## |
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 |
|
C |
126 |
31 |
16242 |
◊ |
C |
-x+2,y,-z-1/2 |
3_754 |
128 |
32 |
16242 |
1110.4 |
-5.5 |
0.564 |
12 |
0 |
0 |
0.013 |
2 |
|
D |
126 |
32 |
15815 |
◊ |
B |
-x+3/2,-y-1/2,z-1/2 |
6_644 |
118 |
31 |
16174 |
1078.2 |
-5.8 |
0.554 |
11 |
0 |
0 |
0.013 |
3 |
|
A |
117 |
33 |
15734 |
◊ |
A |
-x+1,y,-z-1/2 |
3_654 |
115 |
33 |
15734 |
1059.8 |
-7.9 |
0.387 |
10 |
0 |
0 |
0.013 |
Average: |
1082.8 |
-6.4 |
0.502 |
11 |
0 |
0 |
0.013 |
2 |
4 |
|
D |
76 |
25 |
15815 |
◊ |
B |
x,y,z |
1_555 |
78 |
24 |
16174 |
778.0 |
-15.0 |
0.017 |
6 |
0 |
1 |
0.176 |
5 |
|
C |
75 |
22 |
16242 |
◊ |
C |
x,-y,-z |
4_555 |
75 |
22 |
16242 |
758.2 |
-9.2 |
0.148 |
8 |
2 |
0 |
0.176 |
6 |
|
A |
58 |
19 |
15734 |
◊ |
A |
x,-y,-z |
4_555 |
58 |
19 |
15734 |
579.1 |
-7.6 |
0.148 |
7 |
0 |
0 |
0.176 |
Average: |
705.1 |
-10.6 |
0.104 |
7 |
1 |
0 |
0.176 |
3 |
7 |
|
[ATP]A:501 |
30 |
1 |
652 |
f |
A |
x,y,z |
1_555 |
71 |
24 |
15734 |
466.5 |
-3.4 |
0.562 |
17 |
0 |
0 |
0.171 |
8 |
|
[ATP]D:501 |
31 |
1 |
646 |
f |
D |
x,y,z |
1_555 |
76 |
24 |
15815 |
462.8 |
-2.9 |
0.569 |
17 |
0 |
0 |
0.171 |
9 |
|
[ATP]B:501 |
31 |
1 |
650 |
f |
B |
x,y,z |
1_555 |
72 |
23 |
16174 |
462.3 |
-3.5 |
0.574 |
16 |
0 |
0 |
0.171 |
10 |
|
[ATP]C:501 |
31 |
1 |
644 |
f |
C |
x,y,z |
1_555 |
70 |
23 |
16242 |
455.7 |
-2.9 |
0.574 |
17 |
0 |
0 |
0.171 |
Average: |
461.8 |
-3.2 |
0.570 |
17 |
0 |
0 |
0.171 |
4 |
11 |
|
B |
42 |
12 |
16174 |
◊ |
A |
x,y,z |
1_555 |
52 |
17 |
15734 |
393.7 |
-1.4 |
0.618 |
5 |
0 |
0 |
0.000 |
5 |
12 |
|
D |
43 |
14 |
15815 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
34 |
10 |
16242 |
348.6 |
-2.7 |
0.435 |
5 |
0 |
0 |
0.000 |
13 |
|
A |
42 |
14 |
15734 |
◊ |
B |
x-1/2,-y-1/2,-z |
8_445 |
29 |
9 |
16174 |
322.9 |
-1.9 |
0.511 |
4 |
0 |
0 |
0.000 |
Average: |
335.7 |
-2.3 |
0.473 |
5 |
0 |
0 |
0.000 |
6 |
14 |
|
C |
32 |
9 |
16242 |
◊ |
B |
x,y,z |
1_555 |
43 |
14 |
16174 |
312.7 |
-2.7 |
0.435 |
4 |
0 |
0 |
0.000 |
7 |
15 |
|
A |
27 |
10 |
15734 |
◊ |
D |
x-1/2,-y-1/2,-z |
8_445 |
33 |
9 |
15815 |
255.2 |
-0.9 |
0.596 |
3 |
1 |
0 |
0.000 |
8 |
16 |
|
B |
23 |
7 |
16174 |
◊ |
A |
x,-y,-z |
4_555 |
26 |
8 |
15734 |
199.7 |
-0.3 |
0.653 |
1 |
0 |
0 |
0.000 |
17 |
|
D |
21 |
7 |
15815 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
16242 |
180.6 |
-1.5 |
0.449 |
0 |
0 |
0 |
0.000 |
Average: |
190.2 |
-0.9 |
0.551 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
D |
13 |
4 |
15815 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
18 |
4 |
16242 |
127.1 |
0.2 |
0.663 |
2 |
1 |
0 |
0.000 |
10 |
19 |
|
[SO4]D:701 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
15815 |
126.9 |
-17.1 |
0.798 |
4 |
0 |
0 |
0.153 |
11 |
20 |
|
[SO4]B:701 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
16174 |
122.0 |
-17.1 |
0.802 |
4 |
0 |
0 |
0.153 |
12 |
21 |
|
[SO4]C:701 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
16242 |
120.9 |
-15.9 |
0.828 |
4 |
0 |
0 |
0.043 |
13 |
22 |
|
[SO4]A:701 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
15734 |
114.4 |
-15.9 |
0.798 |
4 |
0 |
0 |
0.042 |
14 |
23 |
|
[SO4]D:702 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
15815 |
92.0 |
-14.7 |
0.744 |
4 |
0 |
0 |
0.134 |
15 |
24 |
|
[CA]C:601 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
16242 |
47.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.113 |
25 |
|
[CA]B:601 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
16174 |
46.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.113 |
26 |
|
[CA]D:601 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
15815 |
45.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.113 |
27 |
|
[CA]A:601 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
15734 |
43.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
45.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.113 |
16 |
28 |
|
[ATP]B:501 |
7 |
1 |
650 |
f |
[CA]B:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
30.8 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.100 |
29 |
|
[ATP]D:501 |
4 |
1 |
646 |
f |
[CA]D:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
30.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.100 |
30 |
|
[ATP]A:501 |
4 |
1 |
652 |
f |
[CA]A:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
30.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.100 |
31 |
|
[ATP]C:501 |
4 |
1 |
644 |
f |
[CA]C:601 |
x,y,z |
1_555 |
1 |
1 |
85 |
28.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
30.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.100 |
|