## |
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 |
|
H |
233 |
58 |
21038 |
◊ |
G |
x,y,z |
1_555 |
277 |
87 |
36245 |
2552.1 |
-27.2 |
0.097 |
2 |
6 |
0 |
0.872 |
2 |
|
E |
232 |
58 |
21031 |
◊ |
D |
x,y,z |
1_555 |
278 |
82 |
35730 |
2507.7 |
-27.8 |
0.089 |
2 |
6 |
0 |
0.872 |
3 |
|
B |
220 |
54 |
20999 |
◊ |
A |
x,y,z |
1_555 |
267 |
82 |
35889 |
2433.8 |
-30.6 |
0.036 |
1 |
5 |
0 |
0.872 |
4 |
|
K |
223 |
54 |
21151 |
◊ |
J |
x,y,z |
1_555 |
270 |
84 |
37838 |
2425.3 |
-31.6 |
0.032 |
2 |
5 |
0 |
0.872 |
Average: |
2479.8 |
-29.3 |
0.063 |
2 |
6 |
0 |
0.872 |
2 |
5 |
|
J |
100 |
28 |
37838 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
90 |
27 |
36245 |
857.5 |
-1.2 |
0.654 |
1 |
0 |
0 |
0.000 |
3 |
6 |
|
J |
64 |
21 |
37838 |
◊ |
E |
x-1,y,z |
1_455 |
71 |
18 |
21031 |
638.9 |
-5.3 |
0.228 |
1 |
0 |
0 |
0.000 |
4 |
7 |
|
C |
52 |
14 |
2648 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
73 |
24 |
21038 |
622.1 |
2.5 |
0.665 |
0 |
3 |
0 |
0.000 |
8 |
|
B |
71 |
23 |
20999 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
52 |
14 |
2624 |
614.3 |
0.6 |
0.615 |
6 |
2 |
0 |
0.000 |
9 |
|
L |
53 |
14 |
2682 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
74 |
24 |
21031 |
613.8 |
0.5 |
0.651 |
4 |
2 |
0 |
0.000 |
10 |
|
K |
72 |
24 |
21151 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
50 |
14 |
2635 |
600.9 |
0.0 |
0.640 |
4 |
2 |
0 |
0.000 |
Average: |
612.8 |
0.9 |
0.643 |
4 |
2 |
0 |
0.000 |
5 |
11 |
|
G |
62 |
18 |
36245 |
◊ |
D |
x,y,z |
1_555 |
59 |
16 |
35730 |
545.8 |
-0.4 |
0.671 |
0 |
4 |
0 |
0.000 |
12 |
|
J |
60 |
16 |
37838 |
◊ |
A |
x,y,z |
1_555 |
60 |
15 |
35889 |
528.4 |
-0.8 |
0.650 |
0 |
6 |
0 |
0.000 |
Average: |
537.1 |
-0.6 |
0.660 |
0 |
5 |
0 |
0.000 |
6 |
13 |
|
C |
59 |
16 |
2648 |
◊ |
B |
x,y,z |
1_555 |
55 |
17 |
20999 |
521.0 |
-4.9 |
0.319 |
1 |
0 |
0 |
0.000 |
14 |
|
I |
56 |
16 |
2624 |
◊ |
H |
x,y,z |
1_555 |
55 |
17 |
21038 |
519.0 |
-4.2 |
0.362 |
0 |
0 |
0 |
0.000 |
15 |
|
L |
58 |
16 |
2682 |
◊ |
K |
x,y,z |
1_555 |
56 |
17 |
21151 |
515.0 |
-4.9 |
0.346 |
0 |
0 |
0 |
0.000 |
16 |
|
F |
58 |
16 |
2635 |
◊ |
E |
x,y,z |
1_555 |
55 |
17 |
21031 |
507.8 |
-4.9 |
0.328 |
1 |
0 |
0 |
0.000 |
Average: |
515.7 |
-4.7 |
0.339 |
1 |
0 |
0 |
0.000 |
7 |
17 |
|
E |
46 |
15 |
21031 |
◊ |
A |
x,y,z |
1_555 |
53 |
20 |
35889 |
396.4 |
-1.9 |
0.614 |
1 |
0 |
0 |
0.000 |
8 |
18 |
|
H |
46 |
11 |
21038 |
◊ |
E |
x,y,z |
1_555 |
46 |
12 |
21031 |
368.9 |
-0.1 |
0.801 |
0 |
2 |
0 |
0.000 |
19 |
|
K |
44 |
11 |
21151 |
◊ |
B |
x,y,z |
1_555 |
45 |
11 |
20999 |
363.1 |
0.2 |
0.813 |
1 |
2 |
0 |
0.000 |
Average: |
366.0 |
0.0 |
0.807 |
1 |
2 |
0 |
0.000 |
9 |
20 |
|
K |
39 |
10 |
21151 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
37 |
9 |
21038 |
313.2 |
-6.7 |
0.177 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
34 |
7 |
20999 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
35 |
7 |
21031 |
298.9 |
-6.3 |
0.169 |
0 |
0 |
0 |
0.000 |
Average: |
306.0 |
-6.5 |
0.173 |
0 |
0 |
0 |
0.000 |
10 |
22 |
|
J |
41 |
14 |
37838 |
◊ |
D |
x-1,y,z |
1_455 |
36 |
14 |
35730 |
281.6 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
11 |
23 |
|
K |
28 |
11 |
21151 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
29 |
11 |
21031 |
267.8 |
-2.0 |
0.548 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
30 |
12 |
20999 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
29 |
12 |
21038 |
265.0 |
-2.0 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
266.4 |
-2.0 |
0.547 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
[Y70]E:502 |
19 |
1 |
424 |
f |
E |
x,y,z |
1_555 |
41 |
11 |
21031 |
237.0 |
-1.3 |
0.339 |
0 |
0 |
0 |
0.037 |
26 |
|
[Y70]H:502 |
19 |
1 |
423 |
f |
H |
x,y,z |
1_555 |
39 |
11 |
21038 |
236.8 |
-0.6 |
0.378 |
0 |
0 |
0 |
0.037 |
27 |
|
[Y70]B:502 |
19 |
1 |
423 |
f |
B |
x,y,z |
1_555 |
38 |
10 |
20999 |
236.7 |
-1.3 |
0.311 |
0 |
0 |
0 |
0.037 |
28 |
|
[Y70]K:502 |
19 |
1 |
424 |
f |
K |
x,y,z |
1_555 |
39 |
11 |
21151 |
236.4 |
-1.3 |
0.326 |
0 |
0 |
0 |
0.037 |
Average: |
236.7 |
-1.1 |
0.339 |
0 |
0 |
0 |
0.037 |
13 |
29 |
|
L |
19 |
8 |
2682 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
20999 |
216.7 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
18 |
8 |
2648 |
◊ |
K |
x,y,z |
1_555 |
24 |
7 |
21151 |
206.6 |
0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
31 |
|
I |
19 |
9 |
2624 |
◊ |
E |
x,y,z |
1_555 |
26 |
7 |
21031 |
203.9 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
32 |
|
F |
16 |
7 |
2635 |
◊ |
H |
x,y,z |
1_555 |
22 |
7 |
21038 |
196.5 |
0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
Average: |
205.9 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
14 |
33 |
|
J |
21 |
5 |
37838 |
◊ |
H |
x-1,y,z |
1_455 |
23 |
8 |
21038 |
206.2 |
-1.3 |
0.519 |
0 |
0 |
0 |
0.000 |
15 |
34 |
|
A |
26 |
7 |
35889 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
5 |
35889 |
206.0 |
-2.5 |
0.125 |
0 |
2 |
0 |
0.000 |
16 |
35 |
|
D |
25 |
10 |
35730 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
35889 |
204.0 |
-3.2 |
0.213 |
0 |
0 |
0 |
0.000 |
17 |
36 |
|
A |
27 |
9 |
35889 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
9 |
36245 |
173.8 |
1.3 |
0.795 |
0 |
0 |
0 |
0.000 |
18 |
37 |
|
K |
17 |
7 |
21151 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
17 |
6 |
20999 |
142.8 |
-0.8 |
0.601 |
0 |
0 |
0 |
0.000 |
19 |
38 |
|
J |
19 |
8 |
37838 |
◊ |
G |
x,y,z |
1_555 |
17 |
6 |
36245 |
125.8 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
20 |
39 |
|
A |
13 |
6 |
35889 |
◊ |
J |
-x,y-1/2,-z-1/2 |
3_544 |
13 |
3 |
37838 |
107.2 |
-0.8 |
0.460 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
[Y70]K:502 |
11 |
1 |
424 |
◊ |
L |
x,y,z |
1_555 |
18 |
6 |
2682 |
102.3 |
1.5 |
0.540 |
0 |
0 |
0 |
0.000 |
41 |
|
[Y70]E:502 |
11 |
1 |
424 |
◊ |
F |
x,y,z |
1_555 |
17 |
6 |
2635 |
101.1 |
1.5 |
0.532 |
0 |
0 |
0 |
0.000 |
42 |
|
[Y70]B:502 |
11 |
1 |
423 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
2648 |
100.6 |
1.4 |
0.516 |
0 |
0 |
0 |
0.000 |
43 |
|
[Y70]H:502 |
11 |
1 |
423 |
◊ |
I |
x,y,z |
1_555 |
19 |
6 |
2624 |
99.3 |
1.4 |
0.519 |
0 |
0 |
0 |
0.000 |
Average: |
100.8 |
1.4 |
0.527 |
0 |
0 |
0 |
0.000 |
22 |
44 |
|
C |
6 |
3 |
2648 |
◊ |
I |
x-1/2,-y-1/2,-z |
4_445 |
6 |
3 |
2624 |
62.7 |
-0.6 |
0.411 |
0 |
0 |
0 |
0.000 |
45 |
|
L |
4 |
2 |
2682 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
4 |
3 |
2635 |
57.2 |
-0.3 |
0.458 |
0 |
0 |
0 |
0.000 |
Average: |
59.9 |
-0.4 |
0.435 |
0 |
0 |
0 |
0.000 |
23 |
46 |
|
K |
8 |
4 |
21151 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
1 |
21031 |
59.5 |
-1.0 |
0.397 |
0 |
0 |
0 |
0.000 |
24 |
47 |
|
A |
4 |
2 |
35889 |
◊ |
D |
-x+1,y-1/2,-z-1/2 |
3_644 |
8 |
4 |
35730 |
55.3 |
-1.6 |
0.067 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
G |
5 |
2 |
36245 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
35730 |
39.1 |
0.0 |
0.439 |
0 |
0 |
0 |
0.000 |
26 |
49 |
|
J |
4 |
2 |
37838 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
20999 |
36.8 |
-0.9 |
0.254 |
0 |
0 |
0 |
0.000 |
27 |
50 |
|
G |
4 |
2 |
36245 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
35889 |
33.1 |
0.6 |
0.777 |
0 |
0 |
0 |
0.000 |
28 |
51 |
|
[ZN]I:201 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
21038 |
10.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.128 |
52 |
|
[ZN]C:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
20999 |
10.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.128 |
53 |
|
[ZN]F:201 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
21031 |
9.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.128 |
54 |
|
[ZN]L:201 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
5 |
2 |
21151 |
8.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
9.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.128 |
29 |
55 |
|
H |
2 |
2 |
21038 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
35889 |
8.5 |
0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
30 |
56 |
|
J |
1 |
1 |
37838 |
◊ |
[Y70]H:502 |
x-1,y,z |
1_455 |
1 |
1 |
423 |
3.9 |
0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
31 |
57 |
|
G |
1 |
1 |
36245 |
x |
G |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
36245 |
3.0 |
0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
32 |
58 |
|
L |
1 |
1 |
2682 |
f |
[ZN]E:501 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.100 |
|