## |
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 |
|
C |
153 |
10 |
2813 |
◊ |
A |
x,y,z |
1_555 |
187 |
63 |
22972 |
1438.9 |
-3.7 |
0.358 |
16 |
0 |
0 |
0.125 |
2 |
|
D |
151 |
10 |
2807 |
◊ |
B |
x,y,z |
1_555 |
176 |
62 |
22704 |
1431.6 |
-5.9 |
0.228 |
16 |
0 |
0 |
0.125 |
Average: |
1435.3 |
-4.8 |
0.293 |
16 |
0 |
0 |
0.125 |
2 |
3 |
|
A |
112 |
37 |
22972 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
115 |
34 |
22704 |
1069.4 |
-11.6 |
0.149 |
11 |
2 |
0 |
0.138 |
3 |
4 |
|
B |
107 |
31 |
22704 |
◊ |
A |
x,y,z |
1_555 |
109 |
30 |
22972 |
995.9 |
-5.6 |
0.492 |
10 |
5 |
0 |
0.089 |
4 |
5 |
|
B |
42 |
11 |
22704 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
48 |
16 |
22972 |
417.2 |
2.3 |
0.855 |
6 |
4 |
0 |
0.000 |
5 |
6 |
|
B |
42 |
12 |
22704 |
x |
B |
x-1/2,-y+1/2,-z |
4_455 |
42 |
16 |
22704 |
408.4 |
-6.3 |
0.110 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
37 |
10 |
22972 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
13 |
22704 |
378.8 |
-1.6 |
0.539 |
4 |
3 |
0 |
0.000 |
7 |
8 |
|
A |
34 |
9 |
22972 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
8 |
22704 |
293.0 |
-0.6 |
0.622 |
5 |
1 |
0 |
0.000 |
8 |
9 |
|
C |
24 |
5 |
2813 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
22704 |
226.2 |
1.9 |
0.531 |
2 |
0 |
0 |
0.000 |
10 |
|
D |
21 |
4 |
2807 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
22972 |
207.2 |
1.8 |
0.565 |
3 |
0 |
0 |
0.000 |
Average: |
216.7 |
1.9 |
0.548 |
3 |
0 |
0 |
0.000 |
9 |
11 |
|
A |
24 |
8 |
22972 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
23 |
9 |
22704 |
197.1 |
1.6 |
0.807 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[SO4]A:502 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
22972 |
137.3 |
-18.5 |
0.661 |
3 |
0 |
0 |
0.188 |
11 |
13 |
|
[SO4]B:503 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
22704 |
126.1 |
-16.6 |
0.720 |
5 |
0 |
0 |
0.181 |
12 |
14 |
|
[SO4]B:504 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
22704 |
114.7 |
-17.1 |
0.702 |
1 |
0 |
0 |
0.169 |
13 |
15 |
|
[IPA]A:505 |
4 |
1 |
199 |
◊ |
A |
x,y,z |
1_555 |
19 |
10 |
22972 |
111.9 |
3.1 |
0.403 |
2 |
0 |
0 |
0.000 |
14 |
16 |
|
[IPA]B:507 |
4 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
18 |
10 |
22704 |
111.3 |
3.5 |
0.389 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
A |
13 |
4 |
22972 |
f |
[SO4]B:502 |
-x-1/2,-y,z-1/2 |
2_454 |
5 |
1 |
186 |
92.0 |
-12.9 |
0.772 |
0 |
0 |
0 |
0.122 |
16 |
18 |
|
A |
14 |
4 |
22972 |
x |
A |
x-1,y,z |
1_455 |
11 |
3 |
22972 |
91.6 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[IPA]B:506 |
4 |
1 |
199 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
22704 |
89.2 |
2.8 |
0.255 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
A |
16 |
5 |
22972 |
f |
[IPA]B:506 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
199 |
82.2 |
2.0 |
0.246 |
1 |
0 |
0 |
0.000 |
19 |
21 |
|
[SO4]B:501 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
22704 |
81.6 |
-8.4 |
0.926 |
5 |
0 |
0 |
0.102 |
20 |
22 |
|
[SO4]B:501 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
22972 |
81.2 |
-8.1 |
0.923 |
5 |
0 |
0 |
0.085 |
21 |
23 |
|
[SO4]A:501 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
22972 |
76.8 |
-12.0 |
0.556 |
2 |
0 |
0 |
0.122 |
22 |
24 |
|
[PO4]D:101 |
4 |
1 |
175 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
22704 |
71.3 |
-3.5 |
0.754 |
1 |
0 |
0 |
0.038 |
23 |
25 |
|
[PO4]C:101 |
4 |
1 |
176 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
22972 |
69.5 |
-2.9 |
0.815 |
1 |
0 |
0 |
0.031 |
24 |
26 |
|
[SO4]A:503 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22972 |
60.6 |
-8.4 |
0.730 |
2 |
0 |
0 |
0.088 |
25 |
27 |
|
C |
6 |
3 |
2813 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
2 |
22704 |
59.6 |
1.1 |
0.662 |
1 |
0 |
0 |
0.000 |
28 |
|
A |
8 |
2 |
22972 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
3 |
2807 |
51.9 |
1.3 |
0.727 |
0 |
0 |
0 |
0.000 |
Average: |
55.7 |
1.2 |
0.695 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
22704 |
59.5 |
-7.6 |
0.747 |
0 |
0 |
0 |
0.062 |
27 |
30 |
|
[SO4]A:503 |
4 |
1 |
187 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
9 |
3 |
22704 |
51.7 |
-7.0 |
0.705 |
1 |
0 |
0 |
0.000 |
28 |
31 |
|
[PO4]C:101 |
4 |
1 |
176 |
cf |
C |
x,y,z |
1_555 |
7 |
1 |
2813 |
49.1 |
-0.4 |
0.602 |
0 |
0 |
0 |
0.004 |
29 |
32 |
|
[PO4]D:101 |
4 |
1 |
175 |
cf |
D |
x,y,z |
1_555 |
4 |
1 |
2807 |
48.4 |
-0.3 |
0.581 |
0 |
0 |
0 |
0.003 |
30 |
33 |
|
[IPA]A:505 |
3 |
1 |
199 |
f |
C |
x,y,z |
1_555 |
10 |
1 |
2813 |
36.4 |
1.9 |
0.727 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[ZN]A:504 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
22972 |
36.1 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.224 |
35 |
|
[ZN]B:505 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
22704 |
34.6 |
-23.1 |
0.000 |
0 |
0 |
0 |
0.224 |
Average: |
35.4 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.224 |
32 |
36 |
|
[IPA]B:507 |
3 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
7 |
1 |
2807 |
33.8 |
1.3 |
0.695 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
A |
7 |
2 |
22972 |
◊ |
[SO4]B:504 |
x-1,y,z |
1_455 |
3 |
1 |
187 |
33.3 |
-3.9 |
0.850 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[PO4]C:101 |
3 |
1 |
176 |
cf |
[ZN]A:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.124 |
39 |
|
[PO4]D:101 |
3 |
1 |
175 |
cf |
[ZN]B:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
26.5 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.124 |
35 |
40 |
|
[PO4]D:101 |
2 |
1 |
175 |
f |
[IPA]B:507 |
x,y,z |
1_555 |
3 |
1 |
198 |
22.3 |
0.1 |
0.968 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
A |
1 |
1 |
22972 |
x |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
22972 |
21.8 |
-0.6 |
0.173 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[SO4]B:503 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
2807 |
21.8 |
-2.3 |
0.775 |
0 |
0 |
0 |
0.022 |
38 |
43 |
|
[PO4]C:101 |
2 |
1 |
176 |
f |
[IPA]A:505 |
x,y,z |
1_555 |
2 |
1 |
199 |
21.4 |
-0.1 |
0.968 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[SO4]B:501 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
2813 |
15.5 |
-2.2 |
0.416 |
0 |
0 |
0 |
0.010 |
40 |
45 |
|
[SO4]B:501 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
2807 |
14.4 |
-2.0 |
0.307 |
0 |
0 |
0 |
0.019 |
41 |
46 |
|
[SO4]A:502 |
3 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2813 |
13.7 |
-1.2 |
0.752 |
0 |
0 |
0 |
0.012 |
42 |
47 |
|
[ZN]B:505 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
2807 |
12.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
48 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
2813 |
11.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
11.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.041 |
43 |
49 |
|
B |
2 |
1 |
22704 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
22972 |
3.0 |
-0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
|