## |
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 |
147 |
39 |
11814 |
◊ |
C |
x,y,z |
1_555 |
140 |
42 |
11928 |
1367.9 |
-12.5 |
0.271 |
8 |
3 |
0 |
0.312 |
2 |
|
B |
140 |
42 |
11832 |
◊ |
A |
x,y,z |
1_555 |
142 |
37 |
11843 |
1348.6 |
-13.6 |
0.216 |
5 |
4 |
0 |
0.312 |
Average: |
1358.3 |
-13.0 |
0.243 |
7 |
4 |
0 |
0.312 |
2 |
3 |
|
F |
98 |
24 |
5521 |
◊ |
E |
x,y,z |
1_555 |
112 |
24 |
5481 |
1047.4 |
-17.2 |
0.694 |
70 |
0 |
0 |
1.000 |
3 |
4 |
|
[ATP]B:500 |
29 |
1 |
606 |
f |
B |
x,y,z |
1_555 |
55 |
24 |
11832 |
350.7 |
-3.5 |
0.428 |
10 |
0 |
0 |
0.309 |
5 |
|
[ATP]A:500 |
29 |
1 |
597 |
f |
A |
x,y,z |
1_555 |
49 |
21 |
11843 |
342.9 |
-4.1 |
0.365 |
11 |
0 |
0 |
0.309 |
6 |
|
[ATP]C:500 |
29 |
1 |
604 |
f |
C |
x,y,z |
1_555 |
50 |
22 |
11928 |
342.9 |
-3.8 |
0.418 |
11 |
0 |
0 |
0.309 |
Average: |
345.5 |
-3.8 |
0.403 |
11 |
0 |
0 |
0.309 |
4 |
7 |
|
[ATP]D:500 |
28 |
1 |
602 |
f |
D |
x,y,z |
1_555 |
53 |
22 |
11814 |
345.4 |
-2.9 |
0.449 |
10 |
0 |
0 |
0.139 |
5 |
8 |
|
A |
32 |
7 |
11843 |
◊ |
D |
x,y-1,z+1 |
1_546 |
32 |
9 |
11814 |
313.7 |
0.0 |
0.528 |
5 |
5 |
0 |
0.000 |
9 |
|
B |
33 |
9 |
11832 |
◊ |
C |
x-1,y,z+1 |
1_456 |
32 |
7 |
11928 |
310.2 |
-0.3 |
0.550 |
7 |
5 |
0 |
0.000 |
Average: |
311.9 |
-0.2 |
0.539 |
6 |
5 |
0 |
0.000 |
6 |
10 |
|
B |
37 |
11 |
11832 |
◊ |
D |
x-1,y-1,z+1 |
1_446 |
36 |
11 |
11814 |
304.0 |
1.7 |
0.838 |
3 |
2 |
0 |
0.000 |
7 |
11 |
|
A |
30 |
8 |
11843 |
◊ |
D |
x,y-1,z |
1_545 |
32 |
8 |
11814 |
275.0 |
0.6 |
0.672 |
4 |
7 |
0 |
0.000 |
12 |
|
B |
30 |
8 |
11832 |
◊ |
C |
x-1,y,z |
1_455 |
27 |
8 |
11928 |
259.0 |
0.4 |
0.642 |
4 |
7 |
0 |
0.000 |
Average: |
267.0 |
0.5 |
0.657 |
4 |
7 |
0 |
0.000 |
8 |
13 |
|
E |
21 |
5 |
5481 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
11843 |
155.6 |
-3.2 |
0.534 |
1 |
0 |
0 |
0.050 |
9 |
14 |
|
F |
19 |
4 |
5521 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
11928 |
153.3 |
-3.1 |
0.466 |
1 |
0 |
0 |
0.003 |
10 |
15 |
|
[ATP]D:500 |
17 |
1 |
602 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
11928 |
145.3 |
0.7 |
0.666 |
3 |
0 |
0 |
0.036 |
16 |
|
[ATP]B:500 |
17 |
1 |
606 |
◊ |
A |
x,y,z |
1_555 |
25 |
7 |
11843 |
144.2 |
0.3 |
0.657 |
4 |
0 |
0 |
0.036 |
17 |
|
[ATP]A:500 |
17 |
1 |
597 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
11832 |
139.7 |
-0.1 |
0.614 |
1 |
0 |
0 |
0.036 |
18 |
|
[ATP]C:500 |
17 |
1 |
604 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
11814 |
135.5 |
1.1 |
0.720 |
3 |
0 |
0 |
0.036 |
Average: |
141.2 |
0.5 |
0.665 |
3 |
0 |
0 |
0.036 |
11 |
19 |
|
F |
18 |
4 |
5521 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
11832 |
140.6 |
-1.9 |
0.546 |
1 |
0 |
0 |
0.021 |
12 |
20 |
|
E |
18 |
3 |
5481 |
x |
E |
x,y,z-1 |
1_554 |
17 |
2 |
5481 |
140.1 |
-2.1 |
0.580 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
E |
15 |
4 |
5481 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
11928 |
139.9 |
-0.8 |
0.675 |
4 |
0 |
0 |
0.002 |
14 |
22 |
|
F |
17 |
4 |
5521 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
11814 |
139.2 |
-0.2 |
0.692 |
3 |
0 |
0 |
0.001 |
15 |
23 |
|
F |
13 |
3 |
5521 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
11843 |
137.6 |
-0.1 |
0.667 |
4 |
0 |
0 |
0.026 |
16 |
24 |
|
E |
20 |
5 |
5481 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
11814 |
133.7 |
-2.3 |
0.580 |
1 |
0 |
0 |
0.002 |
17 |
25 |
|
E |
17 |
4 |
5481 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
11832 |
125.0 |
-0.1 |
0.734 |
2 |
0 |
0 |
0.009 |
18 |
26 |
|
F |
17 |
2 |
5521 |
x |
F |
x,y,z-1 |
1_554 |
13 |
1 |
5521 |
120.5 |
4.1 |
0.899 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11843 |
44.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.244 |
28 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11832 |
41.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.244 |
29 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
11814 |
40.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.244 |
30 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
11928 |
40.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.244 |
Average: |
41.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.244 |
20 |
31 |
|
A |
5 |
2 |
11843 |
◊ |
D |
x-1,y-1,z+1 |
1_446 |
4 |
2 |
11814 |
41.0 |
1.1 |
0.838 |
1 |
3 |
0 |
0.000 |
32 |
|
B |
6 |
3 |
11832 |
◊ |
C |
x-1,y-1,z+1 |
1_446 |
5 |
2 |
11928 |
40.9 |
0.9 |
0.800 |
1 |
2 |
0 |
0.000 |
Average: |
41.0 |
1.0 |
0.819 |
1 |
3 |
0 |
0.000 |
21 |
33 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
[ATP]A:500 |
x,y,z |
1_555 |
5 |
1 |
597 |
30.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.120 |
34 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
[ATP]C:500 |
x,y,z |
1_555 |
3 |
1 |
604 |
29.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.120 |
35 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
[ATP]D:500 |
x,y,z |
1_555 |
4 |
1 |
602 |
27.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.120 |
36 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
[ATP]B:500 |
x,y,z |
1_555 |
4 |
1 |
606 |
27.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
28.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.120 |
22 |
37 |
|
F |
3 |
1 |
5521 |
◊ |
E |
x,y,z-1 |
1_554 |
2 |
1 |
5481 |
21.8 |
-0.8 |
0.384 |
1 |
0 |
0 |
0.000 |
23 |
38 |
|
A |
4 |
1 |
11843 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
1 |
11928 |
20.7 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
1 |
1 |
11843 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
11928 |
1.4 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
Average: |
11.0 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
E |
4 |
1 |
5481 |
◊ |
F |
x,y,z-1 |
1_554 |
4 |
1 |
5521 |
12.3 |
-0.1 |
0.538 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
B |
1 |
1 |
11832 |
◊ |
D |
x,y-1,z+1 |
1_546 |
1 |
1 |
11814 |
5.7 |
0.3 |
0.849 |
0 |
0 |
0 |
0.000 |
42 |
|
B |
1 |
1 |
11832 |
◊ |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
11814 |
0.6 |
0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
Average: |
3.2 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
[MG]B:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11843 |
4.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.008 |
44 |
|
[MG]D:501 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11928 |
3.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.008 |
45 |
|
[MG]C:501 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11814 |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
3.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.008 |
27 |
46 |
|
[ATP]A:500 |
1 |
1 |
597 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
5481 |
0.9 |
-0.0 |
0.393 |
0 |
0 |
0 |
0.000 |
|