## |
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 |
|
A |
72 |
16 |
15498 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
87 |
22 |
15498 |
693.6 |
-3.3 |
0.353 |
14 |
6 |
0 |
0.000 |
2 |
2 |
|
C |
71 |
20 |
14685 |
◊ |
A |
x,y,z |
1_555 |
59 |
15 |
15498 |
648.1 |
0.7 |
0.632 |
10 |
3 |
0 |
0.022 |
3 |
3 |
|
B |
59 |
15 |
14640 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
60 |
17 |
15498 |
545.8 |
-2.0 |
0.282 |
7 |
4 |
0 |
0.031 |
4 |
4 |
|
B |
61 |
16 |
14640 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
15498 |
540.0 |
-0.8 |
0.380 |
8 |
7 |
0 |
0.046 |
5 |
5 |
|
A |
56 |
17 |
15498 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
59 |
19 |
14640 |
505.6 |
3.8 |
0.826 |
8 |
8 |
0 |
0.000 |
6 |
6 |
|
G |
43 |
8 |
1150 |
◊ |
B |
x,y,z |
1_555 |
67 |
23 |
14640 |
414.8 |
-8.5 |
0.180 |
6 |
1 |
0 |
0.217 |
7 |
|
F |
34 |
8 |
1141 |
◊ |
A |
x,y,z |
1_555 |
53 |
20 |
15498 |
388.9 |
-7.8 |
0.179 |
10 |
4 |
0 |
0.217 |
Average: |
401.9 |
-8.1 |
0.180 |
8 |
3 |
0 |
0.217 |
7 |
8 |
|
C |
43 |
12 |
14685 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
14640 |
377.7 |
0.4 |
0.596 |
6 |
0 |
0 |
0.012 |
8 |
9 |
|
H |
26 |
5 |
909 |
◊ |
C |
x,y,z |
1_555 |
57 |
21 |
14685 |
332.3 |
-9.0 |
0.163 |
4 |
1 |
0 |
0.172 |
9 |
10 |
|
A |
32 |
12 |
15498 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
20 |
4 |
1141 |
240.5 |
-1.2 |
0.657 |
3 |
0 |
0 |
0.000 |
10 |
11 |
|
C |
20 |
6 |
14685 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
7 |
14640 |
216.6 |
-0.5 |
0.284 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
C |
30 |
8 |
14685 |
◊ |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
25 |
8 |
14640 |
215.8 |
2.7 |
0.817 |
1 |
4 |
0 |
0.000 |
12 |
13 |
|
C |
22 |
5 |
14685 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
24 |
7 |
15498 |
189.2 |
-2.0 |
0.260 |
0 |
0 |
0 |
0.011 |
13 |
14 |
|
[NHE]A:404 |
13 |
1 |
372 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
25 |
8 |
14640 |
186.1 |
5.0 |
0.221 |
3 |
0 |
0 |
0.000 |
14 |
15 |
|
C |
20 |
6 |
14685 |
◊ |
B |
x-1/2,-y+1/2,-z-1 |
4_454 |
23 |
5 |
14640 |
177.9 |
-1.5 |
0.330 |
1 |
0 |
0 |
0.010 |
15 |
16 |
|
[PG4]A:407 |
13 |
1 |
402 |
◊ |
A |
x,y,z |
1_555 |
26 |
6 |
15498 |
174.0 |
3.6 |
0.284 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
B |
25 |
7 |
14640 |
x |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
16 |
4 |
14640 |
167.4 |
1.5 |
0.731 |
2 |
1 |
0 |
0.000 |
17 |
18 |
|
[PGE]C:405 |
10 |
1 |
318 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
10 |
14640 |
161.6 |
4.6 |
0.328 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[PGE]A:405 |
10 |
1 |
327 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
15498 |
157.9 |
4.1 |
0.245 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[PG4]B:404 |
8 |
1 |
394 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
14640 |
155.4 |
5.1 |
0.482 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[PG4]B:406 |
13 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
14640 |
148.8 |
4.6 |
0.268 |
3 |
0 |
0 |
0.000 |
21 |
22 |
|
[PGE]C:404 |
9 |
1 |
332 |
◊ |
C |
x,y,z |
1_555 |
20 |
11 |
14685 |
143.6 |
4.3 |
0.298 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[PGE]B:405 |
9 |
1 |
330 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
14640 |
139.2 |
3.2 |
0.226 |
1 |
0 |
0 |
0.000 |
23 |
24 |
|
[PG4]B:406 |
11 |
1 |
396 |
◊ |
C |
x,y,z |
1_555 |
20 |
5 |
14685 |
129.9 |
2.1 |
0.167 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[PGE]A:406 |
8 |
1 |
328 |
◊ |
A |
x,y,z |
1_555 |
24 |
5 |
15498 |
128.6 |
4.0 |
0.363 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[NHE]A:404 |
10 |
1 |
372 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15498 |
113.0 |
1.9 |
0.107 |
1 |
0 |
0 |
0.000 |
26 |
27 |
|
[PGE]C:404 |
7 |
1 |
332 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
14640 |
72.3 |
0.4 |
0.055 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[NA]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15498 |
68.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.217 |
29 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
14640 |
68.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.217 |
30 |
|
[NA]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
14685 |
68.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.217 |
Average: |
68.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.217 |
28 |
31 |
|
A |
8 |
3 |
15498 |
◊ |
[PG4]B:404 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
394 |
58.5 |
2.1 |
0.382 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
C |
8 |
4 |
14685 |
x |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
10 |
3 |
14685 |
56.1 |
0.7 |
0.684 |
0 |
3 |
0 |
0.000 |
30 |
33 |
|
B |
6 |
2 |
14640 |
◊ |
G |
-x+2,y-1/2,-z-1/2 |
3_744 |
4 |
1 |
1150 |
48.5 |
-0.9 |
0.391 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
C |
4 |
2 |
14685 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
8 |
3 |
15498 |
43.1 |
1.2 |
0.766 |
0 |
0 |
0 |
0.000 |
32 |
35 |
|
C |
7 |
2 |
14685 |
f |
[PGE]C:405 |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
318 |
38.8 |
0.0 |
0.233 |
1 |
0 |
0 |
0.007 |
33 |
36 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
14685 |
38.4 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.469 |
37 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
15498 |
37.7 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.469 |
38 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
14640 |
37.5 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.469 |
Average: |
37.9 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.469 |
34 |
39 |
|
[PG4]B:406 |
3 |
1 |
396 |
f |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
2 |
1 |
14640 |
34.8 |
0.4 |
0.120 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[NHE]A:404 |
4 |
1 |
372 |
◊ |
[PG4]B:404 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
394 |
34.1 |
1.7 |
0.156 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[PGE]B:405 |
4 |
1 |
330 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
15498 |
31.0 |
0.4 |
0.125 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[ZN]A:401 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
1141 |
29.0 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.234 |
43 |
|
[ZN]B:401 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
1150 |
28.6 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.234 |
Average: |
28.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.234 |
38 |
44 |
|
[ZN]C:401 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
909 |
27.6 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.201 |
39 |
45 |
|
[PG4]A:407 |
5 |
1 |
402 |
f |
B |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
14640 |
27.3 |
1.2 |
0.385 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
B |
1 |
1 |
14640 |
◊ |
[PGE]A:406 |
-x+3/2,-y+1,z-1/2 |
2_664 |
4 |
1 |
328 |
24.0 |
0.3 |
0.073 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[PGE]C:404 |
2 |
1 |
332 |
f |
[PGE]B:405 |
x,y,z |
1_555 |
1 |
1 |
330 |
9.9 |
0.3 |
0.197 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[PGE]C:404 |
1 |
1 |
332 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15498 |
7.0 |
0.1 |
0.276 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
C |
2 |
1 |
14685 |
f |
[PGE]A:406 |
-x+1,y-1/2,-z-1/2 |
3_644 |
2 |
1 |
328 |
2.0 |
0.0 |
0.243 |
0 |
0 |
0 |
0.000 |
|