## |
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 |
101 |
30 |
14224 |
◊ |
A |
x,y,z |
1_555 |
101 |
29 |
13448 |
877.3 |
-3.4 |
0.451 |
10 |
8 |
0 |
0.059 |
2 |
2 |
|
B |
61 |
22 |
14224 |
◊ |
A |
x-1,y+1,z |
1_465 |
53 |
15 |
13448 |
540.3 |
-0.0 |
0.544 |
8 |
7 |
0 |
0.000 |
3 |
3 |
|
A |
48 |
12 |
13448 |
◊ |
B |
x,y-1,z+1 |
1_546 |
37 |
13 |
14224 |
376.8 |
1.0 |
0.641 |
11 |
5 |
0 |
0.000 |
4 |
4 |
|
B |
33 |
11 |
14224 |
x |
B |
x-1,y,z |
1_455 |
31 |
10 |
14224 |
288.7 |
2.6 |
0.806 |
4 |
1 |
0 |
0.000 |
5 |
5 |
|
B |
26 |
7 |
14224 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
11 |
13448 |
278.0 |
5.2 |
0.944 |
10 |
10 |
0 |
0.000 |
6 |
6 |
|
B |
29 |
8 |
14224 |
x |
B |
x,y,z-1 |
1_554 |
30 |
9 |
14224 |
267.2 |
-1.3 |
0.421 |
5 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
23 |
8 |
14224 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
9 |
13448 |
195.6 |
2.4 |
0.802 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
22 |
4 |
13448 |
x |
A |
x,y,z-1 |
1_554 |
24 |
5 |
13448 |
194.4 |
-0.4 |
0.484 |
2 |
0 |
0 |
0.000 |
9 |
9 |
|
[B3P]B:301 |
12 |
1 |
479 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
13448 |
167.3 |
4.3 |
0.549 |
9 |
0 |
0 |
0.000 |
10 |
10 |
|
[B3P]B:301 |
14 |
1 |
479 |
◊ |
B |
x,y,z |
1_555 |
22 |
7 |
14224 |
161.9 |
2.4 |
0.358 |
3 |
0 |
0 |
0.000 |
11 |
11 |
|
A |
20 |
5 |
13448 |
x |
A |
x-1,y,z |
1_455 |
22 |
7 |
13448 |
157.5 |
-2.2 |
0.301 |
0 |
1 |
0 |
0.000 |
12 |
12 |
|
[EDO]A:305 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
13448 |
111.7 |
3.3 |
0.626 |
3 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
13448 |
98.4 |
2.4 |
0.434 |
3 |
0 |
0 |
0.000 |
14 |
14 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
14224 |
86.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.079 |
15 |
15 |
|
[CL]B:311 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14224 |
76.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.064 |
16 |
16 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14224 |
73.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.064 |
17 |
17 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
13448 |
72.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.064 |
18 |
18 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13448 |
67.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.063 |
19 |
19 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13448 |
65.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.128 |
20 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14224 |
63.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
64.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.128 |
20 |
21 |
|
[CL]B:312 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14224 |
64.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.081 |
21 |
22 |
|
[IOD]B:314 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
14224 |
64.0 |
-0.3 |
0.638 |
0 |
0 |
0 |
0.002 |
22 |
23 |
|
[IOD]B:313 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14224 |
62.4 |
-0.5 |
0.553 |
0 |
0 |
0 |
0.004 |
23 |
24 |
|
[CL]B:309 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14224 |
62.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.056 |
24 |
25 |
|
[CL]B:307 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14224 |
61.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.048 |
25 |
26 |
|
[CL]B:308 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14224 |
57.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.048 |
26 |
27 |
|
[IOD]B:314 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
13448 |
56.8 |
-0.4 |
0.621 |
0 |
0 |
0 |
0.003 |
27 |
28 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
13448 |
56.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
14224 |
55.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
56.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.100 |
28 |
30 |
|
B |
10 |
3 |
14224 |
f |
[CL]B:306 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
53.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.045 |
29 |
31 |
|
A |
9 |
5 |
13448 |
◊ |
[IOD]B:313 |
x,y-1,z+1 |
1_546 |
1 |
1 |
144 |
51.2 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[CL]B:306 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14224 |
47.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[CL]B:307 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13448 |
44.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.036 |
32 |
34 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14224 |
37.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.029 |
33 |
35 |
|
[CL]B:308 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
13448 |
30.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.025 |
34 |
36 |
|
B |
2 |
1 |
14224 |
f |
[EDO]A:305 |
x-1,y+1,z |
1_465 |
2 |
1 |
185 |
23.3 |
0.3 |
0.370 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
B |
3 |
1 |
14224 |
◊ |
[CL]A:302 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
20.5 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13448 |
17.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.013 |
37 |
39 |
|
B |
3 |
1 |
14224 |
◊ |
[MG]B:303 |
x-1,y,z |
1_455 |
1 |
1 |
98 |
17.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
A |
3 |
1 |
13448 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
14224 |
13.3 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
A |
1 |
1 |
13448 |
f |
[EDO]A:306 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
6.8 |
0.2 |
0.909 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[CL]B:309 |
1 |
1 |
125 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
14224 |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[B3P]B:301 |
1 |
1 |
479 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13448 |
3.4 |
-0.2 |
0.260 |
0 |
0 |
0 |
0.002 |
42 |
44 |
|
[B3P]B:301 |
1 |
1 |
479 |
◊ |
[CL]B:304 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
45 |
|
B |
1 |
1 |
14224 |
◊ |
[CL]A:304 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|