## |
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 |
207 |
53 |
12025 |
◊ |
E |
x,y,z |
1_555 |
212 |
54 |
12249 |
2111.3 |
-16.7 |
0.185 |
27 |
20 |
0 |
1.000 |
2 |
|
D |
205 |
54 |
12248 |
◊ |
C |
x,y,z |
1_555 |
213 |
57 |
11959 |
2094.2 |
-19.5 |
0.113 |
24 |
16 |
0 |
1.000 |
3 |
|
B |
201 |
53 |
12035 |
◊ |
A |
x,y,z |
1_555 |
207 |
55 |
12034 |
2059.4 |
-15.4 |
0.171 |
26 |
18 |
0 |
1.000 |
Average: |
2088.3 |
-17.2 |
0.156 |
26 |
18 |
0 |
1.000 |
2 |
4 |
|
C |
69 |
17 |
11959 |
◊ |
A |
x,y,z |
1_555 |
77 |
20 |
12034 |
599.0 |
-6.2 |
0.273 |
4 |
2 |
0 |
0.000 |
5 |
|
E |
58 |
14 |
12249 |
◊ |
D |
x,y,z |
1_555 |
56 |
14 |
12248 |
476.4 |
-3.9 |
0.392 |
3 |
0 |
0 |
0.000 |
Average: |
537.7 |
-5.0 |
0.332 |
4 |
1 |
0 |
0.000 |
3 |
6 |
|
B |
68 |
18 |
12035 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
63 |
17 |
12025 |
507.7 |
-5.2 |
0.300 |
4 |
0 |
0 |
0.000 |
4 |
7 |
|
E |
44 |
12 |
12249 |
x |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
53 |
13 |
12249 |
462.4 |
1.8 |
0.705 |
5 |
1 |
0 |
0.000 |
8 |
|
B |
36 |
10 |
12035 |
x |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
41 |
13 |
11959 |
309.1 |
-0.2 |
0.637 |
2 |
4 |
0 |
0.000 |
Average: |
385.7 |
0.8 |
0.671 |
4 |
3 |
0 |
0.000 |
5 |
9 |
|
B |
22 |
7 |
12035 |
x |
B |
x-1,y,z |
1_455 |
29 |
9 |
12035 |
234.6 |
1.8 |
0.661 |
2 |
1 |
0 |
0.000 |
6 |
10 |
|
D |
19 |
8 |
12248 |
◊ |
F |
x-1/2,-y-1/2,-z+1 |
4_446 |
21 |
8 |
12025 |
197.9 |
-0.4 |
0.439 |
4 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
19 |
6 |
11959 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
17 |
4 |
12035 |
159.2 |
-1.4 |
0.423 |
1 |
0 |
0 |
0.000 |
12 |
|
E |
13 |
4 |
12249 |
x |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
14 |
5 |
12249 |
103.1 |
0.2 |
0.621 |
1 |
2 |
0 |
0.000 |
Average: |
131.1 |
-0.6 |
0.522 |
1 |
1 |
0 |
0.000 |
8 |
13 |
|
F |
21 |
3 |
12025 |
x |
F |
x-1,y,z |
1_455 |
12 |
5 |
12025 |
133.3 |
-0.6 |
0.532 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
17 |
8 |
11959 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
16 |
6 |
12035 |
129.0 |
1.5 |
0.798 |
0 |
1 |
0 |
0.000 |
10 |
15 |
|
C |
13 |
4 |
11959 |
x |
C |
x-1,y,z |
1_455 |
13 |
4 |
11959 |
126.5 |
-2.2 |
0.231 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[EDO]D:301 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
12248 |
108.3 |
3.2 |
0.482 |
4 |
0 |
0 |
0.000 |
12 |
17 |
|
A |
10 |
4 |
12034 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
5 |
12034 |
100.2 |
-1.6 |
0.308 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]B:304 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
12035 |
93.0 |
2.3 |
0.399 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
D |
12 |
3 |
12248 |
x |
D |
x-1,y,z |
1_455 |
10 |
4 |
12248 |
86.1 |
-0.2 |
0.595 |
1 |
1 |
0 |
0.000 |
15 |
20 |
|
[EDO]B:303 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
12034 |
81.4 |
2.8 |
0.512 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]A:303 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
12035 |
79.2 |
2.9 |
0.511 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]C:302 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
16 |
5 |
12248 |
79.2 |
2.9 |
0.513 |
1 |
0 |
0 |
0.000 |
Average: |
79.2 |
2.9 |
0.512 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]D:302 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
17 |
5 |
11959 |
77.8 |
2.7 |
0.513 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
11959 |
77.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.304 |
25 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
12035 |
76.6 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.304 |
26 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12034 |
73.6 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.304 |
Average: |
75.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.304 |
19 |
27 |
|
F |
11 |
6 |
12025 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
2 |
12249 |
73.2 |
0.0 |
0.603 |
2 |
0 |
0 |
0.000 |
28 |
|
A |
10 |
4 |
12034 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
1 |
11959 |
61.4 |
-0.2 |
0.536 |
1 |
0 |
0 |
0.000 |
Average: |
67.3 |
-0.1 |
0.569 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[EDO]D:302 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
12248 |
72.1 |
2.3 |
0.305 |
3 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]A:303 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
12034 |
71.4 |
2.2 |
0.307 |
4 |
0 |
0 |
0.000 |
31 |
|
[EDO]C:302 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
11959 |
69.6 |
2.1 |
0.306 |
4 |
0 |
0 |
0.000 |
Average: |
70.5 |
2.1 |
0.306 |
4 |
0 |
0 |
0.000 |
22 |
32 |
|
[EDO]B:303 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12035 |
70.6 |
2.3 |
0.315 |
4 |
0 |
0 |
0.000 |
23 |
33 |
|
A |
8 |
5 |
12034 |
x |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
11 |
5 |
12034 |
69.8 |
1.5 |
0.820 |
1 |
1 |
0 |
0.000 |
24 |
34 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12035 |
57.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.204 |
35 |
|
[CL]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12034 |
54.6 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.204 |
Average: |
56.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.204 |
25 |
36 |
|
[EDO]B:304 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
12034 |
44.7 |
0.6 |
0.650 |
1 |
0 |
0 |
0.000 |
26 |
37 |
|
E |
3 |
2 |
12249 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
12025 |
44.2 |
-0.9 |
0.200 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
6 |
2 |
12035 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
12248 |
39.8 |
-1.0 |
0.207 |
0 |
0 |
0 |
0.000 |
Average: |
42.0 |
-1.0 |
0.203 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
B |
5 |
2 |
12035 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
11959 |
39.2 |
-0.3 |
0.503 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
12034 |
33.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.107 |
41 |
|
[CL]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12035 |
33.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
33.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.107 |
29 |
42 |
|
F |
2 |
1 |
12025 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
12248 |
22.3 |
-0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
[CL]A:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
18.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.049 |
31 |
44 |
|
C |
2 |
1 |
11959 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
12248 |
16.6 |
0.5 |
0.598 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
[CL]B:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
16.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.044 |
33 |
46 |
|
F |
3 |
2 |
12025 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
3 |
2 |
12248 |
15.8 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
C |
1 |
1 |
11959 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
12034 |
6.1 |
0.3 |
0.838 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
D |
2 |
1 |
12248 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
12025 |
5.8 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
D |
1 |
1 |
12248 |
◊ |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
12249 |
4.7 |
0.3 |
0.863 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
D |
1 |
1 |
12248 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
11959 |
3.5 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
[EDO]D:301 |
1 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
11959 |
1.4 |
0.0 |
0.696 |
0 |
0 |
0 |
0.000 |
|