## |
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 |
|
E |
71 |
21 |
12286 |
◊ |
A |
x,y,z-1 |
1_554 |
60 |
22 |
12327 |
609.2 |
-6.0 |
0.275 |
4 |
0 |
0 |
0.000 |
2 |
|
B |
57 |
19 |
12588 |
◊ |
F |
x-1,y,z |
1_455 |
52 |
19 |
12338 |
520.0 |
-4.5 |
0.280 |
2 |
0 |
0 |
0.000 |
Average: |
564.6 |
-5.3 |
0.278 |
3 |
0 |
0 |
0.000 |
2 |
3 |
|
F |
57 |
15 |
12338 |
◊ |
E |
x,y,z |
1_555 |
60 |
15 |
12286 |
557.5 |
-8.8 |
0.137 |
7 |
4 |
0 |
0.017 |
4 |
|
C |
60 |
16 |
12189 |
◊ |
D |
x-1,y,z |
1_455 |
57 |
14 |
12701 |
555.6 |
-8.9 |
0.150 |
8 |
2 |
0 |
0.017 |
5 |
|
B |
61 |
17 |
12588 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
12327 |
551.6 |
-8.8 |
0.155 |
8 |
3 |
0 |
0.017 |
Average: |
554.9 |
-8.8 |
0.147 |
8 |
3 |
0 |
0.017 |
3 |
6 |
|
D |
57 |
15 |
12701 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
59 |
15 |
12588 |
556.8 |
-9.9 |
0.100 |
2 |
2 |
0 |
0.014 |
7 |
|
E |
57 |
16 |
12286 |
◊ |
C |
x,y,z |
1_555 |
56 |
16 |
12189 |
532.7 |
-10.0 |
0.070 |
1 |
1 |
0 |
0.014 |
Average: |
544.7 |
-10.0 |
0.085 |
2 |
2 |
0 |
0.014 |
4 |
8 |
|
C |
48 |
15 |
12189 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
48 |
13 |
12588 |
433.1 |
-4.8 |
0.329 |
8 |
0 |
0 |
0.000 |
5 |
9 |
|
B |
28 |
11 |
12588 |
x |
B |
x-1,y,z |
1_455 |
32 |
9 |
12588 |
288.9 |
-8.0 |
0.030 |
1 |
0 |
0 |
0.000 |
10 |
|
D |
29 |
11 |
12701 |
x |
D |
x-1,y,z |
1_455 |
24 |
6 |
12701 |
276.1 |
-6.7 |
0.047 |
1 |
0 |
0 |
0.000 |
Average: |
282.5 |
-7.4 |
0.038 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
C |
31 |
8 |
12189 |
◊ |
E |
x-1,y,z |
1_455 |
22 |
7 |
12286 |
243.8 |
-4.1 |
0.224 |
0 |
1 |
0 |
0.000 |
7 |
12 |
|
E |
26 |
6 |
12286 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
23 |
6 |
12588 |
227.7 |
-1.3 |
0.514 |
0 |
2 |
0 |
0.000 |
8 |
13 |
|
F |
25 |
10 |
12338 |
x |
F |
x-1,y,z |
1_455 |
18 |
7 |
12338 |
200.5 |
-2.5 |
0.349 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
B |
16 |
7 |
12588 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
6 |
12327 |
157.5 |
-1.8 |
0.346 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
13 |
5 |
12701 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
13 |
6 |
12338 |
123.8 |
-2.4 |
0.222 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[SO4]B:302 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
12588 |
122.5 |
-18.8 |
0.773 |
3 |
0 |
0 |
0.060 |
12 |
17 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
12701 |
122.0 |
-18.8 |
0.775 |
3 |
0 |
0 |
0.063 |
13 |
18 |
|
[SO4]E:302 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
22 |
11 |
12286 |
121.2 |
-18.8 |
0.744 |
4 |
0 |
0 |
0.065 |
14 |
19 |
|
[SO4]F:302 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
20 |
9 |
12338 |
120.7 |
-17.2 |
0.840 |
3 |
0 |
0 |
0.062 |
15 |
20 |
|
[SO4]C:302 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
12189 |
120.3 |
-17.4 |
0.841 |
4 |
0 |
0 |
0.064 |
21 |
|
[SO4]A:302 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
12327 |
119.7 |
-18.6 |
0.757 |
4 |
0 |
0 |
0.064 |
Average: |
120.0 |
-18.0 |
0.799 |
4 |
0 |
0 |
0.064 |
16 |
22 |
|
D |
10 |
3 |
12701 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
3 |
12327 |
109.9 |
1.6 |
0.636 |
1 |
2 |
0 |
0.000 |
17 |
23 |
|
D |
11 |
3 |
12701 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
17 |
8 |
12338 |
107.0 |
-1.0 |
0.446 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
C |
13 |
4 |
12189 |
x |
C |
x-1,y,z |
1_455 |
13 |
4 |
12189 |
105.5 |
0.4 |
0.740 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
12 |
4 |
12327 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
12327 |
63.2 |
0.3 |
0.728 |
0 |
0 |
0 |
0.000 |
Average: |
84.4 |
0.4 |
0.734 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
D |
10 |
5 |
12701 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
12189 |
104.0 |
-1.6 |
0.297 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
C |
10 |
3 |
12189 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
6 |
12327 |
95.1 |
-0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
F |
9 |
2 |
12338 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
12327 |
93.2 |
-0.8 |
0.498 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
A |
8 |
3 |
12327 |
◊ |
D |
x-1,y,z+1 |
1_456 |
11 |
5 |
12701 |
89.5 |
-0.9 |
0.397 |
2 |
0 |
0 |
0.000 |
23 |
30 |
|
[GOL]E:303 |
5 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
13 |
7 |
12286 |
87.3 |
-0.0 |
0.608 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[GOL]E:303 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
12189 |
87.3 |
-0.6 |
0.508 |
1 |
0 |
0 |
0.003 |
25 |
32 |
|
[GOL]B:303 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
12588 |
86.2 |
-0.7 |
0.493 |
2 |
0 |
0 |
0.005 |
26 |
33 |
|
D |
13 |
7 |
12701 |
◊ |
[GOL]B:303 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
219 |
85.0 |
0.1 |
0.655 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
A |
10 |
4 |
12327 |
◊ |
E |
x-1,y,z+1 |
1_456 |
12 |
4 |
12286 |
74.7 |
-1.2 |
0.364 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[NI]C:301 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
12189 |
57.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.029 |
36 |
|
[NI]E:301 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
12286 |
57.3 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.029 |
37 |
|
[NI]F:301 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
12338 |
56.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.029 |
38 |
|
[NI]A:301 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
12327 |
56.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.029 |
39 |
|
[NI]B:301 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12588 |
56.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.029 |
40 |
|
[NI]D:301 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
12701 |
56.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
57.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.029 |
29 |
41 |
|
E |
5 |
1 |
12286 |
x |
E |
x-1,y,z |
1_455 |
12 |
4 |
12286 |
53.9 |
0.3 |
0.735 |
1 |
0 |
0 |
0.000 |
30 |
42 |
|
[SO4]D:302 |
3 |
1 |
185 |
f |
[NI]D:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
14.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.010 |
31 |
43 |
|
[SO4]B:302 |
2 |
1 |
185 |
f |
[NI]B:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
14.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.009 |
32 |
44 |
|
[SO4]A:302 |
1 |
1 |
184 |
f |
[NI]A:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
13.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.009 |
45 |
|
[SO4]C:302 |
1 |
1 |
184 |
f |
[NI]C:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
11.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
12.2 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.009 |
33 |
46 |
|
[SO4]F:302 |
2 |
1 |
184 |
f |
[NI]F:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
12.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.009 |
34 |
47 |
|
[SO4]E:302 |
1 |
1 |
186 |
f |
[NI]E:301 |
x,y,z |
1_555 |
1 |
1 |
115 |
11.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.008 |
35 |
48 |
|
C |
1 |
1 |
12189 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12338 |
0.1 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
|