| ## |
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 |
417 |
107 |
18068 |
◊ |
A |
x,y,z |
1_555 |
423 |
107 |
18038 |
4000.1 |
-49.4 |
0.007 |
37 |
8 |
0 |
0.412 |
| 2 |
2 |
|
A |
59 |
18 |
18038 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
46 |
10 |
18038 |
484.0 |
-2.8 |
0.417 |
6 |
2 |
0 |
0.000 |
| 3 |
3 |
|
A |
44 |
13 |
18038 |
◊ |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
46 |
17 |
18068 |
397.6 |
-5.2 |
0.153 |
1 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
40 |
12 |
18038 |
◊ |
B |
x,y,z-1 |
1_554 |
42 |
12 |
18068 |
371.4 |
1.6 |
0.818 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
B |
26 |
7 |
18068 |
◊ |
A |
-x+1,-y,z |
2_655 |
26 |
6 |
18038 |
226.0 |
-4.3 |
0.111 |
0 |
1 |
0 |
0.026 |
| 6 |
6 |
|
[PLP]B:390 |
16 |
1 |
385 |
f |
B |
x,y,z |
1_555 |
41 |
18 |
18068 |
203.0 |
0.8 |
0.721 |
7 |
0 |
0 |
0.036 |
7 |
|
[PLP]A:390 |
16 |
1 |
389 |
f |
A |
x,y,z |
1_555 |
38 |
17 |
18038 |
196.6 |
-0.5 |
0.583 |
7 |
0 |
0 |
0.036 |
| Average: |
199.8 |
0.2 |
0.652 |
7 |
0 |
0 |
0.036 |
| 7 |
8 |
|
B |
28 |
9 |
18068 |
x |
B |
x-1/2,-y+1/2,-z+2 |
4_457 |
21 |
5 |
18068 |
186.9 |
-1.3 |
0.506 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
B |
21 |
8 |
18068 |
◊ |
B |
-x+1,-y,z |
2_655 |
21 |
8 |
18068 |
168.7 |
-5.1 |
0.045 |
0 |
0 |
0 |
0.027 |
10 |
|
A |
16 |
6 |
18038 |
◊ |
A |
-x+1,-y,z |
2_655 |
16 |
6 |
18038 |
144.1 |
-4.1 |
0.055 |
0 |
0 |
0 |
0.027 |
| Average: |
156.4 |
-4.6 |
0.050 |
0 |
0 |
0 |
0.027 |
| 9 |
11 |
|
B |
27 |
8 |
18068 |
◊ |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
22 |
8 |
18038 |
162.6 |
0.7 |
0.729 |
0 |
0 |
0 |
0.000 |
| 10 |
12 |
|
A |
18 |
6 |
18038 |
x |
A |
x-1/2,-y+1/2,-z+2 |
4_457 |
18 |
5 |
18038 |
153.8 |
-1.3 |
0.452 |
1 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[DTT]B:502 |
8 |
1 |
299 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
18068 |
131.5 |
-0.6 |
0.513 |
6 |
0 |
0 |
0.043 |
14 |
|
[DTT]A:501 |
8 |
1 |
299 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
18038 |
129.8 |
-0.6 |
0.519 |
7 |
0 |
0 |
0.043 |
| Average: |
130.6 |
-0.6 |
0.516 |
7 |
0 |
0 |
0.043 |
| 12 |
15 |
|
[DTT]A:501 |
8 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
18068 |
123.3 |
-4.3 |
0.255 |
1 |
0 |
0 |
0.059 |
16 |
|
[DTT]B:502 |
8 |
1 |
299 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
18038 |
121.1 |
-4.0 |
0.317 |
2 |
0 |
0 |
0.059 |
| Average: |
122.2 |
-4.1 |
0.286 |
2 |
0 |
0 |
0.059 |
| 13 |
17 |
|
[PLP]B:390 |
7 |
1 |
385 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
18038 |
64.3 |
-1.8 |
0.437 |
3 |
0 |
0 |
0.036 |
18 |
|
[PLP]A:390 |
7 |
1 |
389 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
18068 |
61.7 |
-1.9 |
0.423 |
2 |
0 |
0 |
0.036 |
| Average: |
63.0 |
-1.8 |
0.430 |
3 |
0 |
0 |
0.036 |
| 14 |
19 |
|
[SO4]A:392 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
18038 |
63.5 |
-8.6 |
0.742 |
4 |
0 |
0 |
0.064 |
| 15 |
20 |
|
[SO4]B:393 |
5 |
1 |
178 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
18068 |
58.2 |
-7.4 |
0.762 |
4 |
0 |
0 |
0.056 |
| 16 |
21 |
|
[SO4]A:392 |
5 |
1 |
185 |
f |
[PLP]A:390 |
x,y,z |
1_555 |
7 |
1 |
389 |
54.4 |
-10.0 |
0.558 |
0 |
0 |
0 |
0.061 |
| 17 |
22 |
|
[MG]A:391 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
18038 |
50.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.078 |
23 |
|
[MG]B:391 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
18068 |
49.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.078 |
| Average: |
49.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.078 |
| 18 |
24 |
|
[SO4]B:393 |
5 |
1 |
178 |
f |
[PLP]B:390 |
x,y,z |
1_555 |
4 |
1 |
385 |
48.3 |
-9.5 |
0.545 |
0 |
0 |
0 |
0.059 |
| 19 |
25 |
|
[SO4]A:392 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
18068 |
35.9 |
-4.0 |
0.819 |
2 |
0 |
0 |
0.030 |
| 20 |
26 |
|
[SO4]B:393 |
5 |
1 |
178 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
18038 |
34.9 |
-3.8 |
0.875 |
3 |
0 |
0 |
0.032 |
| 21 |
27 |
|
[MG]B:391 |
1 |
1 |
98 |
f |
[PLP]B:390 |
x,y,z |
1_555 |
3 |
1 |
385 |
26.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.034 |
28 |
|
[MG]A:391 |
1 |
1 |
98 |
f |
[PLP]A:390 |
x,y,z |
1_555 |
3 |
1 |
389 |
26.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
26.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.034 |
|