## |
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 |
193 |
46 |
10685 |
◊ |
A |
x,y,z |
1_555 |
210 |
60 |
17909 |
1766.4 |
-12.6 |
0.256 |
29 |
9 |
0 |
0.467 |
2 |
|
F |
191 |
43 |
10691 |
◊ |
E |
x,y,z |
1_555 |
207 |
58 |
17876 |
1755.8 |
-12.9 |
0.232 |
28 |
7 |
0 |
0.467 |
3 |
|
D |
192 |
46 |
10654 |
◊ |
C |
x,y,z |
1_555 |
212 |
60 |
17983 |
1748.4 |
-11.6 |
0.296 |
33 |
8 |
0 |
0.467 |
Average: |
1756.9 |
-12.4 |
0.261 |
30 |
8 |
0 |
0.467 |
2 |
4 |
|
E |
174 |
45 |
17876 |
◊ |
C |
x,y,z |
1_555 |
176 |
43 |
17983 |
1618.7 |
-7.7 |
0.353 |
34 |
20 |
0 |
0.437 |
5 |
|
E |
176 |
42 |
17876 |
◊ |
A |
x,y,z |
1_555 |
173 |
44 |
17909 |
1608.9 |
-9.0 |
0.298 |
35 |
21 |
0 |
0.437 |
6 |
|
C |
168 |
44 |
17983 |
◊ |
A |
x,y,z |
1_555 |
173 |
40 |
17909 |
1594.8 |
-7.4 |
0.332 |
31 |
17 |
0 |
0.437 |
Average: |
1607.5 |
-8.0 |
0.328 |
33 |
19 |
0 |
0.437 |
3 |
7 |
|
F |
168 |
41 |
10691 |
◊ |
D |
x,y,z |
1_555 |
147 |
43 |
10654 |
1428.2 |
-10.2 |
0.208 |
21 |
10 |
0 |
1.000 |
8 |
|
D |
161 |
41 |
10654 |
◊ |
B |
x,y,z |
1_555 |
153 |
43 |
10685 |
1420.8 |
-10.5 |
0.204 |
22 |
10 |
0 |
1.000 |
9 |
|
F |
150 |
42 |
10691 |
◊ |
B |
x,y,z |
1_555 |
166 |
41 |
10685 |
1411.6 |
-10.9 |
0.197 |
22 |
10 |
0 |
1.000 |
Average: |
1420.2 |
-10.5 |
0.203 |
22 |
10 |
0 |
1.000 |
4 |
10 |
|
C |
78 |
24 |
17983 |
◊ |
A |
-y+1/2,x+1/2,z-1/4 |
3_554 |
77 |
23 |
17909 |
607.3 |
2.1 |
0.797 |
11 |
1 |
0 |
0.000 |
5 |
11 |
|
E |
40 |
16 |
17876 |
◊ |
D |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
43 |
12 |
10654 |
334.9 |
-1.3 |
0.534 |
3 |
0 |
0 |
0.000 |
6 |
12 |
|
B |
34 |
7 |
10685 |
◊ |
E |
x,y,z |
1_555 |
36 |
12 |
17876 |
318.2 |
0.8 |
0.633 |
9 |
6 |
0 |
0.037 |
13 |
|
D |
33 |
8 |
10654 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
17909 |
316.9 |
1.0 |
0.654 |
10 |
6 |
0 |
0.037 |
14 |
|
F |
35 |
8 |
10691 |
◊ |
C |
x,y,z |
1_555 |
38 |
12 |
17983 |
309.6 |
1.0 |
0.683 |
9 |
6 |
0 |
0.037 |
Average: |
314.9 |
0.9 |
0.657 |
9 |
6 |
0 |
0.037 |
7 |
15 |
|
E |
39 |
12 |
17876 |
◊ |
E |
-y,-x,-z+1/2 |
8_555 |
40 |
12 |
17876 |
310.3 |
-1.3 |
0.505 |
0 |
0 |
0 |
0.000 |
8 |
16 |
|
B |
14 |
3 |
10685 |
◊ |
B |
y,x,-z+1 |
7_556 |
14 |
3 |
10685 |
118.9 |
-1.5 |
0.394 |
0 |
0 |
0 |
0.000 |
9 |
17 |
|
[FES]A:500 |
4 |
1 |
235 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17909 |
113.5 |
-15.0 |
0.616 |
2 |
0 |
0 |
0.281 |
18 |
|
[FES]E:500 |
4 |
1 |
236 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
17876 |
113.4 |
-15.0 |
0.620 |
3 |
0 |
0 |
0.281 |
19 |
|
[FES]C:500 |
4 |
1 |
234 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
17983 |
113.2 |
-14.9 |
0.620 |
3 |
0 |
0 |
0.281 |
Average: |
113.4 |
-15.0 |
0.619 |
3 |
0 |
0 |
0.281 |
10 |
20 |
|
C |
8 |
6 |
17983 |
◊ |
E |
-y,-x+1,-z+1/2 |
8_565 |
11 |
5 |
17876 |
78.6 |
-0.6 |
0.469 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
[FE2]A:600 |
1 |
1 |
137 |
cf |
A |
x,y,z |
1_555 |
11 |
7 |
17909 |
73.5 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.265 |
22 |
|
[FE2]E:600 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
17876 |
73.2 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.265 |
23 |
|
[FE2]C:600 |
1 |
1 |
137 |
cf |
C |
x,y,z |
1_555 |
11 |
7 |
17983 |
72.5 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.265 |
Average: |
73.1 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.265 |
12 |
24 |
|
E |
10 |
5 |
17876 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
6 |
3 |
17909 |
60.2 |
0.8 |
0.688 |
1 |
1 |
0 |
0.000 |
13 |
25 |
|
[FE2]B:700 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10685 |
42.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.183 |
26 |
|
[FE2]B:700 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10654 |
41.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.183 |
27 |
|
[FE2]B:700 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
10691 |
41.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.183 |
Average: |
41.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.183 |
14 |
28 |
|
F |
3 |
1 |
10691 |
◊ |
D |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
4 |
1 |
10654 |
38.0 |
-0.8 |
0.249 |
0 |
0 |
0 |
0.000 |
15 |
29 |
|
[FES]E:500 |
3 |
1 |
236 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
17909 |
20.6 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.026 |
30 |
|
[FES]C:500 |
3 |
1 |
234 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
17876 |
20.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.026 |
31 |
|
[FES]A:500 |
3 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17983 |
20.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
20.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.026 |
16 |
32 |
|
B |
2 |
2 |
10685 |
◊ |
C |
-x+1/2,y-1/2,-z+3/4 |
5_545 |
4 |
2 |
17983 |
16.3 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
17 |
33 |
|
[FE2]A:600 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
17876 |
1.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
34 |
|
[FE2]E:600 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17983 |
1.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
1.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|