| ## |
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 |
|
B |
191 |
59 |
27881 |
◊ |
A |
x,y,z |
1_555 |
184 |
58 |
28048 |
1707.1 |
-3.7 |
0.758 |
14 |
10 |
0 |
0.078 |
2 |
|
C |
173 |
55 |
27876 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
173 |
56 |
27876 |
1541.8 |
-4.7 |
0.731 |
14 |
10 |
0 |
0.078 |
| Average: |
1624.5 |
-4.2 |
0.744 |
14 |
10 |
0 |
0.078 |
| 2 |
3 |
|
B |
38 |
10 |
27881 |
◊ |
A |
-x+1,y,-z+2 |
2_657 |
39 |
11 |
28048 |
429.9 |
-2.4 |
0.411 |
7 |
3 |
0 |
0.000 |
4 |
|
A |
36 |
9 |
28048 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
37 |
10 |
27876 |
411.5 |
-1.0 |
0.571 |
6 |
3 |
0 |
0.000 |
5 |
|
B |
34 |
10 |
27881 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
35 |
9 |
27876 |
388.8 |
-2.0 |
0.382 |
5 |
2 |
0 |
0.000 |
| Average: |
410.1 |
-1.8 |
0.454 |
6 |
3 |
0 |
0.000 |
| 3 |
6 |
|
C |
39 |
16 |
27876 |
◊ |
A |
x,y,z |
1_555 |
35 |
9 |
28048 |
347.8 |
3.1 |
0.877 |
4 |
10 |
0 |
0.000 |
7 |
|
C |
33 |
9 |
27876 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
37 |
16 |
27881 |
337.8 |
3.0 |
0.831 |
3 |
8 |
0 |
0.000 |
8 |
|
B |
33 |
9 |
27881 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
37 |
16 |
28048 |
336.3 |
3.0 |
0.849 |
3 |
8 |
0 |
0.000 |
| Average: |
340.6 |
3.0 |
0.852 |
3 |
9 |
0 |
0.000 |
| 4 |
9 |
|
[BFB]A:701 |
20 |
1 |
514 |
cf |
A |
x,y,z |
1_555 |
41 |
13 |
28048 |
273.9 |
0.3 |
0.629 |
3 |
0 |
0 |
0.006 |
| 5 |
10 |
|
[BFB]B:701 |
20 |
1 |
517 |
cf |
B |
x,y,z |
1_555 |
42 |
13 |
27881 |
266.4 |
0.8 |
0.641 |
3 |
0 |
0 |
0.013 |
11 |
|
[BFB]C:701 |
20 |
1 |
517 |
cf |
C |
x,y,z |
1_555 |
42 |
13 |
27876 |
257.8 |
0.8 |
0.662 |
4 |
0 |
0 |
0.013 |
| Average: |
262.1 |
0.8 |
0.652 |
4 |
0 |
0 |
0.013 |
| 6 |
12 |
|
B |
19 |
7 |
27881 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
22 |
9 |
27876 |
166.8 |
-0.3 |
0.636 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
20 |
9 |
28048 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
20 |
8 |
27881 |
162.2 |
1.2 |
0.810 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
8 |
6 |
28048 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
7 |
27876 |
77.9 |
-0.8 |
0.420 |
0 |
0 |
0 |
0.000 |
| Average: |
135.6 |
0.1 |
0.622 |
1 |
0 |
0 |
0.000 |
| 7 |
15 |
|
[EDO]C:712 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
27876 |
103.5 |
2.7 |
0.482 |
4 |
0 |
0 |
0.000 |
| 8 |
16 |
|
[EDO]C:711 |
4 |
1 |
185 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
11 |
4 |
27881 |
74.6 |
1.5 |
0.225 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
[EDO]A:711 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
28048 |
74.4 |
1.6 |
0.229 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
[GOL]A:712 |
4 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
27876 |
74.4 |
-0.7 |
0.435 |
1 |
0 |
0 |
0.015 |
| 11 |
19 |
|
[CL]B:707 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
27881 |
69.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.111 |
20 |
|
[CL]A:710 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
28048 |
69.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.111 |
| Average: |
69.9 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.111 |
| 12 |
21 |
|
[CL]C:708 |
1 |
1 |
125 |
f |
C |
-x+1,y,-z+1 |
2_656 |
16 |
7 |
27876 |
67.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.098 |
22 |
|
[CL]A:709 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
28048 |
65.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
66.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.098 |
| 13 |
23 |
|
[GOL]A:712 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
28048 |
67.0 |
-0.3 |
0.540 |
1 |
0 |
0 |
0.000 |
| 14 |
24 |
|
[CL]A:708 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
28048 |
62.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.046 |
| 15 |
25 |
|
[CL]C:709 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
27876 |
61.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.099 |
| 16 |
26 |
|
[CL]A:707 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
28048 |
58.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.092 |
27 |
|
[CL]C:707 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
27876 |
57.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.092 |
28 |
|
[CL]B:709 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
27881 |
56.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.092 |
| Average: |
57.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.092 |
| 17 |
29 |
|
[GOL]A:712 |
4 |
1 |
216 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
7 |
4 |
27881 |
54.6 |
-0.6 |
0.393 |
0 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[CL]C:710 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
27876 |
52.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.086 |
| 19 |
31 |
|
[CA]A:706 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
28048 |
50.0 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.155 |
32 |
|
[CA]B:706 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
27881 |
49.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.155 |
33 |
|
[CA]C:706 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
27876 |
49.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.155 |
| Average: |
49.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.155 |
| 20 |
34 |
|
[CL]B:710 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
27881 |
48.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.035 |
| 21 |
35 |
|
[CL]B:708 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
27881 |
46.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.033 |
| 22 |
36 |
|
[CA]C:705 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
27876 |
43.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.157 |
37 |
|
[CA]B:705 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
27881 |
43.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.157 |
38 |
|
[CA]A:705 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
28048 |
43.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.157 |
| Average: |
43.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.157 |
| 23 |
39 |
|
[CA]B:702 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
27881 |
42.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.073 |
| 24 |
40 |
|
[CA]C:704 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
27876 |
41.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.143 |
41 |
|
[CA]B:704 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
5 |
27881 |
41.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.143 |
42 |
|
[CA]A:704 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
28048 |
40.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.143 |
| Average: |
41.4 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.143 |
| 25 |
43 |
|
A |
11 |
7 |
28048 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
11 |
7 |
28048 |
37.7 |
0.3 |
0.710 |
0 |
0 |
0 |
0.000 |
44 |
|
C |
7 |
3 |
27876 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
27881 |
22.4 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
| Average: |
30.1 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
| 26 |
45 |
|
[CL]A:709 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
27881 |
36.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.043 |
46 |
|
[CL]C:708 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
27876 |
36.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.043 |
| Average: |
36.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.043 |
| 27 |
47 |
|
[EDO]C:711 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
5 |
1 |
27876 |
32.3 |
0.7 |
0.681 |
0 |
0 |
0 |
0.000 |
| 28 |
48 |
|
[EDO]A:711 |
3 |
1 |
185 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
5 |
1 |
27881 |
30.0 |
0.8 |
0.672 |
0 |
0 |
0 |
0.000 |
| 29 |
49 |
|
[CL]B:708 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
28048 |
18.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
| 30 |
50 |
|
[BFB]A:701 |
4 |
1 |
514 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
27881 |
16.1 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
| 31 |
51 |
|
[GOL]A:712 |
3 |
1 |
216 |
f |
[EDO]A:711 |
x,y,z |
1_555 |
1 |
1 |
185 |
14.5 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
| 32 |
52 |
|
[CL]C:707 |
1 |
1 |
125 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
27876 |
13.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.019 |
53 |
|
[CL]A:707 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
27881 |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
54 |
|
[CL]B:709 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
28048 |
8.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
10.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.019 |
| 33 |
55 |
|
[EDO]C:711 |
2 |
1 |
185 |
f |
[EDO]A:711 |
x,y,z |
1_555 |
2 |
1 |
185 |
12.8 |
0.6 |
1.000 |
0 |
0 |
0 |
0.000 |
| 34 |
56 |
|
[GOL]A:712 |
3 |
1 |
216 |
f |
[EDO]C:711 |
x,y,z |
1_555 |
1 |
1 |
185 |
11.8 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
| 35 |
57 |
|
[BFB]B:701 |
2 |
1 |
517 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
2 |
27876 |
11.8 |
-0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
58 |
|
A |
1 |
1 |
28048 |
◊ |
[BFB]C:701 |
x,y-1,z |
1_545 |
1 |
1 |
517 |
3.7 |
-0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
| Average: |
7.8 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| 36 |
59 |
|
A |
2 |
2 |
28048 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
27876 |
10.1 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
60 |
|
B |
2 |
2 |
27881 |
◊ |
B |
-x+1,y,-z+2 |
2_657 |
2 |
2 |
27881 |
8.1 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
9.1 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
| 37 |
61 |
|
[CA]A:704 |
1 |
1 |
85 |
f |
[CA]A:703 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.017 |
| 38 |
62 |
|
[CA]C:704 |
1 |
1 |
85 |
f |
[CA]C:703 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.033 |
| 39 |
63 |
|
[CA]B:704 |
1 |
1 |
85 |
f |
[CA]B:703 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.015 |
| 40 |
64 |
|
[CL]B:710 |
1 |
1 |
125 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
27876 |
7.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
|