| ## |
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 |
160 |
39 |
12542 |
◊ |
A |
x,y,z |
1_555 |
150 |
39 |
13875 |
1470.2 |
-12.0 |
0.343 |
21 |
5 |
0 |
1.000 |
2 |
|
D |
157 |
40 |
12295 |
◊ |
C |
x,y,z |
1_555 |
152 |
39 |
13896 |
1459.9 |
-12.1 |
0.315 |
25 |
7 |
0 |
1.000 |
| Average: |
1465.1 |
-12.1 |
0.329 |
23 |
6 |
0 |
1.000 |
| 2 |
3 |
|
D |
49 |
13 |
12295 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
13875 |
400.3 |
-3.6 |
0.376 |
3 |
1 |
0 |
0.000 |
4 |
|
B |
47 |
13 |
12542 |
◊ |
C |
x,y,z |
1_555 |
39 |
11 |
13896 |
399.1 |
-2.8 |
0.465 |
3 |
1 |
0 |
0.000 |
| Average: |
399.7 |
-3.2 |
0.421 |
3 |
1 |
0 |
0.000 |
| 3 |
5 |
|
B |
38 |
9 |
12542 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
39 |
11 |
13896 |
360.4 |
-0.1 |
0.708 |
5 |
6 |
0 |
0.000 |
6 |
|
A |
40 |
12 |
13875 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
40 |
10 |
12295 |
351.6 |
-1.6 |
0.487 |
4 |
3 |
0 |
0.000 |
| Average: |
356.0 |
-0.8 |
0.597 |
5 |
5 |
0 |
0.000 |
| 4 |
7 |
|
[R7B]C:301 |
16 |
1 |
384 |
f |
C |
x,y,z |
1_555 |
41 |
17 |
13896 |
276.3 |
5.1 |
0.337 |
1 |
0 |
0 |
0.000 |
8 |
|
[R7B]A:301 |
16 |
1 |
383 |
f |
A |
x,y,z |
1_555 |
40 |
17 |
13875 |
275.3 |
5.2 |
0.335 |
1 |
0 |
0 |
0.000 |
| Average: |
275.8 |
5.1 |
0.336 |
1 |
0 |
0 |
0.000 |
| 5 |
9 |
|
B |
23 |
8 |
12542 |
◊ |
A |
x,y,z-1 |
1_554 |
18 |
8 |
13875 |
201.8 |
-1.8 |
0.404 |
1 |
0 |
0 |
0.000 |
10 |
|
C |
21 |
8 |
13896 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
9 |
12295 |
194.2 |
-2.2 |
0.359 |
1 |
0 |
0 |
0.000 |
| Average: |
198.0 |
-2.0 |
0.381 |
1 |
0 |
0 |
0.000 |
| 6 |
11 |
|
B |
16 |
5 |
12542 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
15 |
4 |
13896 |
161.8 |
-1.4 |
0.270 |
1 |
2 |
0 |
0.000 |
| 7 |
12 |
|
[EDO]D:504 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
12295 |
113.5 |
4.3 |
0.584 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[EDO]D:502 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
19 |
11 |
12295 |
109.2 |
4.9 |
0.577 |
3 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[EDO]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
12542 |
102.9 |
3.5 |
0.558 |
4 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[EDO]D:501 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
12295 |
102.2 |
3.4 |
0.556 |
4 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[EDO]A:302 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
13875 |
101.0 |
2.4 |
0.411 |
1 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[EDO]C:302 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
13896 |
96.1 |
2.8 |
0.296 |
2 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[EDO]C:303 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
13896 |
95.2 |
2.5 |
0.475 |
3 |
0 |
0 |
0.000 |
| 14 |
19 |
|
[EDO]B:502 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
12542 |
95.1 |
2.4 |
0.398 |
0 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
12542 |
92.6 |
2.8 |
0.307 |
2 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[EDO]D:503 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
12295 |
91.5 |
2.7 |
0.297 |
1 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[EDO]A:303 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
8 |
13875 |
89.9 |
2.6 |
0.294 |
2 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[NO3]D:506 |
4 |
1 |
165 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
12295 |
88.2 |
0.6 |
0.407 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[EDO]B:504 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
12542 |
87.9 |
3.0 |
0.499 |
1 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[NA]D:505 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
12295 |
65.5 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.692 |
26 |
|
[NA]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
12542 |
65.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.692 |
| Average: |
65.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.692 |
| 21 |
27 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
12295 |
63.4 |
1.9 |
0.809 |
1 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[EDO]C:302 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12542 |
59.1 |
1.6 |
0.850 |
0 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[EDO]B:504 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
13896 |
35.9 |
0.7 |
0.448 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[EDO]A:302 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12542 |
9.9 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
|