| ## |
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 |
143 |
31 |
4869 |
◊ |
C |
x,y,z |
1_555 |
177 |
53 |
43320 |
1595.2 |
-11.7 |
0.227 |
25 |
9 |
0 |
0.279 |
2 |
|
B |
139 |
30 |
4868 |
◊ |
A |
x,y,z |
1_555 |
172 |
55 |
43166 |
1550.0 |
-10.4 |
0.265 |
26 |
7 |
0 |
0.279 |
| Average: |
1572.6 |
-11.0 |
0.246 |
26 |
8 |
0 |
0.279 |
| 2 |
3 |
|
A |
113 |
39 |
43166 |
◊ |
A |
-x,-y+1,z |
2_565 |
112 |
39 |
43166 |
1115.5 |
-9.3 |
0.310 |
10 |
0 |
0 |
0.000 |
| 3 |
4 |
|
C |
104 |
40 |
43320 |
◊ |
A |
x,y,z |
1_555 |
94 |
38 |
43166 |
916.0 |
-6.8 |
0.354 |
5 |
0 |
0 |
0.007 |
| 4 |
5 |
|
C |
54 |
12 |
43320 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
53 |
12 |
43166 |
466.5 |
0.1 |
0.757 |
7 |
3 |
0 |
0.000 |
| 5 |
6 |
|
[ATP]A:1103 |
29 |
1 |
623 |
f |
A |
x,y,z |
1_555 |
62 |
28 |
43166 |
424.2 |
1.3 |
0.742 |
9 |
0 |
0 |
0.043 |
7 |
|
[ATP]C:1103 |
29 |
1 |
622 |
f |
C |
x,y,z |
1_555 |
62 |
27 |
43320 |
419.1 |
0.9 |
0.722 |
11 |
0 |
0 |
0.043 |
| Average: |
421.7 |
1.1 |
0.732 |
10 |
0 |
0 |
0.043 |
| 6 |
8 |
|
C |
42 |
15 |
43320 |
x |
C |
-x-1/2,y-1/2,-z |
3_445 |
37 |
14 |
43320 |
296.3 |
2.4 |
0.847 |
0 |
0 |
0 |
0.000 |
| 7 |
9 |
|
D |
27 |
8 |
4869 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
4868 |
232.8 |
-1.1 |
0.432 |
1 |
0 |
0 |
0.000 |
| 8 |
10 |
|
C |
38 |
15 |
43320 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
26 |
12 |
43320 |
231.9 |
-1.4 |
0.520 |
4 |
1 |
0 |
0.000 |
| 9 |
11 |
|
A |
19 |
7 |
43166 |
◊ |
D |
-x-1/2,y-1/2,-z-1 |
3_444 |
19 |
6 |
4869 |
145.9 |
0.3 |
0.609 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
A |
19 |
7 |
43166 |
◊ |
C |
x,y,z-1 |
1_554 |
12 |
5 |
43320 |
127.1 |
0.0 |
0.664 |
1 |
1 |
0 |
0.000 |
| 11 |
13 |
|
A |
16 |
6 |
43166 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
3_444 |
9 |
3 |
43320 |
105.2 |
-0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
C |
11 |
6 |
43320 |
◊ |
A |
-x,-y+1,z |
2_565 |
7 |
4 |
43166 |
80.5 |
-0.8 |
0.368 |
0 |
0 |
0 |
0.000 |
| 13 |
15 |
|
C |
14 |
5 |
43320 |
◊ |
C |
-x,-y+1,z |
2_565 |
14 |
5 |
43320 |
77.4 |
-0.5 |
0.583 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
C |
10 |
4 |
43320 |
◊ |
A |
-x,-y,z |
2_555 |
8 |
3 |
43166 |
63.5 |
-1.4 |
0.297 |
0 |
0 |
0 |
0.000 |
| 15 |
17 |
|
[CA]C:1108 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
43320 |
59.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.108 |
| 16 |
18 |
|
[CA]A:1107 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
43166 |
56.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.147 |
19 |
|
[CA]C:1107 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
43320 |
55.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.147 |
| Average: |
56.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.147 |
| 17 |
20 |
|
[MG]C:1102 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
43320 |
46.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.067 |
21 |
|
[MG]A:1102 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
43166 |
45.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
45.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.067 |
| 18 |
22 |
|
[CA]A:1105 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
43166 |
46.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.105 |
| 19 |
23 |
|
[ATP]C:1103 |
5 |
1 |
622 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
4869 |
43.1 |
-0.8 |
0.488 |
0 |
0 |
0 |
0.010 |
24 |
|
[ATP]A:1103 |
5 |
1 |
623 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
4868 |
41.6 |
-0.8 |
0.502 |
0 |
0 |
0 |
0.010 |
| Average: |
42.4 |
-0.8 |
0.495 |
0 |
0 |
0 |
0.010 |
| 20 |
25 |
|
[CA]A:1106 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
43166 |
40.9 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.082 |
26 |
|
[CA]C:1109 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
43320 |
26.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
33.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.082 |
| 21 |
27 |
|
[MG]C:1101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
43320 |
38.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.050 |
28 |
|
[MG]A:1101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
43166 |
37.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.050 |
| Average: |
37.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.050 |
| 22 |
29 |
|
[ATP]C:1103 |
5 |
1 |
622 |
f |
[MG]C:1101 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.073 |
30 |
|
[ATP]A:1103 |
5 |
1 |
623 |
f |
[MG]A:1101 |
x,y,z |
1_555 |
1 |
1 |
98 |
38.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
38.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.073 |
| 23 |
31 |
|
B |
6 |
4 |
4868 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
43320 |
37.0 |
-0.2 |
0.417 |
0 |
0 |
0 |
0.000 |
| 24 |
32 |
|
[CA]A:1104 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
43166 |
35.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.066 |
33 |
|
[CA]C:1105 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
43320 |
33.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
34.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.066 |
| 25 |
34 |
|
[CA]C:1106 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
43320 |
34.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.065 |
| 26 |
35 |
|
A |
5 |
2 |
43166 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
4 |
3 |
43166 |
33.8 |
-0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
[ATP]C:1103 |
6 |
1 |
622 |
f |
[MG]C:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.055 |
37 |
|
[ATP]A:1103 |
4 |
1 |
623 |
f |
[MG]A:1102 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.055 |
| Average: |
33.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.055 |
| 28 |
38 |
|
[CA]C:1104 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
43166 |
30.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| 29 |
39 |
|
[CA]C:1104 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
43320 |
29.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.060 |
| 30 |
40 |
|
D |
3 |
1 |
4869 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
43166 |
20.5 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
C |
2 |
1 |
43320 |
◊ |
[CA]C:1109 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
16.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
C |
3 |
1 |
43320 |
◊ |
[CA]A:1104 |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
85 |
15.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[CA]C:1105 |
1 |
1 |
85 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
3 |
1 |
43166 |
11.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
13.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[CA]A:1105 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
4868 |
13.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.030 |
| 34 |
45 |
|
C |
4 |
3 |
43320 |
◊ |
C |
-x,-y,z |
2_555 |
4 |
3 |
43320 |
10.9 |
-0.3 |
0.524 |
0 |
0 |
0 |
0.000 |
| 35 |
46 |
|
[MG]A:1101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
4868 |
5.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
47 |
|
[MG]C:1101 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
4869 |
4.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
4.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 36 |
48 |
|
A |
1 |
1 |
43166 |
x |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
43166 |
0.4 |
0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
|