## |
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 |
|
D |
171 |
48 |
15302 |
◊ |
C |
x,y,z |
1_555 |
178 |
46 |
15121 |
1777.0 |
-24.1 |
0.041 |
12 |
0 |
0 |
1.000 |
2 |
|
B |
173 |
49 |
15223 |
◊ |
A |
x,y,z |
1_555 |
178 |
47 |
15355 |
1776.6 |
-24.2 |
0.044 |
12 |
0 |
0 |
1.000 |
Average: |
1776.8 |
-24.1 |
0.043 |
12 |
0 |
0 |
1.000 |
2 |
3 |
|
H |
68 |
10 |
1464 |
◊ |
D |
x,y,z |
1_555 |
125 |
40 |
15302 |
796.4 |
-8.9 |
0.611 |
6 |
3 |
0 |
1.000 |
4 |
|
E |
63 |
9 |
1336 |
◊ |
A |
x,y,z |
1_555 |
132 |
42 |
15355 |
792.7 |
-9.1 |
0.579 |
6 |
4 |
0 |
1.000 |
5 |
|
F |
65 |
9 |
1342 |
◊ |
B |
x,y,z |
1_555 |
125 |
41 |
15223 |
774.5 |
-8.5 |
0.588 |
6 |
3 |
0 |
1.000 |
6 |
|
G |
63 |
9 |
1333 |
◊ |
C |
x,y,z |
1_555 |
126 |
40 |
15121 |
754.3 |
-8.7 |
0.597 |
5 |
5 |
0 |
1.000 |
Average: |
779.5 |
-8.8 |
0.594 |
6 |
4 |
0 |
1.000 |
3 |
7 |
|
C |
73 |
17 |
15121 |
◊ |
C |
-x+1,-y,z |
2_655 |
73 |
17 |
15121 |
673.9 |
-11.9 |
0.062 |
2 |
0 |
0 |
0.219 |
8 |
|
A |
74 |
16 |
15355 |
◊ |
A |
-x+1,-y,z |
2_655 |
74 |
16 |
15355 |
661.4 |
-10.0 |
0.136 |
3 |
0 |
0 |
0.219 |
Average: |
667.7 |
-11.0 |
0.099 |
3 |
0 |
0 |
0.219 |
4 |
9 |
|
D |
73 |
25 |
15302 |
◊ |
B |
x,y,z |
1_555 |
75 |
25 |
15223 |
665.9 |
-5.4 |
0.423 |
0 |
0 |
0 |
0.000 |
5 |
10 |
|
C |
68 |
22 |
15121 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
63 |
19 |
15302 |
616.8 |
-1.6 |
0.696 |
3 |
3 |
0 |
0.097 |
11 |
|
B |
56 |
18 |
15223 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
59 |
22 |
15355 |
544.3 |
-2.8 |
0.548 |
0 |
1 |
0 |
0.097 |
Average: |
580.5 |
-2.2 |
0.622 |
2 |
2 |
0 |
0.097 |
6 |
12 |
|
C |
38 |
13 |
15121 |
◊ |
D |
x-1,y,z |
1_455 |
41 |
16 |
15302 |
393.1 |
-1.3 |
0.614 |
1 |
3 |
0 |
0.000 |
7 |
13 |
|
D |
44 |
11 |
15302 |
◊ |
C |
-x+1,-y,z |
2_655 |
39 |
10 |
15121 |
356.4 |
-4.3 |
0.291 |
0 |
0 |
0 |
0.149 |
14 |
|
B |
42 |
9 |
15223 |
◊ |
A |
-x+1,-y,z |
2_655 |
41 |
11 |
15355 |
344.4 |
-3.4 |
0.411 |
0 |
0 |
0 |
0.149 |
Average: |
350.4 |
-3.9 |
0.351 |
0 |
0 |
0 |
0.149 |
8 |
15 |
|
B |
28 |
11 |
15223 |
◊ |
A |
x-1,y,z |
1_455 |
29 |
12 |
15355 |
282.3 |
-3.2 |
0.301 |
0 |
2 |
0 |
0.000 |
9 |
16 |
|
B |
31 |
12 |
15223 |
◊ |
[PG6]A:505 |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
1 |
543 |
213.3 |
4.2 |
0.193 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
B |
19 |
7 |
15223 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
21 |
9 |
15355 |
168.4 |
-0.0 |
0.696 |
0 |
1 |
0 |
0.000 |
11 |
18 |
|
D |
19 |
5 |
15302 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
15355 |
154.9 |
-1.9 |
0.392 |
1 |
0 |
0 |
0.000 |
19 |
|
C |
16 |
5 |
15121 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
15223 |
152.4 |
-1.6 |
0.376 |
1 |
0 |
0 |
0.000 |
Average: |
153.6 |
-1.8 |
0.384 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
[PG6]A:505 |
12 |
1 |
543 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15355 |
154.8 |
3.7 |
0.281 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
D |
19 |
7 |
15302 |
◊ |
C |
-x+1,-y+1,z |
2_665 |
18 |
8 |
15121 |
144.2 |
-0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
A |
14 |
6 |
15355 |
◊ |
A |
-x+2,-y+1,z |
2_765 |
14 |
6 |
15355 |
126.6 |
-0.4 |
0.624 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[PEG]C:503 |
6 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
15121 |
113.2 |
2.1 |
0.321 |
0 |
0 |
0 |
0.000 |
16 |
24 |
|
[DXE]A:504 |
6 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
15355 |
112.2 |
4.3 |
0.276 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[EDO]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
15223 |
108.4 |
3.1 |
0.481 |
2 |
0 |
0 |
0.000 |
18 |
26 |
|
[EDO]C:502 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
15121 |
102.0 |
3.3 |
0.491 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[PEG]A:502 |
7 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
15355 |
100.5 |
2.1 |
0.300 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
H |
5 |
1 |
1464 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
15121 |
88.9 |
-2.0 |
0.313 |
0 |
0 |
0 |
0.040 |
29 |
|
F |
1 |
1 |
1342 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15355 |
6.1 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.040 |
30 |
|
G |
1 |
1 |
1333 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15302 |
1.3 |
0.0 |
0.717 |
0 |
0 |
0 |
0.040 |
Average: |
32.1 |
-0.7 |
0.559 |
0 |
0 |
0 |
0.040 |
21 |
31 |
|
[PEG]D:502 |
6 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
15223 |
83.2 |
1.8 |
0.319 |
1 |
0 |
0 |
0.000 |
22 |
32 |
|
[SO4]A:506 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15355 |
78.9 |
-11.0 |
0.792 |
1 |
0 |
0 |
0.720 |
23 |
33 |
|
[EDO]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
15223 |
77.0 |
2.2 |
0.271 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[EDO]A:501 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15355 |
75.0 |
2.0 |
0.278 |
1 |
0 |
0 |
0.000 |
25 |
35 |
|
[EDO]D:501 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
15302 |
74.7 |
1.8 |
0.260 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[PEG]A:503 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
15355 |
74.6 |
-0.1 |
0.120 |
0 |
0 |
0 |
0.002 |
27 |
37 |
|
[EDO]C:501 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
15121 |
74.4 |
1.8 |
0.267 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
B |
15 |
6 |
15223 |
◊ |
[SO4]A:506 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
185 |
70.9 |
-9.6 |
0.819 |
0 |
0 |
0 |
0.318 |
29 |
39 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
15223 |
65.4 |
2.1 |
0.291 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
[PEG]A:503 |
6 |
1 |
255 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
15302 |
64.0 |
1.2 |
0.251 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[PEG]D:502 |
3 |
1 |
253 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
15302 |
55.6 |
0.2 |
0.259 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[DXE]A:504 |
4 |
1 |
252 |
f |
A |
-x+1,-y,z |
2_655 |
3 |
1 |
15355 |
37.6 |
1.0 |
0.092 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[PEG]C:503 |
3 |
1 |
259 |
◊ |
C |
-x+1,-y,z |
2_655 |
4 |
2 |
15121 |
36.9 |
0.5 |
0.308 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
[PEG]C:503 |
2 |
1 |
259 |
◊ |
[EDO]C:502 |
x,y,z |
1_555 |
3 |
1 |
184 |
26.2 |
1.2 |
0.495 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
C |
4 |
1 |
15121 |
◊ |
A |
-x+1,-y+1,z |
2_665 |
3 |
1 |
15355 |
12.1 |
0.1 |
0.690 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[PEG]A:503 |
1 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
15223 |
9.1 |
-0.2 |
0.303 |
0 |
0 |
0 |
0.040 |
37 |
47 |
|
C |
1 |
1 |
15121 |
◊ |
C |
-x,-y+1,z |
2_565 |
1 |
1 |
15121 |
8.0 |
-0.3 |
0.253 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[EDO]C:502 |
2 |
1 |
184 |
f |
C |
-x+1,-y,z |
2_655 |
1 |
1 |
15121 |
6.7 |
-0.0 |
0.531 |
0 |
0 |
0 |
0.001 |
39 |
49 |
|
H |
2 |
1 |
1464 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1333 |
6.1 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
D |
1 |
1 |
15302 |
◊ |
D |
-x+2,-y,z |
2_755 |
1 |
1 |
15302 |
4.0 |
-0.1 |
0.355 |
0 |
0 |
0 |
0.000 |
|