## |
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 |
|
A |
60 |
15 |
16216 |
◊ |
B |
z+1/2,x+1/2,y-1/2 |
17_554 |
59 |
15 |
16073 |
532.4 |
-1.1 |
0.518 |
10 |
2 |
0 |
0.000 |
2 |
2 |
|
B |
59 |
17 |
16073 |
◊ |
A |
x,y,z |
1_555 |
61 |
17 |
16216 |
514.1 |
-4.1 |
0.257 |
2 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
41 |
12 |
16216 |
◊ |
B |
-z-1/2,-x+1/2,y-1/2 |
19_454 |
46 |
15 |
16073 |
387.9 |
1.4 |
0.741 |
5 |
5 |
0 |
0.000 |
4 |
|
A |
42 |
12 |
16216 |
◊ |
B |
-z-1/2,x+1/2,-y-1/2 |
20_454 |
37 |
11 |
16073 |
343.3 |
1.4 |
0.723 |
4 |
5 |
0 |
0.000 |
Average: |
365.6 |
1.4 |
0.732 |
5 |
5 |
0 |
0.000 |
4 |
5 |
|
[GOL]A:505 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
16216 |
138.7 |
-0.8 |
0.458 |
5 |
0 |
0 |
0.007 |
5 |
6 |
|
[GOL]B:504 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
16073 |
135.5 |
-0.5 |
0.521 |
4 |
0 |
0 |
0.005 |
6 |
7 |
|
[GOL]A:504 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
16216 |
125.0 |
-1.0 |
0.479 |
4 |
0 |
0 |
0.006 |
7 |
8 |
|
[GOL]A:506 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16216 |
120.1 |
-1.6 |
0.297 |
3 |
0 |
0 |
0.006 |
8 |
9 |
|
[GOL]A:502 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
20 |
11 |
16216 |
119.5 |
-1.2 |
0.349 |
2 |
0 |
0 |
0.006 |
10 |
|
[GOL]B:502 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
16073 |
118.8 |
-1.3 |
0.364 |
3 |
0 |
0 |
0.006 |
Average: |
119.2 |
-1.2 |
0.356 |
3 |
0 |
0 |
0.006 |
9 |
11 |
|
[GOL]B:503 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
16073 |
117.9 |
-1.6 |
0.256 |
3 |
0 |
0 |
0.007 |
10 |
12 |
|
[GOL]B:507 |
6 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
16073 |
116.8 |
-0.8 |
0.415 |
3 |
0 |
0 |
0.005 |
11 |
13 |
|
[GOL]A:503 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
14 |
16216 |
115.0 |
-1.7 |
0.253 |
3 |
0 |
0 |
0.007 |
12 |
14 |
|
[GOL]A:501 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
16216 |
114.0 |
-0.1 |
0.572 |
6 |
0 |
0 |
0.007 |
15 |
|
[GOL]B:501 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
27 |
12 |
16073 |
113.4 |
-0.1 |
0.581 |
6 |
0 |
0 |
0.007 |
Average: |
113.7 |
-0.1 |
0.577 |
6 |
0 |
0 |
0.007 |
13 |
16 |
|
[GOL]B:506 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16073 |
102.8 |
0.2 |
0.612 |
7 |
0 |
0 |
0.007 |
14 |
17 |
|
B |
18 |
8 |
16073 |
f |
[GOL]A:507 |
z,-x,-y |
6_555 |
6 |
1 |
224 |
98.0 |
-1.7 |
0.285 |
2 |
0 |
0 |
0.006 |
15 |
18 |
|
B |
15 |
5 |
16073 |
◊ |
A |
z,-x,-y |
6_555 |
13 |
5 |
16216 |
97.9 |
1.3 |
0.799 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[GOL]B:508 |
6 |
1 |
226 |
f |
A |
z,-x,-y |
6_555 |
15 |
6 |
16216 |
96.9 |
-0.5 |
0.400 |
2 |
0 |
0 |
0.003 |
17 |
20 |
|
[SO4]A:510 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16216 |
95.4 |
-14.6 |
0.889 |
6 |
0 |
0 |
0.038 |
18 |
21 |
|
[SO4]B:511 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
16073 |
94.5 |
-15.4 |
0.644 |
7 |
0 |
0 |
0.043 |
19 |
22 |
|
[GOL]B:505 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
16073 |
82.6 |
1.1 |
0.787 |
3 |
0 |
0 |
0.000 |
20 |
23 |
|
[NI]A:509 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
16216 |
41.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.010 |
24 |
|
[NI]B:509 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
16073 |
40.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
41.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.010 |
21 |
25 |
|
[GOL]A:503 |
4 |
1 |
219 |
f |
[GOL]A:502 |
x,y,z |
1_555 |
4 |
1 |
218 |
40.3 |
0.1 |
0.617 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[GOL]B:503 |
4 |
1 |
221 |
f |
[GOL]B:502 |
x,y,z |
1_555 |
5 |
1 |
218 |
39.6 |
0.4 |
0.642 |
3 |
0 |
0 |
0.002 |
23 |
27 |
|
[NI]A:508 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
16216 |
39.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.009 |
24 |
28 |
|
[NI]B:510 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
16073 |
38.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[NI]B:510 |
1 |
1 |
115 |
◊ |
A |
z,-x,-y |
6_555 |
5 |
3 |
16216 |
38.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
38.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[GOL]A:503 |
5 |
1 |
219 |
f |
[GOL]A:501 |
x,y,z |
1_555 |
5 |
1 |
218 |
34.9 |
0.2 |
0.563 |
1 |
0 |
0 |
0.000 |
26 |
31 |
|
[GOL]B:503 |
5 |
1 |
221 |
f |
[GOL]B:501 |
x,y,z |
1_555 |
5 |
1 |
217 |
34.3 |
0.1 |
0.559 |
1 |
0 |
0 |
0.000 |
27 |
32 |
|
[GOL]B:502 |
3 |
1 |
218 |
f |
[GOL]B:501 |
x,y,z |
1_555 |
4 |
1 |
217 |
30.2 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
33 |
|
[GOL]A:502 |
4 |
1 |
218 |
f |
[GOL]A:501 |
x,y,z |
1_555 |
4 |
1 |
218 |
28.5 |
0.0 |
0.603 |
1 |
0 |
0 |
0.000 |
Average: |
29.4 |
0.1 |
0.626 |
1 |
0 |
0 |
0.001 |
28 |
34 |
|
[GOL]A:504 |
2 |
1 |
215 |
◊ |
B |
-z-1/2,x+1/2,-y-1/2 |
20_454 |
5 |
1 |
16073 |
29.8 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[NI]B:510 |
1 |
1 |
115 |
◊ |
[GOL]B:508 |
x,y,z |
1_555 |
4 |
1 |
226 |
18.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
|
[NI]B:510 |
1 |
1 |
115 |
◊ |
[GOL]A:507 |
z,-x,-y |
6_555 |
3 |
1 |
224 |
16.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
A |
3 |
1 |
16216 |
◊ |
[GOL]B:504 |
-z-1/2,-x+1/2,y-1/2 |
19_454 |
1 |
1 |
223 |
18.0 |
0.3 |
0.604 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
A |
4 |
3 |
16216 |
◊ |
A |
-x,y,-z-1 |
3_554 |
4 |
3 |
16216 |
10.4 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
1 |
1 |
16073 |
◊ |
B |
-x,y,-z-1 |
3_554 |
1 |
1 |
16073 |
0.6 |
-0.0 |
0.544 |
0 |
0 |
0 |
0.000 |
Average: |
5.5 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[GOL]A:507 |
2 |
1 |
224 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
16216 |
9.9 |
0.2 |
0.660 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[GOL]B:508 |
2 |
1 |
226 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16073 |
8.2 |
0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
A |
1 |
1 |
16216 |
◊ |
[SO4]B:511 |
-z-1/2,-x+1/2,y-1/2 |
19_454 |
1 |
1 |
186 |
4.7 |
-0.5 |
0.792 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[SO4]A:510 |
1 |
1 |
184 |
◊ |
B |
-z-1/2,x+1/2,-y-1/2 |
20_454 |
1 |
1 |
16073 |
4.2 |
-0.5 |
0.876 |
0 |
0 |
0 |
0.000 |
|