| ## |
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 |
|
B |
307 |
81 |
17737 |
◊ |
B |
-x,y,-z-1 |
2_554 |
309 |
81 |
17737 |
2982.3 |
-39.0 |
0.064 |
29 |
24 |
0 |
0.566 |
2 |
|
A |
303 |
79 |
17877 |
◊ |
A |
-x-1,y,-z |
2_455 |
300 |
79 |
17877 |
2974.9 |
-38.2 |
0.055 |
33 |
26 |
0 |
0.566 |
3 |
|
C |
300 |
79 |
17692 |
◊ |
C |
-x,y,-z-1 |
2_554 |
299 |
79 |
17692 |
2969.0 |
-36.8 |
0.063 |
33 |
24 |
0 |
0.566 |
4 |
|
D |
297 |
78 |
17586 |
◊ |
D |
-x-1,y,-z |
2_455 |
293 |
78 |
17586 |
2945.6 |
-37.5 |
0.065 |
35 |
24 |
0 |
0.566 |
| Average: |
2968.0 |
-37.9 |
0.062 |
33 |
25 |
0 |
0.566 |
| 2 |
5 |
|
D |
178 |
47 |
17586 |
◊ |
A |
x,y,z |
1_555 |
180 |
48 |
17877 |
1688.7 |
-31.6 |
0.018 |
10 |
3 |
0 |
0.464 |
6 |
|
C |
180 |
48 |
17692 |
◊ |
B |
x,y,z |
1_555 |
173 |
50 |
17737 |
1682.7 |
-30.6 |
0.023 |
7 |
4 |
0 |
0.464 |
| Average: |
1685.7 |
-31.1 |
0.020 |
9 |
4 |
0 |
0.464 |
| 3 |
7 |
|
C |
71 |
19 |
17692 |
◊ |
A |
x,y,z |
1_555 |
71 |
16 |
17877 |
663.9 |
0.1 |
0.778 |
5 |
7 |
0 |
0.000 |
| 4 |
8 |
|
D |
45 |
11 |
17586 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
44 |
14 |
17737 |
382.3 |
-1.4 |
0.649 |
2 |
0 |
0 |
0.000 |
| 5 |
9 |
|
D |
40 |
11 |
17586 |
◊ |
A |
-x-1,y,-z |
2_455 |
47 |
12 |
17877 |
338.4 |
-5.0 |
0.343 |
1 |
0 |
0 |
0.038 |
10 |
|
C |
40 |
11 |
17692 |
◊ |
B |
-x,y,-z-1 |
2_554 |
36 |
12 |
17737 |
286.5 |
-5.0 |
0.306 |
0 |
0 |
0 |
0.038 |
| Average: |
312.5 |
-5.0 |
0.325 |
1 |
0 |
0 |
0.038 |
| 6 |
11 |
|
[ADP]A:401 |
27 |
1 |
557 |
f |
A |
x,y,z |
1_555 |
46 |
21 |
17877 |
311.4 |
-4.2 |
0.635 |
15 |
0 |
0 |
0.277 |
12 |
|
[ADP]D:401 |
26 |
1 |
552 |
f |
D |
x,y,z |
1_555 |
49 |
22 |
17586 |
307.9 |
-4.6 |
0.605 |
13 |
0 |
0 |
0.277 |
13 |
|
[ADP]C:401 |
25 |
1 |
554 |
f |
C |
x,y,z |
1_555 |
50 |
21 |
17692 |
301.5 |
-4.6 |
0.601 |
14 |
0 |
0 |
0.277 |
14 |
|
[ADP]B:401 |
26 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
17737 |
295.1 |
-4.4 |
0.593 |
12 |
0 |
0 |
0.277 |
| Average: |
304.0 |
-4.5 |
0.609 |
14 |
0 |
0 |
0.277 |
| 7 |
15 |
|
B |
24 |
8 |
17737 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
7 |
17877 |
172.0 |
-1.3 |
0.541 |
0 |
1 |
0 |
0.000 |
| 8 |
16 |
|
C |
19 |
4 |
17692 |
◊ |
B |
-x,y-1,-z-1 |
2_544 |
19 |
4 |
17737 |
170.5 |
1.0 |
0.770 |
4 |
2 |
0 |
0.000 |
17 |
|
A |
19 |
4 |
17877 |
◊ |
D |
-x-1,y-1,-z |
2_445 |
19 |
4 |
17586 |
169.4 |
1.1 |
0.781 |
5 |
2 |
0 |
0.000 |
| Average: |
170.0 |
1.0 |
0.775 |
5 |
2 |
0 |
0.000 |
| 9 |
18 |
|
[ADP]B:401 |
14 |
1 |
552 |
◊ |
B |
-x,y,-z-1 |
2_554 |
16 |
6 |
17737 |
147.2 |
-1.0 |
0.681 |
1 |
0 |
0 |
0.034 |
19 |
|
[ADP]C:401 |
17 |
1 |
554 |
◊ |
C |
-x,y,-z-1 |
2_554 |
17 |
6 |
17692 |
145.9 |
-0.5 |
0.749 |
1 |
0 |
0 |
0.034 |
20 |
|
[ADP]D:401 |
14 |
1 |
552 |
◊ |
D |
-x-1,y,-z |
2_455 |
18 |
6 |
17586 |
142.4 |
-0.3 |
0.739 |
1 |
0 |
0 |
0.034 |
21 |
|
[ADP]A:401 |
14 |
1 |
557 |
◊ |
A |
-x-1,y,-z |
2_455 |
16 |
6 |
17877 |
136.3 |
-0.9 |
0.705 |
2 |
0 |
0 |
0.034 |
| Average: |
142.9 |
-0.7 |
0.719 |
1 |
0 |
0 |
0.034 |
| 10 |
22 |
|
C |
10 |
2 |
17692 |
◊ |
A |
x,y,z-1 |
1_554 |
10 |
3 |
17877 |
77.7 |
0.8 |
0.765 |
0 |
0 |
0 |
0.000 |
| 11 |
23 |
|
B |
5 |
1 |
17737 |
◊ |
B |
-x-1,y,-z-1 |
2_454 |
5 |
1 |
17737 |
54.1 |
0.9 |
0.830 |
2 |
2 |
0 |
0.000 |
| 12 |
24 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17877 |
48.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.161 |
25 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
17586 |
45.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.161 |
26 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17692 |
43.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.161 |
27 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17737 |
39.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.161 |
| Average: |
44.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.161 |
| 13 |
28 |
|
B |
8 |
6 |
17737 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
17877 |
41.1 |
0.5 |
0.732 |
0 |
0 |
0 |
0.000 |
| 14 |
29 |
|
[ZN]B:404 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
8 |
4 |
17737 |
39.3 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.430 |
30 |
|
[ZN]A:404 |
1 |
1 |
98 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
17877 |
39.0 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.430 |
31 |
|
[ZN]D:404 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
6 |
4 |
17586 |
38.9 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.430 |
32 |
|
[ZN]C:404 |
1 |
1 |
98 |
x |
C |
x,y,z |
1_555 |
7 |
4 |
17692 |
38.5 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.430 |
| Average: |
38.9 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.430 |
| 15 |
33 |
|
[ZN]A:404 |
1 |
1 |
98 |
f |
[ZN]A:404 |
-x-1,y,-z |
2_455 |
1 |
1 |
98 |
39.1 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.135 |
| 16 |
34 |
|
[ZN]C:404 |
1 |
1 |
98 |
f |
[ZN]C:404 |
-x,y,-z-1 |
2_554 |
1 |
1 |
98 |
38.6 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.135 |
| 17 |
35 |
|
[ZN]B:404 |
1 |
1 |
98 |
f |
[ZN]B:404 |
-x,y,-z-1 |
2_554 |
1 |
1 |
98 |
38.5 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.136 |
| 18 |
36 |
|
[ZN]D:404 |
1 |
1 |
98 |
f |
[ZN]D:404 |
-x-1,y,-z |
2_455 |
1 |
1 |
98 |
38.2 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.134 |
| 19 |
37 |
|
D |
5 |
2 |
17586 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
17737 |
37.3 |
1.0 |
0.831 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
C |
5 |
2 |
17692 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
17737 |
34.5 |
-1.1 |
0.278 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
3 |
2 |
17877 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
17586 |
32.0 |
-1.0 |
0.208 |
0 |
0 |
0 |
0.000 |
| Average: |
33.3 |
-1.1 |
0.243 |
0 |
0 |
0 |
0.000 |
| 21 |
40 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
[ADP]B:401 |
x,y,z |
1_555 |
4 |
1 |
552 |
29.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.113 |
41 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
[ADP]A:401 |
x,y,z |
1_555 |
4 |
1 |
557 |
27.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.113 |
42 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
[ADP]D:401 |
x,y,z |
1_555 |
4 |
1 |
552 |
27.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.113 |
43 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
[ADP]C:401 |
x,y,z |
1_555 |
4 |
1 |
554 |
27.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.113 |
| Average: |
28.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.113 |
| 22 |
44 |
|
B |
5 |
3 |
17737 |
◊ |
A |
-x-1,y,-z-1 |
2_454 |
2 |
1 |
17877 |
25.6 |
0.9 |
0.788 |
0 |
1 |
0 |
0.000 |
| 23 |
45 |
|
C |
1 |
1 |
17692 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
17586 |
17.0 |
0.4 |
0.394 |
0 |
0 |
0 |
0.000 |
| 24 |
46 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
B |
-x,y,-z-1 |
2_554 |
2 |
1 |
17737 |
12.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.019 |
47 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
C |
-x,y,-z-1 |
2_554 |
2 |
1 |
17692 |
9.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.019 |
48 |
|
[MG]D:403 |
1 |
1 |
98 |
◊ |
D |
-x-1,y,-z |
2_455 |
2 |
1 |
17586 |
7.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.019 |
49 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
A |
-x-1,y,-z |
2_455 |
2 |
1 |
17877 |
4.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
8.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 25 |
50 |
|
B |
1 |
1 |
17737 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
1 |
17586 |
4.6 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
|