| ## |
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 |
190 |
54 |
9116 |
◊ |
B |
x,y,z |
1_555 |
205 |
55 |
9060 |
1877.6 |
-19.1 |
0.205 |
29 |
8 |
0 |
0.848 |
2 |
|
C |
201 |
55 |
9116 |
◊ |
A |
x,y,z |
1_555 |
196 |
54 |
9048 |
1859.8 |
-19.7 |
0.229 |
24 |
5 |
0 |
0.848 |
3 |
|
B |
187 |
52 |
9060 |
◊ |
A |
x,y,z |
1_555 |
202 |
55 |
9048 |
1833.3 |
-21.5 |
0.169 |
26 |
5 |
0 |
0.848 |
| Average: |
1856.9 |
-20.1 |
0.201 |
26 |
6 |
0 |
0.848 |
| 2 |
4 |
|
A |
18 |
8 |
9048 |
◊ |
A |
y,x,-z |
7_555 |
17 |
8 |
9048 |
220.3 |
3.7 |
0.946 |
6 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
18 |
6 |
9060 |
x |
B |
-y-1/2,x-1/2,z-1/4 |
3_444 |
27 |
8 |
9060 |
213.7 |
-1.0 |
0.501 |
2 |
0 |
0 |
0.000 |
6 |
|
A |
21 |
7 |
9048 |
x |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
17 |
5 |
9116 |
173.3 |
-1.5 |
0.487 |
1 |
0 |
0 |
0.000 |
| Average: |
193.5 |
-1.3 |
0.494 |
2 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[UMP]B:200 |
15 |
1 |
458 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
9060 |
188.6 |
2.2 |
0.749 |
4 |
0 |
0 |
0.000 |
8 |
|
[UMP]C:200 |
15 |
1 |
459 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
9116 |
180.3 |
2.0 |
0.752 |
4 |
0 |
0 |
0.000 |
9 |
|
[UMP]A:200 |
15 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
9048 |
176.7 |
2.0 |
0.785 |
3 |
0 |
0 |
0.000 |
| Average: |
181.9 |
2.1 |
0.762 |
4 |
0 |
0 |
0.000 |
| 5 |
10 |
|
B |
20 |
5 |
9060 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
20 |
5 |
9060 |
178.5 |
0.1 |
0.677 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
A |
15 |
8 |
9048 |
◊ |
B |
-y-1/2,x-1/2,z-1/4 |
3_444 |
17 |
8 |
9060 |
173.2 |
-4.8 |
0.078 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
A |
15 |
5 |
9048 |
x |
A |
x,y,z-1 |
1_554 |
16 |
4 |
9048 |
148.1 |
-1.5 |
0.464 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[UMP]B:200 |
19 |
1 |
458 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
9116 |
147.8 |
-2.3 |
0.518 |
6 |
0 |
0 |
0.120 |
14 |
|
[UMP]A:200 |
18 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
9060 |
134.2 |
-2.3 |
0.507 |
5 |
0 |
0 |
0.120 |
15 |
|
[UMP]C:200 |
18 |
1 |
459 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
9048 |
129.8 |
-2.2 |
0.515 |
5 |
0 |
0 |
0.120 |
| Average: |
137.3 |
-2.2 |
0.513 |
5 |
0 |
0 |
0.120 |
| 9 |
16 |
|
C |
13 |
5 |
9116 |
◊ |
C |
-y,-x,-z+1/2 |
8_555 |
14 |
5 |
9116 |
142.5 |
-1.3 |
0.459 |
2 |
0 |
0 |
0.000 |
| 10 |
17 |
|
C |
12 |
5 |
9116 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
9 |
2 |
9060 |
134.2 |
-0.4 |
0.467 |
4 |
0 |
0 |
0.000 |
| 11 |
18 |
|
A |
9 |
3 |
9048 |
◊ |
C |
x,y,z-1 |
1_554 |
14 |
5 |
9116 |
113.3 |
-0.9 |
0.501 |
0 |
0 |
0 |
0.000 |
| 12 |
19 |
|
B |
15 |
5 |
9060 |
◊ |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
13 |
5 |
9116 |
110.2 |
1.0 |
0.776 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[PEG]C:148 |
7 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
9116 |
103.8 |
2.6 |
0.403 |
3 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[PEG]C:149 |
6 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
9116 |
89.8 |
2.6 |
0.352 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[EDO]B:148 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
9060 |
87.3 |
2.8 |
0.509 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[UMP]A:200 |
10 |
1 |
459 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
9116 |
57.8 |
-0.6 |
0.587 |
2 |
0 |
0 |
0.040 |
24 |
|
[UMP]B:200 |
9 |
1 |
458 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9048 |
56.0 |
-1.0 |
0.514 |
2 |
0 |
0 |
0.040 |
25 |
|
[UMP]C:200 |
10 |
1 |
459 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
9060 |
53.1 |
-0.7 |
0.567 |
1 |
0 |
0 |
0.040 |
| Average: |
55.6 |
-0.8 |
0.556 |
2 |
0 |
0 |
0.040 |
| 17 |
26 |
|
A |
7 |
3 |
9048 |
f |
[PEG]C:149 |
x,y,z-1 |
1_554 |
2 |
1 |
261 |
48.9 |
0.8 |
0.412 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[PEG]C:148 |
4 |
1 |
260 |
◊ |
[UMP]A:200 |
x,y,z |
1_555 |
8 |
1 |
459 |
46.3 |
0.3 |
0.316 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[PEG]C:148 |
5 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
9048 |
45.1 |
0.7 |
0.297 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[NA]A:148 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
9048 |
42.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.049 |
| 21 |
30 |
|
[EDO]B:149 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
9060 |
41.7 |
1.5 |
0.901 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
B |
3 |
1 |
9060 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
8 |
2 |
9048 |
39.0 |
-1.0 |
0.280 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[PEG]C:149 |
5 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9048 |
38.7 |
1.4 |
0.285 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
[EDO]B:149 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
9116 |
37.4 |
1.2 |
0.895 |
1 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[EDO]B:149 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
9048 |
33.6 |
1.3 |
0.622 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
[PEG]C:148 |
4 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9060 |
30.6 |
1.8 |
0.427 |
1 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[EDO]B:148 |
3 |
1 |
185 |
f |
[UMP]C:200 |
x,y,z |
1_555 |
4 |
1 |
459 |
27.1 |
-0.8 |
0.548 |
1 |
0 |
0 |
0.011 |
| 28 |
37 |
|
[NA]A:148 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9060 |
26.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.026 |
| 29 |
38 |
|
[EDO]B:148 |
2 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9048 |
23.0 |
1.2 |
0.985 |
1 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[EDO]B:148 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9116 |
20.0 |
0.8 |
0.850 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
[NA]A:148 |
1 |
1 |
125 |
f |
[UMP]C:200 |
x,y,z |
1_555 |
3 |
1 |
459 |
14.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 32 |
41 |
|
B |
1 |
1 |
9060 |
◊ |
B |
y,x,-z+1 |
7_556 |
1 |
1 |
9060 |
10.4 |
-0.3 |
0.250 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
A |
1 |
1 |
9048 |
x |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
1 |
1 |
9048 |
8.0 |
-0.3 |
0.298 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
1 |
1 |
9116 |
x |
B |
-y-1/2,x-1/2,z-1/4 |
3_444 |
1 |
1 |
9060 |
3.5 |
0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
5.8 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
C |
3 |
2 |
9116 |
◊ |
C |
y,x,-z+1 |
7_556 |
3 |
2 |
9116 |
4.9 |
-0.2 |
0.544 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
B |
2 |
1 |
9060 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
9048 |
4.5 |
-0.1 |
0.467 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
C |
1 |
1 |
9116 |
x |
C |
-y-1/2,x-1/2,z-1/4 |
3_444 |
1 |
1 |
9116 |
3.4 |
-0.1 |
0.406 |
0 |
0 |
0 |
0.000 |
| 37 |
47 |
|
[EDO]B:148 |
1 |
1 |
185 |
f |
[NA]A:148 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 38 |
48 |
|
C |
2 |
2 |
9116 |
◊ |
C |
y,x,-z |
7_555 |
2 |
2 |
9116 |
1.5 |
0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
| 39 |
49 |
|
B |
1 |
1 |
9060 |
x |
B |
x-1/2,-y-1/2,-z+1/4 |
6_445 |
1 |
1 |
9060 |
0.2 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
|