## |
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 |
154 |
40 |
8237 |
◊ |
A |
x,y,z |
1_555 |
154 |
41 |
8330 |
1261.3 |
-16.0 |
0.251 |
21 |
2 |
0 |
0.209 |
2 |
2 |
|
A |
51 |
12 |
8330 |
x |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
57 |
19 |
8330 |
431.9 |
-5.3 |
0.408 |
5 |
2 |
0 |
0.000 |
3 |
|
B |
54 |
19 |
8237 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
52 |
12 |
8237 |
419.1 |
-5.2 |
0.405 |
4 |
0 |
0 |
0.000 |
Average: |
425.5 |
-5.2 |
0.407 |
5 |
1 |
0 |
0.000 |
3 |
4 |
|
B |
22 |
10 |
8237 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
25 |
7 |
8330 |
243.0 |
-3.4 |
0.258 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
26 |
7 |
8237 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
22 |
10 |
8330 |
241.4 |
-3.5 |
0.263 |
1 |
0 |
0 |
0.000 |
Average: |
242.2 |
-3.5 |
0.260 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
[EE2]B:1215 |
27 |
1 |
574 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
8330 |
204.9 |
1.3 |
0.668 |
0 |
0 |
0 |
0.000 |
7 |
|
[EE2]A:1215 |
25 |
1 |
579 |
◊ |
B |
x,y,z |
1_555 |
44 |
11 |
8237 |
202.7 |
2.0 |
0.668 |
0 |
0 |
0 |
0.000 |
Average: |
203.8 |
1.6 |
0.668 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[EE2]B:1215 |
27 |
1 |
574 |
f |
[5EY]B:1214 |
x,y,z |
1_555 |
28 |
1 |
564 |
183.0 |
1.1 |
0.678 |
0 |
0 |
0 |
0.000 |
9 |
|
[EE2]A:1215 |
27 |
1 |
579 |
f |
[5EY]A:1214 |
x,y,z |
1_555 |
27 |
1 |
566 |
179.8 |
0.6 |
0.668 |
0 |
0 |
0 |
0.000 |
Average: |
181.4 |
0.8 |
0.673 |
0 |
0 |
0 |
0.000 |
6 |
10 |
|
[5EY]B:1214 |
23 |
1 |
564 |
◊ |
A |
x,y,z |
1_555 |
40 |
10 |
8330 |
171.4 |
0.4 |
0.590 |
0 |
0 |
0 |
0.000 |
11 |
|
[5EY]A:1214 |
21 |
1 |
566 |
◊ |
B |
x,y,z |
1_555 |
40 |
10 |
8237 |
158.1 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
Average: |
164.8 |
0.2 |
0.578 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
[5EY]A:1214 |
25 |
1 |
566 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
8330 |
162.2 |
-0.4 |
0.601 |
3 |
0 |
0 |
0.014 |
8 |
13 |
|
[5EY]B:1214 |
24 |
1 |
564 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
8237 |
161.0 |
-0.3 |
0.575 |
4 |
0 |
0 |
0.017 |
9 |
14 |
|
[EE2]A:1215 |
23 |
1 |
579 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
8330 |
157.7 |
-3.7 |
0.418 |
4 |
0 |
0 |
0.081 |
15 |
|
[EE2]B:1215 |
21 |
1 |
574 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
8237 |
156.9 |
-2.7 |
0.466 |
4 |
0 |
0 |
0.081 |
Average: |
157.3 |
-3.2 |
0.442 |
4 |
0 |
0 |
0.081 |
10 |
16 |
|
A |
12 |
4 |
8330 |
◊ |
B |
-y-1,x-y-1,z-2/3 |
2_444 |
13 |
4 |
8237 |
108.4 |
-1.3 |
0.438 |
0 |
0 |
0 |
0.000 |
17 |
|
A |
13 |
4 |
8330 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
12 |
4 |
8237 |
106.1 |
-1.3 |
0.423 |
0 |
0 |
0 |
0.000 |
Average: |
107.2 |
-1.3 |
0.430 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[SO4]B:1211 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8237 |
100.8 |
-13.3 |
0.947 |
4 |
0 |
0 |
0.123 |
12 |
19 |
|
[SO4]A:1211 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8330 |
100.5 |
-12.9 |
0.945 |
4 |
0 |
0 |
0.120 |
13 |
20 |
|
[ACT]B:1213 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
8237 |
97.1 |
-0.2 |
0.752 |
0 |
0 |
0 |
0.001 |
14 |
21 |
|
[EDO]A:1213 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
8237 |
87.8 |
1.7 |
0.466 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[SO4]B:1212 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8237 |
81.9 |
-12.3 |
0.835 |
6 |
0 |
0 |
0.122 |
16 |
23 |
|
[SO4]A:1212 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8330 |
80.1 |
-12.0 |
0.831 |
5 |
0 |
0 |
0.116 |
17 |
24 |
|
[SO4]B:1210 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8237 |
79.9 |
-11.2 |
0.908 |
5 |
0 |
0 |
0.109 |
18 |
25 |
|
[SO4]A:1210 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8330 |
79.7 |
-11.0 |
0.902 |
5 |
0 |
0 |
0.108 |
19 |
26 |
|
[EDO]A:1213 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
8330 |
70.9 |
1.7 |
0.277 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[SO4]B:1210 |
5 |
1 |
185 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
7 |
2 |
8237 |
59.1 |
-7.9 |
0.831 |
1 |
0 |
0 |
0.000 |
21 |
28 |
|
A |
7 |
2 |
8330 |
◊ |
[SO4]A:1210 |
-y-1,x-y-1,z+1/3 |
2_445 |
5 |
1 |
185 |
50.2 |
-6.3 |
0.805 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[ACT]B:1213 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
8330 |
49.2 |
0.3 |
0.732 |
1 |
0 |
0 |
0.001 |
23 |
30 |
|
[5EY]A:1214 |
2 |
1 |
566 |
f |
[SO4]A:1211 |
x,y,z |
1_555 |
2 |
1 |
187 |
21.7 |
-4.0 |
0.417 |
0 |
0 |
0 |
0.032 |
24 |
31 |
|
[5EY]B:1214 |
2 |
1 |
564 |
f |
[SO4]B:1211 |
x,y,z |
1_555 |
1 |
1 |
187 |
12.0 |
-1.6 |
0.651 |
0 |
0 |
0 |
0.013 |
25 |
32 |
|
[SO4]B:1212 |
3 |
1 |
186 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
3 |
2 |
8330 |
11.4 |
-1.4 |
0.835 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
B |
2 |
2 |
8237 |
◊ |
[SO4]A:1212 |
-y-1,x-y-1,z+1/3 |
2_445 |
2 |
1 |
187 |
10.5 |
-1.4 |
0.691 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
B |
1 |
1 |
8237 |
◊ |
[5EY]A:1214 |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
566 |
8.6 |
-0.0 |
0.361 |
0 |
0 |
0 |
0.000 |
35 |
|
[5EY]B:1214 |
2 |
1 |
564 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
8330 |
8.4 |
-0.1 |
0.360 |
0 |
0 |
0 |
0.000 |
Average: |
8.5 |
-0.0 |
0.361 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[EE2]B:1215 |
2 |
1 |
574 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
8330 |
7.1 |
-0.2 |
0.374 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
1 |
1 |
8237 |
◊ |
[EE2]A:1215 |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
579 |
7.0 |
-0.2 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
7.0 |
-0.2 |
0.373 |
0 |
0 |
0 |
0.000 |
|