## |
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 |
61 |
19 |
15004 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
14739 |
591.9 |
0.3 |
0.581 |
13 |
4 |
0 |
0.000 |
2 |
2 |
|
B |
56 |
15 |
14629 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
62 |
17 |
14739 |
567.8 |
-0.1 |
0.383 |
9 |
7 |
0 |
0.000 |
3 |
|
B |
58 |
14 |
14629 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
14739 |
526.2 |
-0.2 |
0.348 |
10 |
7 |
0 |
0.000 |
Average: |
547.0 |
-0.1 |
0.365 |
10 |
7 |
0 |
0.000 |
3 |
4 |
|
A |
58 |
16 |
14739 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
53 |
18 |
14629 |
547.7 |
4.8 |
0.874 |
9 |
15 |
0 |
0.000 |
4 |
5 |
|
[YED]C:406 |
38 |
1 |
893 |
f |
C |
x,y,z |
1_555 |
62 |
23 |
15004 |
439.0 |
0.6 |
0.387 |
11 |
0 |
0 |
0.013 |
6 |
|
[YED]B:409 |
36 |
1 |
892 |
f |
B |
x,y,z |
1_555 |
65 |
23 |
14629 |
437.9 |
-0.8 |
0.186 |
12 |
0 |
0 |
0.013 |
7 |
|
[YED]A:407 |
37 |
1 |
898 |
f |
A |
x,y,z |
1_555 |
61 |
22 |
14739 |
434.2 |
-0.6 |
0.182 |
11 |
0 |
0 |
0.013 |
Average: |
437.1 |
-0.3 |
0.252 |
11 |
0 |
0 |
0.013 |
5 |
8 |
|
A |
47 |
10 |
14739 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
48 |
9 |
14739 |
405.5 |
0.6 |
0.562 |
5 |
4 |
0 |
0.000 |
6 |
9 |
|
C |
45 |
11 |
15004 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
14629 |
341.1 |
-1.0 |
0.450 |
6 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
22 |
7 |
15004 |
◊ |
B |
x-1,y,z |
1_455 |
32 |
8 |
14629 |
249.2 |
-0.9 |
0.329 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
20 |
6 |
15004 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
5 |
14629 |
185.5 |
-1.1 |
0.326 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
C |
26 |
7 |
15004 |
◊ |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
22 |
8 |
14629 |
177.0 |
3.2 |
0.855 |
2 |
6 |
0 |
0.000 |
10 |
13 |
|
C |
17 |
5 |
15004 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
16 |
4 |
14739 |
162.9 |
-1.1 |
0.369 |
3 |
1 |
0 |
0.000 |
11 |
14 |
|
[PEG]B:406 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
14629 |
143.0 |
4.8 |
0.504 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
B |
24 |
7 |
14629 |
x |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
15 |
4 |
14629 |
139.1 |
1.2 |
0.706 |
3 |
1 |
0 |
0.000 |
13 |
16 |
|
[PEG]C:404 |
7 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
19 |
10 |
15004 |
134.3 |
2.7 |
0.267 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[PEG]A:404 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
14739 |
130.7 |
1.6 |
0.208 |
0 |
0 |
0 |
0.000 |
15 |
18 |
|
[PEG]A:405 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
21 |
5 |
14739 |
125.1 |
2.9 |
0.333 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]B:404 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
14629 |
123.2 |
2.8 |
0.320 |
0 |
0 |
0 |
0.000 |
17 |
20 |
|
[PEG]B:407 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14629 |
110.2 |
2.6 |
0.306 |
3 |
0 |
0 |
0.000 |
18 |
21 |
|
[PEG]B:405 |
6 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
23 |
5 |
14629 |
103.9 |
1.2 |
0.238 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[PEG]A:406 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
14739 |
101.6 |
3.4 |
0.378 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
[PEG]C:405 |
7 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
15004 |
101.4 |
3.9 |
0.408 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[PEG]B:407 |
6 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
15004 |
96.0 |
2.1 |
0.268 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
[PEG]B:408 |
6 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14629 |
77.2 |
2.7 |
0.351 |
2 |
0 |
0 |
0.000 |
23 |
26 |
|
[PEG]C:404 |
7 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
14629 |
63.1 |
-0.0 |
0.067 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
A |
6 |
4 |
14739 |
◊ |
[PEG]B:406 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
262 |
62.2 |
0.3 |
0.154 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
C |
8 |
4 |
15004 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
5 |
15004 |
52.4 |
0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
[CA]A:403 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
14739 |
49.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14629 |
48.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.027 |
31 |
|
[CA]C:402 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
15004 |
47.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
48.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.027 |
27 |
32 |
|
[PEG]C:405 |
5 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
14629 |
42.5 |
1.1 |
0.258 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
15004 |
36.1 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.056 |
34 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
14629 |
35.8 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.056 |
35 |
|
[ZN]A:401 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
8 |
6 |
14739 |
35.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
35.8 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.056 |
29 |
36 |
|
[YED]B:409 |
4 |
1 |
892 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.027 |
37 |
|
[YED]C:406 |
5 |
1 |
893 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.027 |
38 |
|
[YED]A:407 |
4 |
1 |
898 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.027 |
Average: |
30.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.027 |
30 |
39 |
|
[PEG]C:405 |
2 |
1 |
260 |
f |
[PEG]B:408 |
x,y,z |
1_555 |
3 |
1 |
255 |
28.9 |
0.3 |
0.130 |
1 |
0 |
0 |
0.000 |
31 |
40 |
|
[PEG]B:405 |
3 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
14739 |
28.6 |
0.3 |
0.160 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
A |
4 |
1 |
14739 |
◊ |
[PEG]B:404 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
257 |
27.1 |
1.2 |
0.506 |
1 |
0 |
0 |
0.000 |
33 |
42 |
|
C |
2 |
2 |
15004 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
14739 |
24.4 |
0.8 |
0.798 |
1 |
1 |
0 |
0.000 |
34 |
43 |
|
B |
1 |
1 |
14629 |
f |
[PEG]A:406 |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
259 |
20.4 |
0.0 |
0.113 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[PEG]A:405 |
1 |
1 |
260 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
14629 |
11.3 |
0.5 |
0.604 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[PEG]B:406 |
1 |
1 |
262 |
f |
[PEG]B:404 |
x,y,z |
1_555 |
1 |
1 |
257 |
8.6 |
0.2 |
0.202 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
A |
2 |
1 |
14739 |
◊ |
[YED]A:407 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
898 |
6.3 |
-0.2 |
0.376 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
[YED]C:406 |
1 |
1 |
893 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
15004 |
4.7 |
-0.1 |
0.338 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
B |
1 |
1 |
14629 |
◊ |
[YED]B:409 |
-x+2,y-1/2,-z-1/2 |
3_744 |
1 |
1 |
892 |
3.2 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|