## |
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 |
127 |
37 |
18584 |
◊ |
A |
x,y,z-1 |
1_554 |
129 |
36 |
18084 |
1099.8 |
-8.6 |
0.262 |
13 |
2 |
0 |
0.216 |
2 |
|
D |
125 |
36 |
18241 |
◊ |
C |
x,y,z-1 |
1_554 |
126 |
36 |
18509 |
1072.7 |
-9.2 |
0.237 |
14 |
2 |
0 |
0.216 |
Average: |
1086.2 |
-8.9 |
0.250 |
14 |
2 |
0 |
0.216 |
2 |
3 |
|
D |
37 |
12 |
18241 |
◊ |
C |
x,y,z |
1_555 |
39 |
12 |
18509 |
362.1 |
0.1 |
0.658 |
2 |
3 |
0 |
0.000 |
4 |
|
B |
41 |
13 |
18584 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
18084 |
302.6 |
-0.4 |
0.586 |
1 |
0 |
0 |
0.000 |
Average: |
332.4 |
-0.2 |
0.622 |
2 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
31 |
9 |
18509 |
◊ |
D |
x-1,y,z |
1_455 |
32 |
9 |
18241 |
292.8 |
0.7 |
0.714 |
3 |
3 |
0 |
0.000 |
4 |
6 |
|
D |
38 |
12 |
18241 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
29 |
9 |
18584 |
291.3 |
-4.2 |
0.186 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
[68F]C:504 |
17 |
1 |
507 |
f |
C |
x,y,z |
1_555 |
44 |
15 |
18509 |
258.9 |
-5.2 |
0.293 |
5 |
0 |
0 |
0.102 |
8 |
|
[68F]A:504 |
18 |
1 |
511 |
f |
A |
x,y,z |
1_555 |
44 |
16 |
18084 |
254.8 |
-5.3 |
0.286 |
5 |
0 |
0 |
0.102 |
Average: |
256.8 |
-5.2 |
0.289 |
5 |
0 |
0 |
0.102 |
6 |
9 |
|
[68F]B:505 |
18 |
1 |
501 |
f |
B |
x,y,z |
1_555 |
44 |
15 |
18584 |
252.0 |
-5.1 |
0.268 |
4 |
0 |
0 |
0.104 |
10 |
|
[68F]D:503 |
18 |
1 |
499 |
f |
D |
x,y,z |
1_555 |
45 |
15 |
18241 |
250.5 |
-5.4 |
0.236 |
5 |
0 |
0 |
0.104 |
Average: |
251.2 |
-5.2 |
0.252 |
5 |
0 |
0 |
0.104 |
7 |
11 |
|
C |
27 |
9 |
18509 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
28 |
13 |
18584 |
223.7 |
-0.7 |
0.493 |
0 |
2 |
0 |
0.000 |
8 |
12 |
|
C |
19 |
7 |
18509 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
9 |
18584 |
157.1 |
0.1 |
0.533 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
D |
23 |
6 |
18241 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
14 |
5 |
18084 |
146.8 |
-1.3 |
0.384 |
0 |
1 |
0 |
0.000 |
10 |
14 |
|
B |
24 |
9 |
18584 |
x |
B |
x-1,y,z |
1_455 |
20 |
8 |
18584 |
145.7 |
0.4 |
0.645 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
19 |
9 |
18509 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
5 |
18084 |
136.2 |
-1.6 |
0.377 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
A |
18 |
6 |
18084 |
◊ |
B |
x-1,y,z+1 |
1_456 |
13 |
4 |
18584 |
127.4 |
1.4 |
0.807 |
1 |
1 |
0 |
0.000 |
13 |
17 |
|
[IMD]B:504 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
18584 |
120.5 |
4.3 |
0.408 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[IMD]A:503 |
5 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
18084 |
119.6 |
4.3 |
0.498 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[IMD]C:503 |
5 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
18509 |
119.3 |
4.3 |
0.416 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[IMD]D:502 |
5 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
18241 |
118.8 |
4.3 |
0.480 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
D |
9 |
6 |
18241 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
6 |
18584 |
97.8 |
0.5 |
0.611 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[SO4]A:501 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
18084 |
94.1 |
-14.1 |
0.887 |
2 |
0 |
0 |
0.180 |
19 |
23 |
|
C |
12 |
5 |
18509 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
18584 |
93.2 |
-2.1 |
0.233 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[SO4]D:501 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
18241 |
93.2 |
-14.4 |
0.871 |
4 |
0 |
0 |
0.222 |
21 |
25 |
|
[SO4]B:502 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
18584 |
91.9 |
-13.2 |
0.874 |
3 |
0 |
0 |
0.175 |
22 |
26 |
|
[SO4]C:501 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
18509 |
90.1 |
-13.0 |
0.890 |
3 |
0 |
0 |
0.196 |
23 |
27 |
|
[SO4]C:502 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
18509 |
70.4 |
-10.1 |
0.815 |
2 |
0 |
0 |
0.151 |
24 |
28 |
|
[SO4]B:501 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
18584 |
63.7 |
-8.6 |
0.761 |
2 |
0 |
0 |
0.114 |
25 |
29 |
|
[SO4]B:503 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
18584 |
61.9 |
-6.8 |
0.944 |
3 |
0 |
0 |
0.098 |
26 |
30 |
|
[68F]D:503 |
3 |
1 |
499 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
18084 |
59.5 |
-0.9 |
0.377 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
A |
5 |
2 |
18084 |
◊ |
[SO4]A:502 |
x-1,y,z |
1_455 |
5 |
1 |
187 |
56.0 |
-5.6 |
0.906 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
D |
5 |
2 |
18241 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
18584 |
51.9 |
0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[SO4]A:502 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
18084 |
51.8 |
-6.7 |
0.728 |
1 |
0 |
0 |
0.086 |
30 |
34 |
|
A |
8 |
3 |
18084 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
18084 |
51.8 |
-0.4 |
0.497 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[68F]C:504 |
4 |
1 |
507 |
f |
[SO4]C:501 |
x,y,z |
1_555 |
4 |
1 |
188 |
38.5 |
-4.8 |
0.823 |
1 |
0 |
0 |
0.072 |
32 |
36 |
|
[68F]B:505 |
4 |
1 |
501 |
f |
[SO4]B:502 |
x,y,z |
1_555 |
4 |
1 |
186 |
33.7 |
-4.6 |
0.813 |
1 |
0 |
0 |
0.060 |
33 |
37 |
|
D |
3 |
1 |
18241 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
18084 |
26.1 |
0.2 |
0.542 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
C |
6 |
2 |
18509 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
18084 |
24.7 |
-0.2 |
0.543 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[SO4]B:503 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18509 |
24.0 |
-1.6 |
0.987 |
2 |
0 |
0 |
0.000 |
36 |
40 |
|
[68F]D:503 |
3 |
1 |
499 |
f |
[SO4]D:501 |
x,y,z |
1_555 |
3 |
1 |
187 |
22.3 |
-3.1 |
0.723 |
0 |
0 |
0 |
0.042 |
37 |
41 |
|
[68F]A:504 |
4 |
1 |
511 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
3 |
1 |
188 |
20.8 |
-2.5 |
0.848 |
0 |
0 |
0 |
0.030 |
38 |
42 |
|
D |
1 |
1 |
18241 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
18084 |
15.7 |
-0.1 |
0.330 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
D |
1 |
1 |
18241 |
◊ |
[SO4]B:501 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
187 |
12.8 |
-1.3 |
0.846 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[SO4]D:501 |
2 |
1 |
187 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
18084 |
10.7 |
-1.5 |
0.408 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
D |
1 |
1 |
18241 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
18241 |
2.4 |
0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
|