## |
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 |
|
C |
125 |
36 |
9871 |
◊ |
C |
-x+3/2,z+1/2,y-1/2 |
42_654 |
122 |
37 |
9871 |
1298.0 |
-9.5 |
0.412 |
20 |
8 |
0 |
1.000 |
2 |
|
B |
123 |
37 |
9938 |
◊ |
A |
x,y,z |
1_555 |
124 |
37 |
9712 |
1296.4 |
-8.7 |
0.362 |
23 |
10 |
0 |
1.000 |
Average: |
1297.2 |
-9.1 |
0.387 |
22 |
9 |
0 |
1.000 |
2 |
3 |
|
C |
61 |
19 |
9871 |
◊ |
B |
-x+3/2,z+1/2,y-1/2 |
42_654 |
62 |
18 |
9938 |
532.1 |
-8.7 |
0.151 |
0 |
1 |
0 |
0.000 |
3 |
4 |
|
A |
45 |
14 |
9712 |
x |
A |
z+1,y,-x+1 |
21_656 |
53 |
15 |
9712 |
443.7 |
-4.5 |
0.224 |
7 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
28 |
12 |
9871 |
◊ |
C |
-y+3/2,-x+3/2,-z+1/2 |
38_665 |
28 |
12 |
9871 |
284.5 |
0.8 |
0.794 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
30 |
7 |
9871 |
◊ |
A |
-x+3/2,z+1/2,y-1/2 |
42_654 |
27 |
7 |
9712 |
263.8 |
0.7 |
0.768 |
3 |
1 |
0 |
0.000 |
7 |
|
C |
24 |
7 |
9871 |
◊ |
B |
x,y,z |
1_555 |
28 |
6 |
9938 |
259.0 |
0.2 |
0.716 |
5 |
1 |
0 |
0.000 |
Average: |
261.4 |
0.4 |
0.742 |
4 |
1 |
0 |
0.000 |
6 |
8 |
|
[GUN]C:210 |
11 |
1 |
285 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
9871 |
218.4 |
1.7 |
0.279 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
[GUN]A:210 |
11 |
1 |
286 |
f |
A |
x,y,z |
1_555 |
31 |
10 |
9712 |
193.2 |
4.0 |
0.528 |
4 |
0 |
0 |
0.000 |
8 |
10 |
|
[GUN]B:210 |
11 |
1 |
286 |
◊ |
B |
x,y,z |
1_555 |
26 |
10 |
9938 |
188.1 |
2.2 |
0.311 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
C |
14 |
6 |
9871 |
◊ |
A |
-y+3/2,-x+3/2,-z+1/2 |
38_665 |
19 |
7 |
9712 |
130.5 |
-2.8 |
0.164 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
B |
16 |
6 |
9938 |
x |
B |
z+1,y,-x+1 |
21_656 |
13 |
4 |
9938 |
119.0 |
1.4 |
0.785 |
3 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
9712 |
84.2 |
2.1 |
0.269 |
3 |
0 |
0 |
0.000 |
14 |
|
[EDO]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
9871 |
82.0 |
2.0 |
0.272 |
3 |
0 |
0 |
0.000 |
Average: |
83.1 |
2.0 |
0.271 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]B:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
9712 |
84.0 |
2.5 |
0.463 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]A:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
9938 |
82.3 |
2.6 |
0.467 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
9712 |
73.7 |
0.9 |
0.612 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
B |
11 |
4 |
9938 |
◊ |
C |
z+1/2,-x+3/2,-y+1/2 |
30_565 |
7 |
3 |
9871 |
72.8 |
0.9 |
0.804 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]B:305 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
9938 |
71.3 |
0.8 |
0.621 |
2 |
0 |
0 |
0.006 |
17 |
20 |
|
[EDO]B:301 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9938 |
69.4 |
2.5 |
0.318 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]B:302 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
9938 |
66.8 |
1.6 |
0.528 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[EDO]B:302 |
4 |
1 |
185 |
f |
C |
-x+3/2,z+1/2,y-1/2 |
42_654 |
16 |
7 |
9871 |
66.0 |
2.3 |
0.324 |
3 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]B:301 |
3 |
1 |
186 |
◊ |
C |
-x+3/2,z+1/2,y-1/2 |
42_654 |
14 |
4 |
9871 |
64.8 |
1.8 |
0.587 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[EDO]C:303 |
4 |
1 |
184 |
◊ |
C |
-x+3/2,z+1/2,y-1/2 |
42_654 |
10 |
3 |
9871 |
62.7 |
2.1 |
0.270 |
0 |
0 |
0 |
0.000 |
25 |
|
[EDO]A:306 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
9938 |
61.7 |
2.1 |
0.269 |
0 |
0 |
0 |
0.000 |
Average: |
62.2 |
2.1 |
0.269 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[GUN]B:210 |
4 |
1 |
286 |
f |
C |
-x+3/2,z+1/2,y-1/2 |
42_654 |
9 |
4 |
9871 |
57.0 |
1.2 |
0.556 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]B:302 |
3 |
1 |
185 |
◊ |
[EDO]B:301 |
x,y,z |
1_555 |
3 |
1 |
186 |
25.8 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
C |
3 |
1 |
9871 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9712 |
14.1 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
A |
1 |
1 |
9712 |
◊ |
B |
z+1,y,-x+1 |
21_656 |
1 |
1 |
9938 |
9.0 |
0.4 |
0.876 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
B |
2 |
2 |
9938 |
◊ |
B |
x,-y+1,-z |
4_565 |
2 |
2 |
9938 |
9.0 |
0.5 |
0.836 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[GUN]C:210 |
1 |
1 |
285 |
f |
B |
-x+3/2,z+1/2,y-1/2 |
42_654 |
3 |
2 |
9938 |
6.3 |
0.1 |
0.427 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
B |
1 |
1 |
9938 |
◊ |
B |
-z+1,-y+1,-x+1 |
24_666 |
1 |
1 |
9938 |
2.3 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
|