## |
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 |
305 |
88 |
21787 |
◊ |
A |
x,y,z |
1_555 |
302 |
86 |
21635 |
3046.1 |
-10.7 |
0.327 |
31 |
0 |
0 |
0.286 |
2 |
|
D |
305 |
87 |
21532 |
◊ |
C |
x,y,z |
1_555 |
308 |
86 |
21808 |
3004.1 |
-10.8 |
0.346 |
29 |
0 |
0 |
0.286 |
Average: |
3025.1 |
-10.8 |
0.336 |
30 |
0 |
0 |
0.286 |
2 |
3 |
|
D |
144 |
42 |
21532 |
◊ |
A |
x,y,z |
1_555 |
143 |
43 |
21635 |
1246.1 |
-17.0 |
0.034 |
4 |
0 |
0 |
0.210 |
4 |
|
C |
144 |
43 |
21808 |
◊ |
B |
x,y,z |
1_555 |
142 |
42 |
21787 |
1244.6 |
-17.1 |
0.032 |
4 |
0 |
0 |
0.210 |
Average: |
1245.4 |
-17.0 |
0.033 |
4 |
0 |
0 |
0.210 |
3 |
5 |
|
B |
82 |
19 |
21787 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
100 |
32 |
21808 |
782.0 |
-1.7 |
0.466 |
8 |
3 |
0 |
0.000 |
6 |
|
A |
103 |
33 |
21635 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
82 |
19 |
21532 |
781.5 |
-1.7 |
0.473 |
8 |
3 |
0 |
0.000 |
Average: |
781.7 |
-1.7 |
0.469 |
8 |
3 |
0 |
0.000 |
4 |
7 |
|
C |
78 |
18 |
21808 |
◊ |
A |
x,y,z |
1_555 |
78 |
17 |
21635 |
762.0 |
-10.0 |
0.082 |
5 |
0 |
0 |
0.071 |
8 |
|
D |
60 |
12 |
21532 |
◊ |
B |
x,y,z |
1_555 |
64 |
13 |
21787 |
556.1 |
-4.3 |
0.294 |
4 |
0 |
0 |
0.071 |
Average: |
659.0 |
-7.1 |
0.188 |
5 |
0 |
0 |
0.071 |
5 |
9 |
|
[ATP]A:1001 |
30 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
56 |
21 |
21635 |
397.2 |
-5.7 |
0.347 |
13 |
0 |
0 |
0.262 |
10 |
|
[ATP]C:1001 |
30 |
1 |
611 |
f |
C |
x,y,z |
1_555 |
55 |
22 |
21808 |
396.0 |
-5.4 |
0.357 |
13 |
0 |
0 |
0.262 |
11 |
|
[ATP]D:1001 |
30 |
1 |
611 |
f |
D |
x,y,z |
1_555 |
57 |
22 |
21532 |
395.1 |
-5.6 |
0.340 |
11 |
0 |
0 |
0.262 |
12 |
|
[ATP]B:1001 |
30 |
1 |
608 |
f |
B |
x,y,z |
1_555 |
56 |
21 |
21787 |
388.1 |
-5.8 |
0.332 |
11 |
0 |
0 |
0.262 |
Average: |
394.1 |
-5.6 |
0.344 |
12 |
0 |
0 |
0.262 |
6 |
13 |
|
D |
23 |
11 |
21532 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
22 |
9 |
21808 |
176.4 |
1.7 |
0.749 |
2 |
3 |
0 |
0.000 |
7 |
14 |
|
[GOL]C:488 |
6 |
1 |
212 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
21808 |
138.7 |
-0.8 |
0.513 |
2 |
0 |
0 |
0.020 |
8 |
15 |
|
B |
14 |
5 |
21787 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
4 |
21635 |
134.5 |
4.3 |
0.956 |
2 |
8 |
0 |
0.000 |
9 |
16 |
|
[GOL]A:488 |
6 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
21635 |
133.4 |
-0.6 |
0.502 |
2 |
0 |
0 |
0.017 |
10 |
17 |
|
D |
15 |
4 |
21532 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
4 |
21808 |
115.3 |
1.1 |
0.804 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[SO4]C:489 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
21808 |
81.9 |
-12.1 |
0.653 |
1 |
0 |
0 |
0.151 |
12 |
19 |
|
[SO4]C:489 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
21787 |
68.3 |
-8.8 |
0.706 |
0 |
0 |
0 |
0.088 |
13 |
20 |
|
[NA]C:490 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
21808 |
65.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.118 |
21 |
|
[NA]A:489 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
21635 |
62.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
64.0 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.118 |
14 |
22 |
|
[NA]B:488 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
21787 |
64.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.184 |
23 |
|
[NA]A:490 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21635 |
60.3 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.184 |
Average: |
62.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.184 |
15 |
24 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
21635 |
48.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.113 |
25 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
21787 |
47.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.113 |
26 |
|
[MG]D:1002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
21532 |
46.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
47.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.113 |
16 |
27 |
|
B |
7 |
3 |
21787 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
21808 |
45.8 |
2.0 |
0.921 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
3 |
1 |
21532 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
21635 |
33.5 |
1.5 |
0.906 |
0 |
0 |
0 |
0.000 |
Average: |
39.6 |
1.8 |
0.913 |
0 |
0 |
0 |
0.000 |
17 |
29 |
|
[MG]D:1002 |
1 |
1 |
98 |
f |
[ATP]D:1001 |
x,y,z |
1_555 |
4 |
1 |
611 |
37.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.124 |
30 |
|
[MG]B:1002 |
1 |
1 |
98 |
f |
[ATP]B:1001 |
x,y,z |
1_555 |
4 |
1 |
608 |
36.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.124 |
31 |
|
[MG]A:1002 |
1 |
1 |
98 |
f |
[ATP]A:1001 |
x,y,z |
1_555 |
4 |
1 |
620 |
36.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
36.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.124 |
18 |
32 |
|
[NA]B:488 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
21808 |
31.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.038 |
33 |
|
[NA]A:490 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
21532 |
27.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
29.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.038 |
19 |
34 |
|
[NA]A:489 |
1 |
1 |
125 |
f |
[GOL]A:488 |
x,y,z |
1_555 |
5 |
1 |
213 |
29.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
20 |
35 |
|
[NA]C:490 |
1 |
1 |
125 |
f |
[GOL]C:488 |
x,y,z |
1_555 |
3 |
1 |
212 |
26.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.036 |
21 |
36 |
|
A |
2 |
1 |
21635 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
21787 |
24.0 |
0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
A |
2 |
1 |
21635 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
21808 |
11.5 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
3 |
1 |
21635 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
21808 |
10.8 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
Average: |
11.1 |
0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
C |
1 |
1 |
21808 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
21787 |
5.6 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
B |
1 |
1 |
21787 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
21532 |
3.6 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
C |
1 |
1 |
21808 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
21808 |
3.0 |
-0.1 |
0.451 |
0 |
0 |
0 |
0.000 |
|