## |
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 |
|
F |
130 |
19 |
6496 |
◊ |
A |
x,y,z |
1_555 |
163 |
59 |
14830 |
1435.6 |
-24.1 |
0.368 |
24 |
0 |
0 |
0.636 |
2 |
|
D |
120 |
20 |
6500 |
◊ |
B |
x,y,z |
1_555 |
140 |
53 |
14220 |
1259.1 |
-21.7 |
0.382 |
24 |
0 |
0 |
0.636 |
Average: |
1347.3 |
-22.9 |
0.375 |
24 |
0 |
0 |
0.636 |
2 |
3 |
|
C |
142 |
21 |
6405 |
◊ |
B |
x,y,z |
1_555 |
169 |
52 |
14220 |
1377.7 |
-12.3 |
0.605 |
18 |
0 |
0 |
0.915 |
4 |
|
E |
142 |
21 |
6380 |
◊ |
A |
x,y,z |
1_555 |
165 |
52 |
14830 |
1354.7 |
-11.3 |
0.631 |
19 |
0 |
0 |
0.915 |
Average: |
1366.2 |
-11.8 |
0.618 |
19 |
0 |
0 |
0.915 |
3 |
5 |
|
D |
137 |
28 |
6500 |
◊ |
C |
x,y,z |
1_555 |
141 |
28 |
6405 |
1345.8 |
-17.0 |
0.768 |
69 |
0 |
0 |
0.869 |
6 |
|
F |
138 |
28 |
6496 |
◊ |
E |
x,y,z |
1_555 |
143 |
28 |
6380 |
1337.8 |
-17.6 |
0.770 |
68 |
0 |
0 |
0.869 |
Average: |
1341.8 |
-17.3 |
0.769 |
69 |
0 |
0 |
0.869 |
4 |
7 |
|
B |
84 |
22 |
14220 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
87 |
22 |
14830 |
763.8 |
1.8 |
0.779 |
9 |
4 |
0 |
0.116 |
5 |
8 |
|
B |
30 |
10 |
14220 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
29 |
8 |
14830 |
294.2 |
-1.8 |
0.413 |
5 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
24 |
6 |
14830 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
29 |
8 |
14830 |
255.6 |
-0.5 |
0.414 |
1 |
1 |
0 |
0.000 |
7 |
10 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
14830 |
106.1 |
3.8 |
0.489 |
3 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
16 |
2 |
6500 |
◊ |
C |
x,y-1,z |
1_545 |
13 |
2 |
6405 |
100.1 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
12 |
|
F |
18 |
3 |
6496 |
◊ |
E |
x,y-1,z |
1_545 |
14 |
2 |
6380 |
97.2 |
-0.0 |
0.676 |
0 |
0 |
0 |
0.000 |
Average: |
98.6 |
-0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]B:304 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
14220 |
98.1 |
2.9 |
0.455 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]E:101 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
14830 |
95.6 |
2.7 |
0.420 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
11 |
1 |
6405 |
x |
C |
x,y-1,z |
1_545 |
12 |
2 |
6405 |
79.3 |
1.8 |
0.768 |
0 |
0 |
0 |
0.000 |
16 |
|
E |
11 |
1 |
6380 |
x |
E |
x,y-1,z |
1_545 |
11 |
1 |
6380 |
76.5 |
2.0 |
0.784 |
0 |
0 |
0 |
0.000 |
Average: |
77.9 |
1.9 |
0.776 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]D:101 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
6500 |
72.7 |
3.1 |
0.936 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
C |
6 |
1 |
6405 |
◊ |
D |
x,y-1,z |
1_545 |
14 |
1 |
6500 |
70.6 |
1.7 |
0.804 |
0 |
0 |
0 |
0.000 |
19 |
|
E |
6 |
1 |
6380 |
◊ |
F |
x,y-1,z |
1_545 |
13 |
1 |
6496 |
68.7 |
1.6 |
0.797 |
0 |
0 |
0 |
0.000 |
Average: |
69.7 |
1.7 |
0.801 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]F:101 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
6496 |
69.7 |
2.7 |
0.930 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
B |
10 |
6 |
14220 |
◊ |
F |
-x-1,y-1/2,-z-1/2 |
3_444 |
11 |
3 |
6496 |
57.3 |
-2.2 |
0.479 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]E:101 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
6380 |
56.9 |
1.8 |
0.853 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]B:304 |
2 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
6500 |
52.0 |
-0.0 |
0.449 |
1 |
0 |
0 |
0.009 |
18 |
24 |
|
E |
7 |
2 |
6380 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
2 |
14830 |
46.9 |
-0.9 |
0.491 |
1 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]F:101 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
6380 |
44.7 |
1.4 |
0.271 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
B |
3 |
2 |
14220 |
◊ |
E |
-x-1,y-1/2,-z-1/2 |
3_444 |
5 |
2 |
6380 |
39.1 |
-1.4 |
0.209 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[EDO]D:101 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
6405 |
37.8 |
0.5 |
0.718 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
B |
3 |
2 |
14220 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
8 |
3 |
6405 |
35.4 |
0.9 |
0.730 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[CA]B:303 |
1 |
1 |
85 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
14830 |
32.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.505 |
30 |
|
[CA]B:303 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14220 |
31.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.505 |
Average: |
32.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.505 |
24 |
31 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
14220 |
30.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.489 |
32 |
|
[CA]A:301 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
14830 |
28.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.489 |
Average: |
29.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.489 |
25 |
33 |
|
[CA]B:302 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
6500 |
28.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.114 |
34 |
|
[CA]A:302 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
6496 |
25.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
26.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.114 |
26 |
35 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14830 |
28.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.103 |
36 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
14220 |
26.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.103 |
Average: |
27.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.103 |
27 |
37 |
|
[CA]B:301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
6500 |
25.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.094 |
38 |
|
[CA]A:301 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
6496 |
24.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
24.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.094 |
28 |
39 |
|
D |
5 |
2 |
6500 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14830 |
23.8 |
-0.7 |
0.560 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6380 |
20.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.070 |
41 |
|
[CA]B:302 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6405 |
20.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
20.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
30 |
42 |
|
[CA]B:301 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6405 |
16.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.104 |
43 |
|
[CA]A:301 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
6380 |
14.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
15.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.104 |
31 |
44 |
|
[EDO]F:101 |
2 |
1 |
183 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
14830 |
11.5 |
0.2 |
0.627 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
A |
4 |
2 |
14830 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
14830 |
9.8 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
F |
1 |
1 |
6496 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14220 |
9.1 |
-0.6 |
0.201 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
C |
1 |
1 |
6405 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14830 |
8.9 |
-0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[CA]A:302 |
1 |
1 |
85 |
◊ |
[CA]A:301 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
49 |
|
F |
3 |
2 |
6496 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
14830 |
4.0 |
0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
|