| ## |
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 |
369 |
90 |
12765 |
◊ |
C |
x,y,z |
1_555 |
379 |
91 |
12786 |
3496.0 |
-46.8 |
0.013 |
47 |
14 |
0 |
0.991 |
2 |
|
B |
371 |
90 |
12695 |
◊ |
A |
x,y,z |
1_555 |
359 |
88 |
12614 |
3469.1 |
-45.8 |
0.012 |
48 |
17 |
0 |
0.991 |
3 |
|
J |
374 |
90 |
12844 |
◊ |
I |
x,y,z |
1_555 |
370 |
90 |
12800 |
3459.2 |
-47.9 |
0.006 |
47 |
20 |
0 |
0.991 |
4 |
|
F |
363 |
90 |
12766 |
◊ |
E |
x,y,z |
1_555 |
370 |
90 |
12698 |
3443.7 |
-44.7 |
0.010 |
49 |
17 |
0 |
0.991 |
5 |
|
H |
369 |
89 |
12723 |
◊ |
G |
x,y,z |
1_555 |
378 |
90 |
12759 |
3438.4 |
-47.1 |
0.008 |
48 |
18 |
0 |
0.991 |
| Average: |
3461.3 |
-46.5 |
0.010 |
48 |
17 |
0 |
0.991 |
| 2 |
6 |
|
B |
90 |
21 |
12695 |
◊ |
G |
x-1,y-1,z |
1_445 |
89 |
20 |
12759 |
770.1 |
3.3 |
0.898 |
4 |
14 |
0 |
0.000 |
7 |
|
J |
80 |
19 |
12844 |
◊ |
E |
x,y-1,z-1 |
1_544 |
79 |
20 |
12698 |
749.9 |
5.7 |
0.947 |
10 |
17 |
0 |
0.000 |
| Average: |
760.0 |
4.5 |
0.922 |
7 |
16 |
0 |
0.000 |
| 3 |
8 |
|
E |
72 |
21 |
12698 |
◊ |
D |
x,y,z |
1_555 |
69 |
20 |
12765 |
719.1 |
-8.0 |
0.188 |
6 |
0 |
0 |
0.109 |
9 |
|
I |
77 |
23 |
12800 |
◊ |
H |
x,y,z |
1_555 |
72 |
21 |
12723 |
718.5 |
-8.5 |
0.187 |
4 |
0 |
0 |
0.109 |
10 |
|
J |
75 |
22 |
12844 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
12614 |
714.5 |
-7.1 |
0.262 |
12 |
0 |
0 |
0.109 |
11 |
|
G |
74 |
22 |
12759 |
◊ |
F |
x,y,z |
1_555 |
74 |
22 |
12766 |
708.7 |
-7.0 |
0.246 |
5 |
0 |
0 |
0.109 |
12 |
|
C |
79 |
24 |
12786 |
◊ |
B |
x,y,z |
1_555 |
77 |
22 |
12695 |
707.8 |
-8.8 |
0.199 |
2 |
0 |
0 |
0.109 |
| Average: |
713.7 |
-7.9 |
0.217 |
6 |
0 |
0 |
0.109 |
| 4 |
13 |
|
C |
44 |
13 |
12786 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
12614 |
414.7 |
-3.0 |
0.439 |
5 |
4 |
0 |
0.138 |
14 |
|
F |
38 |
10 |
12766 |
◊ |
D |
x,y,z |
1_555 |
43 |
15 |
12765 |
401.0 |
-4.4 |
0.292 |
4 |
4 |
0 |
0.138 |
15 |
|
I |
42 |
14 |
12800 |
◊ |
G |
x,y,z |
1_555 |
40 |
11 |
12759 |
395.0 |
-4.7 |
0.259 |
3 |
2 |
0 |
0.138 |
16 |
|
E |
42 |
13 |
12698 |
◊ |
C |
x,y,z |
1_555 |
38 |
11 |
12786 |
394.0 |
-5.0 |
0.237 |
5 |
3 |
0 |
0.138 |
17 |
|
G |
41 |
12 |
12759 |
◊ |
E |
x,y,z |
1_555 |
40 |
12 |
12698 |
386.6 |
-3.4 |
0.325 |
4 |
6 |
0 |
0.138 |
18 |
|
J |
37 |
10 |
12844 |
◊ |
H |
x,y,z |
1_555 |
45 |
14 |
12723 |
384.9 |
-4.4 |
0.295 |
3 |
2 |
0 |
0.138 |
19 |
|
H |
37 |
10 |
12723 |
◊ |
F |
x,y,z |
1_555 |
43 |
14 |
12766 |
381.8 |
-4.4 |
0.279 |
5 |
3 |
0 |
0.138 |
20 |
|
I |
38 |
10 |
12800 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
12614 |
379.1 |
-4.7 |
0.264 |
3 |
3 |
0 |
0.138 |
21 |
|
D |
36 |
9 |
12765 |
◊ |
B |
x,y,z |
1_555 |
42 |
13 |
12695 |
367.8 |
-4.9 |
0.245 |
3 |
3 |
0 |
0.138 |
22 |
|
J |
38 |
12 |
12844 |
◊ |
B |
x,y,z |
1_555 |
34 |
9 |
12695 |
363.5 |
-4.8 |
0.222 |
4 |
4 |
0 |
0.138 |
| Average: |
386.8 |
-4.4 |
0.286 |
4 |
3 |
0 |
0.138 |
| 5 |
23 |
|
A |
47 |
19 |
12614 |
◊ |
J |
x-1,y,z |
1_455 |
40 |
15 |
12844 |
366.7 |
2.4 |
0.824 |
4 |
0 |
0 |
0.000 |
| 6 |
24 |
|
I |
42 |
15 |
12800 |
◊ |
D |
x,y,z-1 |
1_554 |
42 |
18 |
12765 |
363.0 |
1.0 |
0.777 |
2 |
1 |
0 |
0.000 |
| 7 |
25 |
|
A |
22 |
10 |
12614 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
18 |
7 |
12766 |
166.7 |
5.5 |
0.977 |
2 |
4 |
0 |
0.000 |
| 8 |
26 |
|
C |
13 |
7 |
12786 |
◊ |
F |
x-1,y,z |
1_455 |
15 |
6 |
12766 |
100.5 |
-1.4 |
0.419 |
0 |
0 |
0 |
0.000 |
| 9 |
27 |
|
I |
14 |
3 |
12800 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
9 |
4 |
12766 |
95.8 |
0.7 |
0.711 |
1 |
1 |
0 |
0.000 |
| 10 |
28 |
|
[ACT]E:251 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
13 |
6 |
12698 |
94.2 |
1.0 |
0.798 |
3 |
0 |
0 |
0.009 |
29 |
|
[ACT]G:251 |
4 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
12 |
6 |
12759 |
94.2 |
1.1 |
0.745 |
3 |
0 |
0 |
0.009 |
30 |
|
[ACT]D:251 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
12765 |
94.1 |
1.0 |
0.853 |
3 |
0 |
0 |
0.009 |
31 |
|
[ACT]C:251 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
12786 |
92.1 |
1.0 |
0.854 |
3 |
0 |
0 |
0.009 |
32 |
|
[ACT]I:251 |
4 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
13 |
6 |
12800 |
92.0 |
1.2 |
0.807 |
2 |
0 |
0 |
0.009 |
33 |
|
[ACT]A:1 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
12614 |
90.6 |
1.2 |
0.862 |
2 |
0 |
0 |
0.009 |
| Average: |
92.9 |
1.1 |
0.820 |
3 |
0 |
0 |
0.009 |
| 11 |
34 |
|
[ACT]F:251 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
12766 |
94.2 |
0.9 |
0.793 |
3 |
0 |
0 |
0.051 |
35 |
|
[ACT]H:251 |
4 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
12723 |
92.3 |
1.0 |
0.803 |
3 |
0 |
0 |
0.051 |
36 |
|
[ACT]B:251 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
12695 |
92.2 |
1.2 |
0.788 |
2 |
0 |
0 |
0.051 |
37 |
|
[ACT]J:251 |
4 |
1 |
182 |
f |
J |
x,y,z |
1_555 |
14 |
6 |
12844 |
91.6 |
1.1 |
0.805 |
4 |
0 |
0 |
0.051 |
| Average: |
92.6 |
1.0 |
0.797 |
3 |
0 |
0 |
0.051 |
| 12 |
38 |
|
J |
8 |
3 |
12844 |
◊ |
F |
x,y-1,z-1 |
1_544 |
14 |
5 |
12766 |
81.1 |
0.6 |
0.694 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
16 |
6 |
12614 |
◊ |
G |
x-1,y-1,z |
1_445 |
8 |
4 |
12759 |
80.7 |
0.3 |
0.662 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
7 |
3 |
12695 |
◊ |
H |
x-1,y-1,z |
1_445 |
10 |
4 |
12723 |
61.4 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
41 |
|
I |
12 |
5 |
12800 |
◊ |
E |
x,y-1,z-1 |
1_544 |
6 |
2 |
12698 |
59.4 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| Average: |
70.7 |
0.3 |
0.661 |
0 |
0 |
0 |
0.000 |
| 13 |
42 |
|
G |
10 |
4 |
12759 |
◊ |
F |
x,y,z-1 |
1_554 |
5 |
3 |
12766 |
69.3 |
0.4 |
0.543 |
0 |
0 |
0 |
0.000 |
| 14 |
43 |
|
D |
5 |
2 |
12765 |
◊ |
G |
x-1,y-1,z |
1_445 |
2 |
1 |
12759 |
43.1 |
1.0 |
0.730 |
1 |
3 |
0 |
0.000 |
44 |
|
B |
5 |
1 |
12695 |
◊ |
E |
x,y-1,z-1 |
1_544 |
3 |
1 |
12698 |
41.4 |
1.1 |
0.831 |
1 |
3 |
0 |
0.000 |
45 |
|
B |
5 |
1 |
12695 |
◊ |
E |
x-1,y-1,z |
1_445 |
5 |
1 |
12698 |
30.4 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
46 |
|
J |
1 |
1 |
12844 |
◊ |
C |
x,y-1,z-1 |
1_544 |
2 |
1 |
12786 |
6.9 |
-0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
| Average: |
30.5 |
0.6 |
0.672 |
1 |
2 |
0 |
0.000 |
| 15 |
47 |
|
[ACT]A:1 |
3 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
12695 |
42.0 |
-0.6 |
0.368 |
0 |
0 |
0 |
0.186 |
48 |
|
[ACT]I:251 |
3 |
1 |
183 |
f |
J |
x,y,z |
1_555 |
5 |
3 |
12844 |
41.0 |
-0.6 |
0.362 |
0 |
0 |
0 |
0.186 |
49 |
|
[ACT]C:251 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
12765 |
40.2 |
-0.6 |
0.384 |
0 |
0 |
0 |
0.186 |
50 |
|
[ACT]D:251 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
12786 |
38.3 |
-0.6 |
0.391 |
0 |
0 |
0 |
0.186 |
51 |
|
[ACT]E:251 |
3 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
12766 |
38.2 |
-0.6 |
0.383 |
0 |
0 |
0 |
0.186 |
52 |
|
[ACT]G:251 |
3 |
1 |
183 |
f |
H |
x,y,z |
1_555 |
5 |
3 |
12723 |
36.7 |
-0.4 |
0.412 |
0 |
0 |
0 |
0.186 |
| Average: |
39.4 |
-0.6 |
0.383 |
0 |
0 |
0 |
0.186 |
| 16 |
53 |
|
[ACT]J:251 |
3 |
1 |
182 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
12800 |
41.8 |
-0.6 |
0.375 |
0 |
0 |
0 |
0.009 |
54 |
|
[ACT]H:251 |
3 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
12759 |
40.6 |
-0.6 |
0.365 |
0 |
0 |
0 |
0.009 |
55 |
|
[ACT]B:251 |
3 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12614 |
39.6 |
-0.6 |
0.381 |
0 |
0 |
0 |
0.009 |
56 |
|
[ACT]F:251 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
12698 |
39.3 |
-0.6 |
0.378 |
0 |
0 |
0 |
0.009 |
| Average: |
40.3 |
-0.6 |
0.375 |
0 |
0 |
0 |
0.009 |
| 17 |
57 |
|
C |
3 |
3 |
12786 |
◊ |
H |
x-1,y,z |
1_455 |
5 |
3 |
12723 |
29.3 |
1.3 |
0.873 |
0 |
0 |
0 |
0.000 |
| 18 |
58 |
|
E |
1 |
1 |
12698 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
12723 |
7.2 |
-0.0 |
0.473 |
0 |
0 |
0 |
0.000 |
| 19 |
59 |
|
[ACT]B:251 |
1 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12786 |
2.8 |
-0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
60 |
|
[ACT]F:251 |
1 |
1 |
183 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
12759 |
2.4 |
-0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
61 |
|
[ACT]J:251 |
1 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12614 |
1.2 |
-0.0 |
0.509 |
0 |
0 |
0 |
0.000 |
62 |
|
[ACT]H:251 |
1 |
1 |
183 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
12800 |
0.9 |
-0.0 |
0.513 |
0 |
0 |
0 |
0.000 |
| Average: |
1.8 |
-0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
| 20 |
63 |
|
[ACT]A:1 |
1 |
1 |
182 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
12844 |
2.8 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
64 |
|
[ACT]C:251 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
12695 |
1.6 |
-0.1 |
0.539 |
0 |
0 |
0 |
0.000 |
65 |
|
[ACT]D:251 |
1 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
12698 |
1.5 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
66 |
|
[ACT]E:251 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12765 |
0.8 |
-0.0 |
0.521 |
0 |
0 |
0 |
0.000 |
| Average: |
1.7 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
| 21 |
67 |
|
D |
1 |
1 |
12765 |
◊ |
F |
x-1,y-1,z |
1_445 |
1 |
1 |
12766 |
1.7 |
0.1 |
0.753 |
0 |
0 |
0 |
0.000 |
| 22 |
68 |
|
[ACT]I:251 |
1 |
1 |
183 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12723 |
0.9 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
| 23 |
69 |
|
[ACT]G:251 |
1 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12766 |
0.6 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
|