
9 |
3720 |
◊ |
F |
-y-1,x-y,z-1/3 |
2_454 |
31 |
8 |
3631 |
261.6 |
0.2 |
0.712 |
2 |
1 |
0 |
0.000 |
Average: |
282.8 |
0.6 |
0.737 |
2 |
0 |
0 |
0.000 |
4 |
11 |
|
F |
30 |
9 |
3631 |
◊ |
E |
x,y,z |
1_555 |
30 |
10 |
3720 |
274.5 |
-2.3 |
0.422 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
34 |
10 |
3848 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
9 |
3671 |
264.6 |
-2.3 |
0.418 |
1 |
0 |
0 |
0.000 |
13 |
|
D |
32 |
10 |
3706 |
◊ |
C |
x,y,z-1 |
1_554 |
31 |
8 |
3660 |
256.7 |
-2.1 |
0.486 |
1 |
0 |
0 |
0.000 |
Average: |
265.3 |
-2.2 |
0.442 |
1 |
0 |
0 |
0.000 |
5 |
14 |
|
D |
27 |
9 |
3706 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
3671 |
259.8 |
-4.0 |
0.208 |
0 |
0 |
0 |
0.000 |
6 |
15 |
|
F |
30 |
11 |
3631 |
◊ |
C |
x,y,z |
1_555 |
26 |
10 |
3660 |
254.6 |
-2.7 |
0.367 |
0 |
0 |
0 |
0.000 |
7 |
16 |
|
E |
24 |
9 |
3720 |
◊ |
F |
x,y,z-1 |
1_554 |
29 |
8 |
3631 |
249.3 |
-2.6 |
0.366 |
1 |
0 |
0 |
0.015 |
17 |
|
B |
31 |
8 |
3671 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
3848 |
241.4 |
-2.4 |
0.410 |
2 |
0 |
0 |
0.015 |
18 |
|
D |
26 |
9 |
3706 |
◊ |
C |
x,y,z |
1_555 |
27 |
8 |
3660 |
239.8 |
-2.9 |
0.359 |
2 |
0 |
0 |
0.015 |
Average: |
243.5 |
-2.6 |
0.378 |
2 |
0 |
0 |
0.015 |
8 |
19 |
|
G |
13 |
4 |
1296 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
3671 |
113.7 |
-0.3 |
0.845 |
2 |
0 |
0 |
0.010 |
20 |
|
J |
11 |
4 |
1300 |
◊ |
F |
x,y,z-1 |
1_554 |
12 |
4 |
3631 |
110.8 |
-0.8 |
0.755 |
0 |
0 |
0 |
0.010 |
21 |
|
K |
11 |
4 |
1296 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
3660 |
108.4 |
-2.6 |
0.454 |
0 |
0 |
0 |
0.010 |
Average: |
111.0 |
-1.2 |
0.685 |
1 |
0 |
0 |
0.010 |
9 |
22 |
|
[SO4]E:201 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
3720 |
106.9 |
-14.6 |
0.897 |
4 |
0 |
0 |
0.661 |
10 |
23 |
|
G |
9 |
4 |
1296 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
3706 |
101.0 |
-2.0 |
0.508 |
0 |
0 |
0 |
0.000 |
11 |
24 |
|
D |
11 |
3 |
3706 |
◊ |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
14 |
6 |
3660 |
94.2 |
-0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
25 |
|
F |
13 |
5 |
3631 |
◊ |
E |
-y-1,x-y,z+2/3 |
2_455 |
11 |
3 |
3720 |
93.9 |
-0.1 |
0.618 |
1 |
0 |
0 |
0.000 |
26 |
|
A |
11 |
3 |
3848 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
13 |
5 |
3671 |
91.1 |
-0.2 |
0.601 |
0 |
0 |
0 |
0.000 |
Average: |
93.1 |
-0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
12 |
27 |
|
J |
9 |
3 |
1300 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
6 |
3660 |
90.7 |
-1.2 |
0.599 |
0 |
0 |
0 |
0.000 |
13 |
28 |
|
H |
11 |
4 |
1295 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
3848 |
76.2 |
-0.7 |
0.781 |
0 |
0 |
0 |
0.002 |
29 |
|
L |
10 |
4 |
1290 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
3706 |
74.7 |
-0.5 |
0.797 |
0 |
0 |
0 |
0.002 |
30 |
|
E |
11 |
4 |
3720 |
◊ |
I |
x,y,z-1 |
1_554 |
9 |
3 |
1298 |
73.1 |
-0.7 |
0.744 |
0 |
0 |
0 |
0.002 |
Average: |
74.7 |
-0.6 |
0.774 |
0 |
0 |
0 |
0.002 |
14 |
31 |
|
[ACE]I:0 |
3 |
1 |
171 |
◊ |
F |
x,y,z |
1_555 |
9 |
3 |
3631 |
59.1 |
-0.1 |
0.774 |
1 |
0 |
0 |
0.064 |
32 |
|
[ACE]H:0 |
3 |
1 |
171 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
3671 |
57.9 |
-0.1 |
0.767 |
1 |
0 |
0 |
0.064 |
33 |
|
[ACE]L:0 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
3660 |
57.5 |
-0.1 |
0.773 |
1 |
0 |
0 |
0.064 |
Average: |
58.2 |
-0.1 |
0.771 |
1 |
0 |
0 |
0.064 |
15 |
34 |
|
[ACE]K:0 |
3 |
1 |
171 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
3706 |
57.3 |
-0.2 |
0.759 |
1 |
0 |
0 |
0.077 |
16 |
35 |
|
I |
7 |
3 |
1298 |
◊ |
F |
-y-1,x-y,z-1/3 |
2_454 |
6 |
2 |
3631 |
56.3 |
0.8 |
0.907 |
1 |
0 |
0 |
0.000 |
36 |
|
C |
5 |
1 |
3660 |
◊ |
L |
-y-1,x-y-1,z-1/3 |
2_444 |
7 |
3 |
1290 |
55.0 |
0.0 |
0.814 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
5 |
1 |
3671 |
◊ |
H |
-y,x-y,z-1/3 |
2_554 |
7 |
3 |
1295 |
51.8 |
0.1 |
0.810 |
0 |
0 |
0 |
0.000 |
Average: |
54.4 |
0.3 |
0.844 |
0 |
0 |
0 |
0.000 |
17 |
38 |
|
[ACE]G:0 |
3 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
3848 |
55.2 |
-0.4 |
0.720 |
0 |
0 |
0 |
0.045 |
18 |
39 |
|
C |
7 |
2 |
3660 |
◊ |
[ACE]L:0 |
-y-1,x-y-1,z-1/3 |
2_444 |
3 |
1 |
172 |
55.1 |
0.4 |
0.827 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
6 |
2 |
3671 |
◊ |
[ACE]H:0 |
-y,x-y,z-1/3 |
2_554 |
3 |
1 |
171 |
54.3 |
-0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
41 |
|
[ACE]I:0 |
3 |
1 |
171 |
◊ |
F |
-y-1,x-y,z-1/3 |
2_454 |
5 |
2 |
3631 |
48.7 |
-0.6 |
0.706 |
0 |
0 |
0 |
0.000 |
Average: |
52.7 |
-0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
19 |
42 |
|
H |
6 |
1 |
1295 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
1296 |
54.0 |
-1.0 |
0.715 |
0 |
0 |
0 |
0.004 |
43 |
|
J |
5 |
1 |
1300 |
◊ |
I |
x,y,z-1 |
1_554 |
6 |
1 |
1298 |
47.7 |
-1.0 |
0.732 |
0 |
0 |
0 |
0.004 |
44 |
|
L |
5 |
1 |
1290 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
1296 |
41.8 |
-0.9 |
0.681 |
0 |
0 |
0 |
0.004 |
Average: |
47.9 |
-1.0 |
0.709 |
0 |
0 |
0 |
0.004 |
20 |
45 |
|
[ACE]G:0 |
3 |
1 |
171 |
cf |
G |
x,y,z |
1_555 |
6 |
2 |
1296 |
53.4 |
-0.2 |
0.906 |
1 |
0 |
0 |
0.100 |
21 |
46 |
|
[ACE]J:0 |
3 |
1 |
172 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
3720 |
52.5 |
-0.3 |
0.730 |
0 |
0 |
0 |
0.012 |
22 |
47 |
|
[ACE]J:0 |
3 |
1 |
172 |
cf |
J |
x,y,z |
1_555 |
6 |
2 |
1300 |
52.5 |
-0.1 |
0.907 |
1 |
0 |
0 |
0.100 |
23 |
48 |
|
B |
5 |
2 |
3671 |
x |
B |
-y,x-y,z-1/3 |
2_554 |
5 |
2 |
3671 |
52.0 |
1.3 |
0.839 |
0 |
0 |
0 |
0.000 |
49 |
|
C |
5 |
2 |
3660 |
x |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
7 |
3 |
3660 |
47.6 |
0.8 |
0.816 |
0 |
0 |
0 |
0.000 |
50 |
|
F |
4 |
2 |
3631 |
x |
F |
-y-1,x-y,z-1/3 |
2_454 |
5 |
2 |
3631 |
35.3 |
0.8 |
0.813 |
1 |
0 |
0 |
0.000 |
Average: |
45.0 |
1.0 |
0.823 |
0 |
0 |
0 |
0.000 |
24 |
51 |
|
[ACE]K:0 |
3 |
1 |
171 |
cf |
K |
x,y,z |
1_555 |
6 |
2 |
1296 |
51.3 |
-0.1 |
0.908 |
1 |
0 |
0 |
0.100 |
25 |
52 |
|
E |
3 |
2 |
3720 |
◊ |
J |
-y-1,x-y,z-1/3 |
2_454 |
3 |
2 |
1300 |
49.6 |
-0.5 |
0.556 |
0 |
0 |
0 |
0.000 |
53 |
|
K |
3 |
2 |
1296 |
◊ |
D |
-y-1,x-y-1,z-1/3 |
2_444 |
6 |
2 |
3706 |
26.2 |
0.3 |
0.797 |
0 |
0 |
0 |
0.000 |
54 |
|
G |
3 |
2 |
1296 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
3 |
2 |
3848 |
21.4 |
0.3 |
0.825 |
0 |
0 |
0 |
0.000 |
Average: |
32.4 |
0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
26 |
55 |
|
[ACE]I:0 |
3 |
1 |
171 |
cf |
I |
x,y,z |
1_555 |
7 |
2 |
1298 |
47.4 |
-0.2 |
0.908 |
1 |
0 |
0 |
0.100 |
56 |
|
[ACE]H:0 |
3 |
1 |
171 |
cf |
H |
x,y,z |
1_555 |
7 |
2 |
1295 |
46.3 |
-0.2 |
0.908 |
1 |
0 |
0 |
0.100 |
57 |
|
[ACE]L:0 |
3 |
1 |
172 |
cf |
L |
x,y,z |
1_555 |
7 |
2 |
1290 |
45.5 |
-0.3 |
0.908 |
1 |
0 |
0 |
0.100 |
Average: |
46.4 |
-0.2 |
0.908 |
1 |
0 |
0 |
0.100 |
27 |
58 |
|
E |
6 |
2 |
3720 |
◊ |
[ACE]J:0 |
-y-1,x-y,z-1/3 |
2_454 |
3 |
1 |
172 |
42.1 |
-0.6 |
0.727 |
0 |
0 |
0 |
0.000 |
28 |
59 |
|
[ACE]K:0 |
3 |
1 |
171 |
◊ |
D |
-y-1,x-y-1,z-1/3 |
2_444 |
7 |
2 |
3706 |
41.2 |
-0.5 |
0.783 |
0 |
0 |
0 |
0.000 |
29 |
60 |
|
[ACE]G:0 |
3 |
1 |
171 |
◊ |
A |
-y,x-y,z-1/3 |
2_554 |
7 |
2 |
3848 |
39.6 |
-0.5 |
0.729 |
0 |
0 |
0 |
0.000 |
30 |
61 |
|
[SO4]E:201 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
3848 |
31.5 |
-3.7 |
0.737 |
0 |
0 |
0 |
0.009 |
31 |
62 |
|
I |
3 |
2 |
1298 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
3660 |
25.2 |
-0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
32 |
63 |
|
D |
6 |
1 |
3706 |
x |
D |
-y-1,x-y-1,z-1/3 |
2_444 |
2 |
1 |
3706 |
24.9 |
-0.5 |
0.439 |
0 |
0 |
0 |
0.000 |
33 |
64 |
|
I |
5 |
2 |
1298 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
3720 |
20.9 |
-0.3 |
0.697 |
0 |
0 |
0 |
0.000 |
65 |
|
A |
2 |
2 |
3848 |
◊ |
H |
x,y,z-1 |
1_554 |
4 |
2 |
1295 |
12.7 |
0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
66 |
|
D |
1 |
1 |
3706 |
◊ |
L |
x,y,z-1 |
1_554 |
2 |
1 |
1290 |
8.3 |
0.0 |
0.758 |
0 |
0 |
0 |
0.000 |
Average: |
14.0 |
-0.1 |
0.739 |
0 |
0 |
0 |
0.000 |
34 |
67 |
|
I |
2 |
1 |
1298 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
1295 |
19.6 |
-0.6 |
0.541 |
0 |
0 |
0 |
0.000 |
35 |
68 |
|
H |
2 |
1 |
1295 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
3631 |
16.4 |
-0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
36 |
69 |
|
K |
4 |
2 |
1296 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
3631 |
16.0 |
-0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
37 |
70 |
|
I |
2 |
1 |
1298 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
3671 |
10.9 |
0.0 |
0.740 |
0 |
0 |
0 |
0.000 |
38 |
71 |
|
K |
2 |
1 |
1296 |
◊ |
C |
-y-1,x-y-1,z-1/3 |
2_444 |
2 |
2 |
3660 |
6.1 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
72 |
|
F |
1 |
1 |
3631 |
◊ |
J |
-y-1,x-y,z+2/3 |
2_455 |
1 |
1 |
1300 |
4.5 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
73 |
|
G |
1 |
1 |
1296 |
◊ |
B |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
3671 |
4.2 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
Average: |
4.9 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
39 |
74 |
|
H |
2 |
1 |
1295 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
3720 |
4.7 |
-0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
40 |
75 |
|
[ACE]I:0 |
1 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
3720 |
2.4 |
-0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
76 |
|
A |
1 |
1 |
3848 |
◊ |
[ACE]H:0 |
x,y,z-1 |
1_554 |
1 |
1 |
171 |
0.4 |
-0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
Average: |
1.4 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
41 |
77 |
|
D |
1 |
1 |
3706 |
◊ |
[ACE]L:0 |
x,y,z-1 |
1_554 |
1 |
1 |
172 |
1.6 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
|