## |
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 |
|
[FDE]A:201 |
38 |
1 |
754 |
f |
A |
x,y,z |
1_555 |
62 |
20 |
7196 |
452.2 |
-14.3 |
0.435 |
0 |
0 |
0 |
0.030 |
2 |
2 |
|
[FDE]B:201 |
38 |
1 |
743 |
f |
B |
x,y,z |
1_555 |
56 |
19 |
7238 |
438.0 |
-13.8 |
0.270 |
1 |
0 |
0 |
0.033 |
3 |
3 |
|
B |
47 |
14 |
7238 |
◊ |
A |
x,y,z |
1_555 |
52 |
15 |
7196 |
405.3 |
2.1 |
0.896 |
2 |
2 |
0 |
0.000 |
4 |
4 |
|
B |
29 |
8 |
7238 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
36 |
13 |
7196 |
296.7 |
-2.9 |
0.425 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
27 |
8 |
7196 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
38 |
13 |
7238 |
291.5 |
-2.8 |
0.429 |
2 |
0 |
0 |
0.000 |
Average: |
294.1 |
-2.9 |
0.427 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
26 |
7 |
7238 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
24 |
6 |
7196 |
230.2 |
-2.1 |
0.453 |
5 |
6 |
0 |
0.000 |
6 |
7 |
|
B |
22 |
7 |
7238 |
x |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
24 |
6 |
7238 |
216.5 |
-1.7 |
0.452 |
1 |
0 |
0 |
0.000 |
8 |
|
A |
16 |
5 |
7196 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
21 |
5 |
7196 |
188.4 |
-1.6 |
0.467 |
2 |
0 |
0 |
0.000 |
Average: |
202.4 |
-1.7 |
0.460 |
2 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
18 |
8 |
7238 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
17 |
6 |
7196 |
178.4 |
-1.0 |
0.531 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
17 |
7 |
7196 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
14 |
6 |
7238 |
149.5 |
-1.9 |
0.308 |
1 |
0 |
0 |
0.000 |
Average: |
164.0 |
-1.5 |
0.419 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[T6C]A:202 |
10 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
7196 |
166.4 |
-11.1 |
0.421 |
2 |
0 |
0 |
0.025 |
9 |
12 |
|
[T6C]B:202 |
10 |
1 |
316 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
7238 |
164.8 |
-11.2 |
0.434 |
2 |
0 |
0 |
0.028 |
10 |
13 |
|
[PEG]A:205 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
7196 |
140.4 |
1.7 |
0.262 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]A:203 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
7196 |
109.7 |
3.4 |
0.509 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]B:203 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
7238 |
95.8 |
2.0 |
0.255 |
3 |
0 |
0 |
0.000 |
13 |
16 |
|
[T6C]A:202 |
6 |
1 |
316 |
f |
[FDE]A:201 |
x,y,z |
1_555 |
24 |
1 |
754 |
92.1 |
-10.0 |
0.761 |
0 |
0 |
0 |
0.021 |
14 |
17 |
|
[EDO]B:204 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
7238 |
91.2 |
2.9 |
0.473 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[T6C]B:202 |
5 |
1 |
316 |
f |
[FDE]B:201 |
x,y,z |
1_555 |
25 |
1 |
743 |
88.8 |
-9.3 |
0.687 |
0 |
0 |
0 |
0.022 |
16 |
19 |
|
B |
13 |
4 |
7238 |
x |
B |
-x-3/2,-y,z-1/2 |
2_354 |
10 |
4 |
7238 |
80.4 |
0.6 |
0.663 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
8 |
4 |
7196 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
4 |
7196 |
63.4 |
-0.4 |
0.550 |
0 |
0 |
0 |
0.000 |
Average: |
71.9 |
0.1 |
0.607 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]A:204 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
7196 |
76.7 |
2.7 |
0.612 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
B |
12 |
6 |
7238 |
f |
[SO4]A:207 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
182 |
72.6 |
-10.8 |
0.701 |
2 |
0 |
0 |
0.027 |
19 |
23 |
|
[SO4]A:206 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
7196 |
71.6 |
-10.8 |
0.737 |
2 |
0 |
0 |
0.024 |
20 |
24 |
|
[SO4]A:206 |
5 |
1 |
182 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
5 |
7238 |
71.2 |
-10.0 |
0.760 |
2 |
0 |
0 |
0.000 |
21 |
25 |
|
[SO4]A:207 |
5 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
7196 |
69.3 |
-9.8 |
0.778 |
3 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
8 |
4 |
7238 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
7196 |
68.8 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
B |
4 |
2 |
7238 |
◊ |
[PEG]A:205 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
259 |
55.6 |
1.3 |
0.240 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]B:203 |
2 |
1 |
184 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
7196 |
45.0 |
1.2 |
0.394 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]A:204 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7238 |
35.3 |
0.6 |
0.674 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]A:204 |
3 |
1 |
183 |
f |
A |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
2 |
7196 |
33.2 |
0.2 |
0.518 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[EDO]A:203 |
1 |
1 |
184 |
f |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
2 |
7238 |
28.4 |
0.3 |
0.740 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[PEG]A:205 |
1 |
1 |
259 |
f |
B |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
1 |
7238 |
17.3 |
0.7 |
0.548 |
0 |
0 |
0 |
0.000 |
|