| ## |
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 |
683 |
181 |
27437 |
◊ |
A |
x,y,z |
1_555 |
678 |
180 |
27359 |
6643.1 |
-37.5 |
0.240 |
91 |
40 |
0 |
0.423 |
| 2 |
2 |
|
B |
79 |
25 |
27437 |
x |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
83 |
25 |
27437 |
760.8 |
-4.5 |
0.403 |
2 |
5 |
0 |
0.000 |
3 |
|
A |
69 |
24 |
27359 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
73 |
22 |
27359 |
645.4 |
-4.5 |
0.381 |
2 |
5 |
0 |
0.000 |
| Average: |
703.1 |
-4.5 |
0.392 |
2 |
5 |
0 |
0.000 |
| 3 |
4 |
|
[R4A]A:705 |
35 |
1 |
971 |
f |
A |
x,y,z |
1_555 |
75 |
25 |
27359 |
516.0 |
-11.3 |
0.578 |
0 |
0 |
0 |
0.119 |
5 |
|
[R4A]B:705 |
36 |
1 |
980 |
f |
B |
x,y,z |
1_555 |
73 |
23 |
27437 |
493.1 |
-12.4 |
0.409 |
0 |
0 |
0 |
0.119 |
| Average: |
504.5 |
-11.9 |
0.494 |
0 |
0 |
0 |
0.119 |
| 4 |
6 |
|
A |
41 |
11 |
27359 |
◊ |
A |
-x,y,-z |
2_555 |
41 |
11 |
27359 |
404.7 |
-1.9 |
0.494 |
5 |
4 |
0 |
0.000 |
7 |
|
B |
39 |
11 |
27437 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
39 |
11 |
27437 |
372.6 |
-0.4 |
0.630 |
5 |
4 |
0 |
0.000 |
| Average: |
388.6 |
-1.2 |
0.562 |
5 |
4 |
0 |
0.000 |
| 5 |
8 |
|
[R4A]A:705 |
21 |
1 |
971 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
27437 |
179.6 |
-4.9 |
0.263 |
0 |
0 |
0 |
0.049 |
9 |
|
[R4A]B:705 |
21 |
1 |
980 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
27359 |
172.5 |
-4.8 |
0.304 |
0 |
0 |
0 |
0.049 |
| Average: |
176.0 |
-4.8 |
0.283 |
0 |
0 |
0 |
0.049 |
| 6 |
10 |
|
[GOL]B:720 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
27437 |
143.2 |
-0.1 |
0.599 |
5 |
0 |
0 |
0.012 |
| 7 |
11 |
|
[GOL]B:726 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
27437 |
122.9 |
0.2 |
0.568 |
2 |
0 |
0 |
0.003 |
| 8 |
12 |
|
[GOL]B:721 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
27437 |
116.0 |
-1.1 |
0.427 |
2 |
0 |
0 |
0.010 |
| 9 |
13 |
|
[SO4]B:710 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
27359 |
100.0 |
-12.5 |
0.795 |
1 |
0 |
0 |
0.065 |
| 10 |
14 |
|
[SO4]A:710 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
27437 |
99.3 |
-13.0 |
0.784 |
2 |
0 |
0 |
0.070 |
| 11 |
15 |
|
[GOL]B:723 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
27437 |
96.8 |
0.4 |
0.705 |
5 |
0 |
0 |
0.009 |
| 12 |
16 |
|
[GOL]A:723 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
27359 |
93.4 |
0.3 |
0.670 |
5 |
0 |
0 |
0.010 |
| 13 |
17 |
|
[GOL]A:725 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
27359 |
91.5 |
1.3 |
0.757 |
3 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[GOL]B:725 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
27437 |
89.5 |
1.3 |
0.764 |
2 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[GOL]B:725 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
27359 |
76.5 |
-1.2 |
0.362 |
0 |
0 |
0 |
0.006 |
| 16 |
20 |
|
[GOL]A:725 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
15 |
3 |
27437 |
76.4 |
-1.5 |
0.332 |
0 |
0 |
0 |
0.007 |
| 17 |
21 |
|
[CU]A:701 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
27359 |
66.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.133 |
22 |
|
[CU]B:701 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
27437 |
65.3 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.133 |
| Average: |
66.1 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.133 |
| 18 |
23 |
|
[SO4]B:710 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
27437 |
49.4 |
-6.0 |
0.869 |
2 |
0 |
0 |
0.035 |
| 19 |
24 |
|
[SO4]A:710 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
27359 |
46.6 |
-5.4 |
0.866 |
1 |
0 |
0 |
0.030 |
| 20 |
25 |
|
[GOL]B:721 |
2 |
1 |
218 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
6 |
1 |
27437 |
37.3 |
-0.3 |
0.519 |
1 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[GOL]B:726 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
27359 |
36.8 |
0.2 |
0.621 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[GOL]B:725 |
3 |
1 |
221 |
f |
[SO4]A:710 |
x,y,z |
1_555 |
3 |
1 |
185 |
20.2 |
-1.8 |
0.779 |
1 |
0 |
0 |
0.011 |
| 23 |
28 |
|
[GOL]A:725 |
3 |
1 |
220 |
f |
[SO4]B:710 |
x,y,z |
1_555 |
1 |
1 |
185 |
17.1 |
-1.7 |
0.775 |
1 |
0 |
0 |
0.011 |
| 24 |
29 |
|
[GOL]B:725 |
2 |
1 |
221 |
◊ |
[GOL]A:725 |
x,y,z |
1_555 |
2 |
1 |
220 |
6.5 |
0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[GOL]B:720 |
1 |
1 |
220 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
27437 |
2.6 |
0.1 |
0.612 |
0 |
0 |
0 |
0.000 |
|