## |
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 |
|
A |
139 |
39 |
13938 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
147 |
39 |
13836 |
1332.4 |
-11.0 |
0.112 |
15 |
3 |
0 |
0.261 |
2 |
|
C |
146 |
39 |
13774 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
141 |
38 |
13867 |
1319.6 |
-11.4 |
0.116 |
15 |
3 |
0 |
0.261 |
Average: |
1326.0 |
-11.2 |
0.114 |
15 |
3 |
0 |
0.261 |
2 |
3 |
|
D |
90 |
25 |
13836 |
◊ |
A |
x,y,z |
1_555 |
94 |
27 |
13938 |
832.4 |
5.4 |
0.799 |
12 |
10 |
0 |
0.000 |
4 |
|
C |
83 |
23 |
13774 |
◊ |
B |
x,y,z |
1_555 |
87 |
26 |
13867 |
816.0 |
5.3 |
0.821 |
12 |
10 |
0 |
0.000 |
Average: |
824.2 |
5.3 |
0.810 |
12 |
10 |
0 |
0.000 |
3 |
5 |
|
C |
58 |
13 |
13774 |
◊ |
A |
x,y,z |
1_555 |
65 |
18 |
13938 |
567.3 |
-3.2 |
0.338 |
10 |
8 |
0 |
0.000 |
6 |
|
D |
58 |
13 |
13836 |
◊ |
B |
x,y,z |
1_555 |
64 |
17 |
13867 |
555.7 |
-3.1 |
0.331 |
9 |
7 |
0 |
0.000 |
Average: |
561.5 |
-3.2 |
0.335 |
10 |
8 |
0 |
0.000 |
4 |
7 |
|
[ATP]D:301 |
26 |
1 |
611 |
f |
D |
x,y,z |
1_555 |
49 |
17 |
13836 |
331.4 |
-0.8 |
0.523 |
5 |
0 |
0 |
0.069 |
8 |
|
[ATP]C:301 |
24 |
1 |
604 |
f |
C |
x,y,z |
1_555 |
46 |
15 |
13774 |
325.7 |
-2.2 |
0.462 |
6 |
0 |
0 |
0.069 |
Average: |
328.6 |
-1.5 |
0.492 |
6 |
0 |
0 |
0.069 |
5 |
9 |
|
[ATP]B:301 |
24 |
1 |
616 |
f |
B |
x,y,z |
1_555 |
43 |
16 |
13867 |
325.5 |
-3.1 |
0.408 |
4 |
0 |
0 |
0.070 |
10 |
|
[ATP]A:301 |
23 |
1 |
607 |
f |
A |
x,y,z |
1_555 |
46 |
16 |
13938 |
322.8 |
-2.6 |
0.412 |
5 |
0 |
0 |
0.070 |
Average: |
324.1 |
-2.9 |
0.410 |
5 |
0 |
0 |
0.070 |
6 |
11 |
|
A |
19 |
8 |
13938 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
7 |
13774 |
194.2 |
2.4 |
0.815 |
0 |
1 |
0 |
0.000 |
7 |
12 |
|
B |
7 |
3 |
13867 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
13836 |
78.9 |
2.6 |
0.902 |
2 |
2 |
0 |
0.000 |
8 |
13 |
|
[ATP]A:301 |
7 |
1 |
607 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
5 |
13836 |
73.1 |
-3.2 |
0.282 |
1 |
0 |
0 |
0.052 |
14 |
|
C |
9 |
4 |
13774 |
◊ |
[ATP]B:301 |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
1 |
616 |
64.9 |
-3.0 |
0.318 |
1 |
0 |
0 |
0.052 |
Average: |
69.0 |
-3.1 |
0.300 |
1 |
0 |
0 |
0.052 |
9 |
15 |
|
D |
12 |
6 |
13836 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
13867 |
67.0 |
1.6 |
0.810 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
C |
8 |
2 |
13774 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
13836 |
61.3 |
0.7 |
0.668 |
1 |
1 |
0 |
0.000 |
11 |
17 |
|
A |
8 |
3 |
13938 |
◊ |
[ATP]D:301 |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
1 |
611 |
60.6 |
-2.4 |
0.410 |
2 |
0 |
0 |
0.048 |
18 |
|
[ATP]C:301 |
6 |
1 |
604 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
3 |
13867 |
54.4 |
-2.0 |
0.403 |
1 |
0 |
0 |
0.048 |
Average: |
57.5 |
-2.2 |
0.406 |
2 |
0 |
0 |
0.048 |
12 |
19 |
|
D |
5 |
3 |
13836 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
13774 |
57.1 |
0.3 |
0.488 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
B |
7 |
2 |
13867 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
2 |
13867 |
56.7 |
0.9 |
0.752 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
8 |
3 |
13938 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
3 |
13938 |
51.8 |
0.9 |
0.747 |
0 |
0 |
0 |
0.000 |
Average: |
54.2 |
0.9 |
0.750 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13867 |
55.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.263 |
23 |
|
[MG]D:303 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
13836 |
55.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.263 |
24 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
13938 |
54.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.263 |
25 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
13774 |
54.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.263 |
Average: |
55.0 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.263 |
15 |
26 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
13836 |
55.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.263 |
27 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
13867 |
55.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.263 |
28 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
13938 |
54.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.263 |
29 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
13774 |
53.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.263 |
Average: |
54.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.263 |
16 |
30 |
|
B |
2 |
1 |
13867 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
13938 |
3.2 |
0.1 |
0.717 |
0 |
0 |
0 |
0.000 |
|