## |
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 |
472 |
121 |
20263 |
◊ |
A |
x,y,z |
1_555 |
467 |
119 |
20534 |
4788.7 |
-67.2 |
0.008 |
52 |
23 |
0 |
0.665 |
2 |
2 |
|
A |
58 |
18 |
20534 |
◊ |
A |
-x,y,-z |
2_555 |
58 |
18 |
20534 |
488.9 |
-2.4 |
0.686 |
4 |
4 |
0 |
0.050 |
3 |
3 |
|
A |
34 |
9 |
20534 |
◊ |
A |
-x,y,-z+1 |
2_556 |
34 |
9 |
20534 |
354.9 |
-4.9 |
0.268 |
4 |
0 |
0 |
0.044 |
4 |
|
B |
28 |
8 |
20263 |
◊ |
B |
-x,y,-z+1 |
2_556 |
29 |
8 |
20263 |
317.2 |
-5.7 |
0.134 |
2 |
0 |
0 |
0.044 |
Average: |
336.0 |
-5.3 |
0.201 |
3 |
0 |
0 |
0.044 |
4 |
5 |
|
[B3O]A:408 |
23 |
1 |
504 |
f |
A |
x,y,z |
1_555 |
39 |
19 |
20534 |
341.2 |
2.0 |
0.344 |
3 |
0 |
0 |
0.002 |
6 |
|
[B3O]B:408 |
24 |
1 |
503 |
f |
B |
x,y,z |
1_555 |
39 |
20 |
20263 |
321.1 |
0.9 |
0.228 |
3 |
0 |
0 |
0.002 |
Average: |
331.2 |
1.4 |
0.286 |
3 |
0 |
0 |
0.002 |
5 |
7 |
|
B |
33 |
11 |
20263 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
35 |
10 |
20534 |
320.5 |
-0.4 |
0.686 |
7 |
4 |
0 |
0.000 |
6 |
8 |
|
B |
17 |
5 |
20263 |
◊ |
A |
-x,y,-z+1 |
2_556 |
18 |
6 |
20534 |
184.3 |
-4.1 |
0.102 |
3 |
0 |
0 |
0.036 |
7 |
9 |
|
B |
19 |
8 |
20263 |
x |
B |
x,y-1,z |
1_545 |
12 |
5 |
20263 |
129.6 |
2.1 |
0.871 |
4 |
4 |
0 |
0.000 |
10 |
|
A |
12 |
4 |
20534 |
x |
A |
x,y-1,z |
1_545 |
16 |
7 |
20534 |
127.2 |
3.3 |
0.955 |
5 |
6 |
0 |
0.000 |
Average: |
128.4 |
2.7 |
0.913 |
5 |
5 |
0 |
0.000 |
8 |
11 |
|
[ACT]B:407 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20263 |
88.4 |
-0.4 |
0.705 |
2 |
0 |
0 |
0.009 |
9 |
12 |
|
[EDO]B:405 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
20534 |
80.3 |
1.3 |
0.226 |
3 |
0 |
0 |
0.002 |
10 |
13 |
|
[EDO]B:402 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
20263 |
80.2 |
1.3 |
0.224 |
4 |
0 |
0 |
0.004 |
11 |
14 |
|
[EDO]B:403 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
20263 |
78.1 |
1.5 |
0.741 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[B3O]B:408 |
5 |
1 |
503 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
20534 |
77.7 |
1.7 |
0.324 |
0 |
0 |
0 |
0.000 |
16 |
|
[B3O]A:408 |
5 |
1 |
504 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
20263 |
76.1 |
1.8 |
0.354 |
0 |
0 |
0 |
0.000 |
Average: |
76.9 |
1.7 |
0.339 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
B |
10 |
3 |
20263 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
3 |
20534 |
76.2 |
1.7 |
0.892 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]B:403 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
20534 |
73.7 |
2.1 |
0.298 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]B:402 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
20534 |
73.5 |
2.2 |
0.460 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]B:405 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
20263 |
73.1 |
2.1 |
0.454 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
20263 |
69.4 |
1.3 |
0.238 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[NA]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
20263 |
64.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.071 |
19 |
23 |
|
[CL]A:404 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
9 |
5 |
20534 |
61.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.343 |
20 |
24 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20534 |
57.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.177 |
21 |
25 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20534 |
55.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.155 |
22 |
26 |
|
[NA]A:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20263 |
52.9 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.046 |
23 |
27 |
|
[NA]A:407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
20534 |
50.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.135 |
24 |
28 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20263 |
45.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.037 |
25 |
29 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
20534 |
44.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.118 |
26 |
30 |
|
[NA]A:406 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
20534 |
39.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.034 |
27 |
31 |
|
B |
4 |
2 |
20263 |
◊ |
[CL]A:402 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
125 |
37.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
[CL]A:404 |
-x,y,-z |
2_555 |
1 |
1 |
125 |
34.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
33 |
|
[NA]A:406 |
1 |
1 |
125 |
◊ |
[CL]A:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.017 |
30 |
34 |
|
A |
1 |
1 |
20534 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
20263 |
11.6 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[EDO]B:403 |
1 |
1 |
187 |
f |
[CL]A:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
36 |
|
[NA]A:407 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20263 |
5.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
33 |
37 |
|
[EDO]B:404 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
20534 |
3.8 |
0.1 |
0.886 |
0 |
0 |
0 |
0.000 |
|