| ## |
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 |
|
D |
140 |
32 |
8187 |
◊ |
C |
x,y,z |
1_555 |
134 |
32 |
8975 |
1369.1 |
-10.8 |
0.601 |
29 |
6 |
0 |
0.506 |
2 |
|
B |
136 |
33 |
8840 |
◊ |
A |
x,y,z |
1_555 |
135 |
32 |
8615 |
1367.1 |
-11.3 |
0.539 |
27 |
6 |
0 |
0.506 |
| Average: |
1368.1 |
-11.1 |
0.570 |
28 |
6 |
0 |
0.506 |
| 2 |
3 |
|
C |
88 |
22 |
8975 |
◊ |
A |
x,y,z |
1_555 |
92 |
26 |
8615 |
907.1 |
-7.6 |
0.513 |
17 |
0 |
0 |
0.396 |
4 |
|
D |
84 |
24 |
8187 |
◊ |
B |
x,y,z |
1_555 |
85 |
23 |
8840 |
848.6 |
-9.4 |
0.411 |
13 |
0 |
0 |
0.396 |
| Average: |
877.8 |
-8.5 |
0.462 |
15 |
0 |
0 |
0.396 |
| 3 |
5 |
|
A |
79 |
25 |
8615 |
◊ |
C |
-y+3/2,x+1/2,z-1/4 |
3_654 |
74 |
19 |
8975 |
679.8 |
-7.1 |
0.481 |
7 |
0 |
0 |
0.029 |
6 |
|
B |
62 |
16 |
8840 |
◊ |
D |
-y+3/2,x+3/2,z-1/4 |
3_664 |
64 |
23 |
8187 |
575.6 |
-6.6 |
0.497 |
7 |
0 |
0 |
0.029 |
| Average: |
627.7 |
-6.8 |
0.489 |
7 |
0 |
0 |
0.029 |
| 4 |
7 |
|
C |
55 |
14 |
8975 |
◊ |
B |
x,y,z |
1_555 |
53 |
14 |
8840 |
484.8 |
-8.3 |
0.200 |
6 |
0 |
0 |
0.150 |
8 |
|
D |
55 |
13 |
8187 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
8615 |
483.7 |
-8.8 |
0.256 |
6 |
0 |
0 |
0.150 |
| Average: |
484.3 |
-8.5 |
0.228 |
6 |
0 |
0 |
0.150 |
| 5 |
9 |
|
[PCP]C:302 |
19 |
1 |
483 |
f |
C |
x,y,z |
1_555 |
43 |
19 |
8975 |
270.8 |
-8.2 |
0.764 |
15 |
0 |
0 |
0.389 |
10 |
|
[PCP]B:301 |
20 |
1 |
481 |
f |
B |
x,y,z |
1_555 |
42 |
18 |
8840 |
268.9 |
-8.2 |
0.784 |
15 |
0 |
0 |
0.389 |
| Average: |
269.9 |
-8.2 |
0.774 |
15 |
0 |
0 |
0.389 |
| 6 |
11 |
|
[GUN]C:303 |
11 |
1 |
286 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
8975 |
161.4 |
2.5 |
0.345 |
4 |
0 |
0 |
0.000 |
12 |
|
[GUN]B:304 |
11 |
1 |
283 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
8840 |
159.3 |
2.4 |
0.365 |
4 |
0 |
0 |
0.000 |
| Average: |
160.3 |
2.5 |
0.355 |
4 |
0 |
0 |
0.000 |
| 7 |
13 |
|
B |
14 |
4 |
8840 |
◊ |
A |
x-1/2,-y+5/2,-z+1/4 |
6_475 |
13 |
4 |
8615 |
107.1 |
-1.6 |
0.447 |
0 |
0 |
0 |
0.000 |
| 8 |
14 |
|
A |
11 |
3 |
8615 |
◊ |
A |
y-1,x+1,-z |
7_465 |
11 |
3 |
8615 |
97.7 |
0.5 |
0.782 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
C |
12 |
3 |
8975 |
◊ |
D |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
9 |
4 |
8187 |
92.3 |
-1.6 |
0.387 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
[BO3]A:306 |
4 |
1 |
166 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
8615 |
81.1 |
0.7 |
0.445 |
2 |
0 |
0 |
0.100 |
| 11 |
17 |
|
[BO3]D:305 |
4 |
1 |
168 |
◊ |
D |
x,y,z |
1_555 |
14 |
8 |
8187 |
80.3 |
0.8 |
0.463 |
2 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[GUN]C:303 |
7 |
1 |
286 |
f |
[PCP]C:302 |
x,y,z |
1_555 |
10 |
1 |
483 |
56.3 |
1.2 |
0.211 |
1 |
0 |
0 |
0.000 |
19 |
|
[GUN]B:304 |
4 |
1 |
283 |
f |
[PCP]B:301 |
x,y,z |
1_555 |
9 |
1 |
481 |
51.9 |
1.2 |
0.581 |
0 |
0 |
0 |
0.000 |
| Average: |
54.1 |
1.2 |
0.396 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
B |
9 |
2 |
8840 |
f |
[BO3]D:305 |
-y+3/2,x+3/2,z-1/4 |
3_664 |
4 |
1 |
168 |
53.8 |
-0.0 |
0.395 |
0 |
0 |
0 |
0.001 |
| 14 |
21 |
|
[BO3]A:306 |
4 |
1 |
166 |
◊ |
C |
-y+3/2,x+1/2,z-1/4 |
3_654 |
8 |
2 |
8975 |
51.8 |
-0.1 |
0.376 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
B |
3 |
1 |
8840 |
◊ |
C |
-y+3/2,x+1/2,z-1/4 |
3_654 |
3 |
1 |
8975 |
39.8 |
0.9 |
0.893 |
1 |
3 |
0 |
0.000 |
23 |
|
B |
3 |
1 |
8840 |
◊ |
C |
-y+3/2,x+3/2,z-1/4 |
3_664 |
4 |
1 |
8975 |
32.0 |
1.0 |
0.891 |
1 |
2 |
0 |
0.000 |
| Average: |
35.9 |
1.0 |
0.892 |
1 |
3 |
0 |
0.000 |
| 16 |
24 |
|
[PCP]B:301 |
7 |
1 |
481 |
f |
[MG]B:308 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.162 |
25 |
|
[PCP]C:302 |
6 |
1 |
483 |
f |
[MG]C:307 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.162 |
| Average: |
39.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.162 |
| 17 |
26 |
|
A |
3 |
1 |
8615 |
◊ |
B |
-y+3/2,x+1/2,z-1/4 |
3_654 |
6 |
1 |
8840 |
35.4 |
-1.0 |
0.313 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[MG]B:308 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
8840 |
33.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.101 |
28 |
|
[MG]C:307 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
8975 |
33.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.101 |
| Average: |
33.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.101 |
| 19 |
29 |
|
B |
4 |
2 |
8840 |
◊ |
C |
x-1/2,-y+5/2,-z+1/4 |
6_475 |
5 |
2 |
8975 |
29.1 |
0.5 |
0.723 |
0 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[PCP]B:301 |
5 |
1 |
481 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
8615 |
19.3 |
-0.7 |
0.747 |
0 |
0 |
0 |
0.016 |
31 |
|
[PCP]C:302 |
4 |
1 |
483 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8187 |
15.3 |
-0.8 |
0.702 |
0 |
0 |
0 |
0.016 |
| Average: |
17.3 |
-0.7 |
0.724 |
0 |
0 |
0 |
0.016 |
| 21 |
32 |
|
[PCP]B:301 |
3 |
1 |
481 |
◊ |
D |
-y+3/2,x+3/2,z-1/4 |
3_664 |
2 |
1 |
8187 |
11.6 |
-0.7 |
0.530 |
0 |
0 |
0 |
0.002 |
33 |
|
A |
2 |
1 |
8615 |
◊ |
[PCP]C:302 |
-y+3/2,x+1/2,z-1/4 |
3_654 |
3 |
1 |
483 |
11.2 |
-0.8 |
0.537 |
0 |
0 |
0 |
0.002 |
| Average: |
11.4 |
-0.8 |
0.533 |
0 |
0 |
0 |
0.002 |
| 22 |
34 |
|
B |
1 |
1 |
8840 |
◊ |
A |
y-1,x+1,-z |
7_465 |
1 |
1 |
8615 |
2.3 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[BO3]D:305 |
1 |
1 |
168 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8975 |
1.0 |
-0.0 |
0.366 |
0 |
0 |
0 |
0.000 |
|