## |
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 |
162 |
42 |
8479 |
◊ |
A |
x,y,z |
1_555 |
160 |
41 |
8574 |
1445.1 |
-16.6 |
0.381 |
22 |
2 |
0 |
0.155 |
2 |
2 |
|
A |
47 |
11 |
8574 |
x |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
48 |
16 |
8574 |
423.4 |
-6.0 |
0.293 |
4 |
0 |
0 |
0.000 |
3 |
|
B |
55 |
20 |
8479 |
x |
B |
-y,x-y-1,z+1/3 |
2_545 |
47 |
12 |
8479 |
394.9 |
-4.9 |
0.444 |
4 |
0 |
0 |
0.000 |
Average: |
409.1 |
-5.5 |
0.368 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
20 |
9 |
8479 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
25 |
8 |
8574 |
234.9 |
-3.3 |
0.276 |
1 |
0 |
0 |
0.000 |
5 |
|
B |
24 |
9 |
8479 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
21 |
10 |
8574 |
233.9 |
-3.2 |
0.293 |
1 |
0 |
0 |
0.000 |
Average: |
234.4 |
-3.2 |
0.285 |
1 |
0 |
0 |
0.000 |
4 |
6 |
|
F |
21 |
6 |
1077 |
◊ |
A |
x,y,z |
1_555 |
26 |
7 |
8574 |
224.3 |
-0.5 |
0.583 |
6 |
1 |
0 |
0.037 |
7 |
|
D |
21 |
6 |
1044 |
◊ |
B |
x,y,z |
1_555 |
25 |
7 |
8479 |
220.6 |
-0.5 |
0.583 |
7 |
1 |
0 |
0.037 |
Average: |
222.4 |
-0.5 |
0.583 |
7 |
1 |
0 |
0.037 |
5 |
8 |
|
F |
17 |
4 |
1077 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
8479 |
200.3 |
-3.5 |
0.241 |
1 |
0 |
0 |
0.041 |
9 |
|
D |
17 |
4 |
1044 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
8574 |
200.1 |
-3.5 |
0.236 |
1 |
0 |
0 |
0.041 |
Average: |
200.2 |
-3.5 |
0.239 |
1 |
0 |
0 |
0.041 |
6 |
10 |
|
D |
10 |
3 |
1044 |
◊ |
A |
-y-1,x-y-1,z+1/3 |
2_445 |
11 |
4 |
8574 |
115.2 |
-0.2 |
0.530 |
1 |
2 |
0 |
0.000 |
11 |
|
B |
10 |
3 |
8479 |
◊ |
F |
-y,x-y-1,z+1/3 |
2_545 |
7 |
3 |
1077 |
87.2 |
-1.7 |
0.282 |
0 |
0 |
0 |
0.000 |
Average: |
101.2 |
-1.0 |
0.406 |
1 |
1 |
0 |
0.000 |
7 |
12 |
|
A |
12 |
4 |
8574 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
12 |
3 |
8479 |
106.6 |
-0.7 |
0.553 |
1 |
0 |
0 |
0.000 |
13 |
|
A |
10 |
3 |
8574 |
◊ |
B |
-y-1,x-y-1,z-2/3 |
2_444 |
13 |
4 |
8479 |
99.6 |
-1.4 |
0.411 |
0 |
0 |
0 |
0.000 |
Average: |
103.1 |
-1.1 |
0.482 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[SO4]B:3 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
8479 |
101.3 |
-14.4 |
0.807 |
2 |
0 |
0 |
0.089 |
9 |
15 |
|
[SO4]A:4 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8574 |
100.6 |
-14.0 |
0.817 |
2 |
0 |
0 |
0.086 |
10 |
16 |
|
[SO4]A:7 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
8574 |
95.9 |
-15.1 |
0.761 |
1 |
0 |
0 |
0.091 |
11 |
17 |
|
[SO4]B:8 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8479 |
93.4 |
-14.4 |
0.765 |
1 |
0 |
0 |
0.086 |
12 |
18 |
|
[SO4]B:5 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
8479 |
81.8 |
-12.0 |
0.838 |
5 |
0 |
0 |
0.083 |
13 |
19 |
|
[SO4]A:6 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8574 |
80.1 |
-11.5 |
0.839 |
5 |
0 |
0 |
0.080 |
14 |
20 |
|
[SO4]A:2 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8574 |
79.7 |
-11.1 |
0.898 |
5 |
0 |
0 |
0.077 |
15 |
21 |
|
[SO4]B:1 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8479 |
78.2 |
-11.0 |
0.839 |
5 |
0 |
0 |
0.077 |
16 |
22 |
|
[SO4]B:1 |
5 |
1 |
185 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
5 |
2 |
8479 |
60.8 |
-7.9 |
0.881 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
[CL]A:213 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
8574 |
59.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.101 |
24 |
|
[CL]B:213 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8479 |
57.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.101 |
Average: |
58.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.101 |
18 |
25 |
|
[SO4]B:8 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
8574 |
42.2 |
-4.4 |
0.924 |
2 |
0 |
0 |
0.031 |
19 |
26 |
|
A |
5 |
2 |
8574 |
◊ |
[SO4]A:2 |
-y-1,x-y-1,z+1/3 |
2_445 |
5 |
1 |
185 |
38.2 |
-5.2 |
0.603 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[SO4]A:7 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8479 |
32.9 |
-3.4 |
0.953 |
1 |
0 |
0 |
0.022 |
21 |
28 |
|
B |
2 |
1 |
8479 |
◊ |
[CL]A:213 |
-y-1,x-y-1,z+1/3 |
2_445 |
1 |
1 |
125 |
21.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[CL]B:213 |
1 |
1 |
125 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
2 |
1 |
8574 |
21.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
21.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
B |
4 |
2 |
8479 |
◊ |
[SO4]A:6 |
-y-1,x-y-1,z+1/3 |
2_445 |
3 |
1 |
184 |
18.5 |
-2.2 |
0.715 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[SO4]B:5 |
3 |
1 |
185 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
3 |
2 |
8574 |
16.2 |
-1.8 |
0.712 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[SO4]B:8 |
1 |
1 |
187 |
◊ |
[SO4]A:7 |
x,y,z |
1_555 |
1 |
1 |
187 |
16.0 |
-3.8 |
0.800 |
0 |
0 |
0 |
0.022 |
25 |
33 |
|
A |
1 |
1 |
8574 |
◊ |
D |
-y-1,x-y-1,z-2/3 |
2_444 |
1 |
1 |
1044 |
11.9 |
0.6 |
0.879 |
0 |
0 |
0 |
0.000 |
34 |
|
F |
2 |
2 |
1077 |
◊ |
B |
-y,x-y-1,z-2/3 |
2_544 |
3 |
3 |
8479 |
9.7 |
0.6 |
0.815 |
0 |
0 |
0 |
0.000 |
Average: |
10.8 |
0.6 |
0.847 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
[SO4]B:5 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
1077 |
10.1 |
-1.4 |
0.610 |
0 |
0 |
0 |
0.007 |
27 |
36 |
|
[SO4]A:6 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
1044 |
10.0 |
-1.4 |
0.526 |
0 |
0 |
0 |
0.007 |
28 |
37 |
|
F |
1 |
1 |
1077 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
8574 |
4.6 |
0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
|