## |
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 |
123 |
35 |
14037 |
◊ |
A |
x,y,z |
1_555 |
129 |
37 |
14002 |
1305.1 |
-20.9 |
0.021 |
19 |
1 |
0 |
0.153 |
2 |
2 |
|
B |
90 |
28 |
14037 |
x |
B |
x-y,x,z+1/6 |
6_555 |
108 |
32 |
14037 |
839.9 |
0.7 |
0.823 |
15 |
6 |
0 |
0.000 |
3 |
|
A |
107 |
31 |
14002 |
x |
A |
x-y,x,z+1/6 |
6_555 |
81 |
24 |
14002 |
783.7 |
-0.6 |
0.760 |
11 |
5 |
0 |
0.000 |
Average: |
811.8 |
0.1 |
0.792 |
13 |
6 |
0 |
0.000 |
3 |
4 |
|
[ATP]B:401 |
30 |
1 |
594 |
f |
B |
x,y,z |
1_555 |
57 |
24 |
14037 |
412.7 |
-3.8 |
0.479 |
8 |
0 |
0 |
0.075 |
5 |
|
[ATP]A:403 |
30 |
1 |
594 |
f |
A |
x,y,z |
1_555 |
53 |
23 |
14002 |
411.0 |
-3.6 |
0.451 |
8 |
0 |
0 |
0.075 |
Average: |
411.8 |
-3.7 |
0.465 |
8 |
0 |
0 |
0.075 |
4 |
6 |
|
B |
37 |
14 |
14037 |
◊ |
A |
x-y-1,x-1,z+1/6 |
6_445 |
39 |
13 |
14002 |
386.4 |
-0.6 |
0.529 |
3 |
3 |
0 |
0.000 |
5 |
7 |
|
A |
43 |
15 |
14002 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
46 |
14 |
14037 |
360.8 |
-1.8 |
0.465 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
[GOL]A:401 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
14002 |
129.5 |
-0.2 |
0.595 |
3 |
0 |
0 |
0.008 |
7 |
9 |
|
B |
10 |
4 |
14037 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
10 |
4 |
14002 |
87.3 |
-0.4 |
0.427 |
0 |
1 |
0 |
0.000 |
8 |
10 |
|
[CL]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
14037 |
85.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.127 |
11 |
|
[CL]A:410 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
14002 |
83.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
84.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.127 |
9 |
12 |
|
[CL]B:407 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14037 |
69.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.118 |
13 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
14002 |
68.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
69.0 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.118 |
10 |
14 |
|
[GOL]A:402 |
6 |
1 |
215 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14037 |
67.9 |
0.0 |
0.638 |
3 |
0 |
0 |
0.007 |
11 |
15 |
|
[GOL]A:402 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14002 |
67.4 |
-0.7 |
0.432 |
2 |
0 |
0 |
0.008 |
12 |
16 |
|
[NA]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
14037 |
66.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.129 |
17 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
14002 |
65.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.129 |
Average: |
66.3 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.129 |
13 |
18 |
|
[NA]A:407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14002 |
66.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.047 |
14 |
19 |
|
[CL]B:405 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14037 |
58.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.042 |
15 |
20 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
14002 |
58.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.087 |
21 |
|
[CL]B:408 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
14037 |
56.4 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
57.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.087 |
16 |
22 |
|
B |
10 |
5 |
14037 |
f |
[NA]B:404 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
125 |
53.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.082 |
23 |
|
[NA]A:406 |
1 |
1 |
125 |
f |
A |
x-y,x,z+1/6 |
6_555 |
11 |
6 |
14002 |
53.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
53.9 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.082 |
17 |
24 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
14037 |
48.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.073 |
25 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
14002 |
47.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
48.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.073 |
18 |
26 |
|
[GOL]A:402 |
4 |
1 |
215 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
7 |
3 |
14037 |
42.1 |
0.0 |
0.654 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
[NA]A:405 |
1 |
1 |
125 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
9 |
4 |
14002 |
39.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
9 |
4 |
14037 |
◊ |
[NA]B:403 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
125 |
38.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
38.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[NA]A:406 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14002 |
34.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
|
[NA]B:404 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
14037 |
33.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
33.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[CL]A:408 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
14037 |
33.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.039 |
32 |
|
[CL]B:408 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14002 |
29.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
31.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.039 |
22 |
33 |
|
B |
4 |
3 |
14037 |
◊ |
A |
x-y,x,z+1/6 |
6_555 |
5 |
2 |
14002 |
20.6 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
B |
2 |
1 |
14037 |
◊ |
[CL]B:405 |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
125 |
19.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[NA]A:406 |
1 |
1 |
125 |
◊ |
[NA]A:405 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[NA]B:404 |
1 |
1 |
125 |
◊ |
[NA]B:403 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[CL]B:408 |
1 |
1 |
125 |
◊ |
[GOL]A:402 |
x,y,z |
1_555 |
2 |
1 |
215 |
8.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.005 |
27 |
38 |
|
A |
2 |
1 |
14002 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
14002 |
8.2 |
0.2 |
0.778 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
B |
1 |
1 |
14037 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
14002 |
1.7 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
|