## |
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 |
|
D |
204 |
60 |
27934 |
◊ |
A |
x,y,z |
1_555 |
204 |
59 |
28118 |
1926.4 |
-5.2 |
0.671 |
26 |
8 |
0 |
0.286 |
2 |
2 |
|
C |
190 |
53 |
8718 |
◊ |
A |
x,y,z |
1_555 |
208 |
60 |
28118 |
1887.4 |
-19.3 |
0.042 |
25 |
9 |
0 |
0.383 |
3 |
|
F |
192 |
53 |
8239 |
◊ |
D |
x,y,z |
1_555 |
210 |
59 |
27934 |
1882.9 |
-19.2 |
0.048 |
25 |
9 |
0 |
0.383 |
Average: |
1885.1 |
-19.2 |
0.045 |
25 |
9 |
0 |
0.383 |
3 |
4 |
|
E |
144 |
36 |
14544 |
◊ |
D |
x,y,z |
1_555 |
154 |
47 |
27934 |
1559.4 |
-9.5 |
0.342 |
22 |
7 |
0 |
0.262 |
5 |
|
B |
147 |
36 |
14524 |
◊ |
A |
x,y,z |
1_555 |
152 |
47 |
28118 |
1553.3 |
-9.4 |
0.350 |
21 |
7 |
0 |
0.262 |
Average: |
1556.4 |
-9.4 |
0.346 |
22 |
7 |
0 |
0.262 |
4 |
6 |
|
C |
137 |
37 |
8718 |
◊ |
B |
x,y,z |
1_555 |
118 |
33 |
14524 |
1296.1 |
-3.6 |
0.565 |
20 |
14 |
0 |
0.169 |
7 |
|
F |
139 |
37 |
8239 |
◊ |
E |
x,y,z |
1_555 |
119 |
33 |
14544 |
1295.6 |
-3.5 |
0.614 |
20 |
14 |
0 |
0.169 |
Average: |
1295.8 |
-3.6 |
0.590 |
20 |
14 |
0 |
0.169 |
5 |
8 |
|
[FAD]E:1901 |
52 |
1 |
991 |
f |
E |
x,y,z |
1_555 |
100 |
39 |
14544 |
678.9 |
-8.1 |
0.454 |
23 |
0 |
0 |
0.245 |
9 |
|
[FAD]B:1900 |
52 |
1 |
986 |
f |
B |
x,y,z |
1_555 |
98 |
38 |
14524 |
678.0 |
-8.2 |
0.446 |
23 |
0 |
0 |
0.245 |
Average: |
678.4 |
-8.2 |
0.450 |
23 |
0 |
0 |
0.245 |
6 |
10 |
|
[PCD]A:1920 |
47 |
1 |
905 |
f |
A |
x,y,z |
1_555 |
106 |
40 |
28118 |
618.0 |
-8.1 |
0.416 |
17 |
0 |
0 |
0.505 |
11 |
|
[PCD]D:1921 |
47 |
1 |
900 |
f |
D |
x,y,z |
1_555 |
106 |
40 |
27934 |
615.5 |
-8.0 |
0.428 |
18 |
0 |
0 |
0.505 |
Average: |
616.8 |
-8.1 |
0.422 |
18 |
0 |
0 |
0.505 |
7 |
12 |
|
A |
47 |
13 |
28118 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
37 |
12 |
28118 |
394.9 |
1.0 |
0.758 |
6 |
3 |
0 |
0.000 |
8 |
13 |
|
E |
34 |
14 |
14544 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
26 |
5 |
8718 |
307.3 |
0.6 |
0.673 |
6 |
3 |
0 |
0.000 |
9 |
14 |
|
F |
29 |
10 |
8239 |
◊ |
A |
x,y,z |
1_555 |
36 |
14 |
28118 |
284.8 |
-1.7 |
0.384 |
1 |
0 |
0 |
0.020 |
15 |
|
C |
30 |
10 |
8718 |
◊ |
D |
x,y,z |
1_555 |
34 |
14 |
27934 |
279.9 |
-1.6 |
0.359 |
1 |
0 |
0 |
0.020 |
Average: |
282.3 |
-1.7 |
0.372 |
1 |
0 |
0 |
0.020 |
10 |
16 |
|
[EPE]A:1111 |
14 |
1 |
414 |
◊ |
A |
x,y,z |
1_555 |
43 |
16 |
28118 |
258.8 |
5.5 |
0.240 |
3 |
0 |
0 |
0.000 |
11 |
17 |
|
F |
28 |
6 |
8239 |
◊ |
C |
x,y,z |
1_555 |
29 |
7 |
8718 |
253.9 |
-2.2 |
0.402 |
2 |
0 |
0 |
0.015 |
12 |
18 |
|
D |
23 |
10 |
27934 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
26 |
7 |
14524 |
224.2 |
-1.9 |
0.394 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
[SF4]E:1911 |
8 |
1 |
305 |
f |
E |
x,y,z |
1_555 |
27 |
13 |
14544 |
181.9 |
-21.3 |
0.406 |
0 |
0 |
0 |
0.209 |
14 |
20 |
|
[SF4]B:1910 |
8 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
14524 |
179.5 |
-21.1 |
0.407 |
0 |
0 |
0 |
0.280 |
15 |
21 |
|
E |
18 |
7 |
14544 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
21 |
9 |
27934 |
138.5 |
-0.8 |
0.504 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
A |
15 |
4 |
28118 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
4 |
27934 |
121.8 |
-1.3 |
0.362 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[FES]C:1908 |
4 |
1 |
239 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
8718 |
121.1 |
-15.8 |
0.557 |
1 |
0 |
0 |
0.197 |
24 |
|
[FES]F:1918 |
4 |
1 |
236 |
f |
F |
x,y,z |
1_555 |
15 |
9 |
8239 |
118.3 |
-15.5 |
0.577 |
1 |
0 |
0 |
0.197 |
Average: |
119.7 |
-15.7 |
0.567 |
1 |
0 |
0 |
0.197 |
18 |
25 |
|
[FES]F:1917 |
4 |
1 |
237 |
f |
F |
x,y,z |
1_555 |
19 |
13 |
8239 |
111.3 |
-13.5 |
0.504 |
2 |
0 |
0 |
0.172 |
26 |
|
[FES]C:1907 |
4 |
1 |
237 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
8718 |
109.4 |
-13.4 |
0.497 |
2 |
0 |
0 |
0.172 |
Average: |
110.3 |
-13.4 |
0.501 |
2 |
0 |
0 |
0.172 |
19 |
27 |
|
E |
10 |
3 |
14544 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
28118 |
101.8 |
-0.4 |
0.283 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[SO4]E:1113 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
14544 |
96.2 |
-15.0 |
0.596 |
2 |
0 |
0 |
0.156 |
21 |
29 |
|
[SO4]D:1112 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
27934 |
88.3 |
-12.7 |
0.792 |
1 |
0 |
0 |
0.209 |
22 |
30 |
|
[PCD]D:1921 |
4 |
1 |
900 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
8239 |
55.2 |
0.4 |
0.557 |
2 |
0 |
0 |
0.004 |
31 |
|
[PCD]A:1920 |
4 |
1 |
905 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
8718 |
55.0 |
0.5 |
0.548 |
1 |
0 |
0 |
0.004 |
Average: |
55.1 |
0.5 |
0.553 |
2 |
0 |
0 |
0.004 |
23 |
32 |
|
[FAD]E:1901 |
4 |
1 |
991 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
8239 |
53.8 |
-1.2 |
0.433 |
0 |
0 |
0 |
0.013 |
33 |
|
[FAD]B:1900 |
4 |
1 |
986 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8718 |
52.6 |
-1.1 |
0.434 |
0 |
0 |
0 |
0.013 |
Average: |
53.2 |
-1.2 |
0.434 |
0 |
0 |
0 |
0.013 |
24 |
34 |
|
[FES]C:1907 |
2 |
1 |
237 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
28118 |
47.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.046 |
35 |
|
[FES]F:1917 |
2 |
1 |
237 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
27934 |
46.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
47.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.046 |
25 |
36 |
|
[FAD]E:1901 |
6 |
1 |
991 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
27934 |
38.2 |
-0.4 |
0.245 |
0 |
0 |
0 |
0.006 |
37 |
|
[FAD]B:1900 |
6 |
1 |
986 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
28118 |
37.8 |
-0.4 |
0.252 |
0 |
0 |
0 |
0.006 |
Average: |
38.0 |
-0.4 |
0.248 |
0 |
0 |
0 |
0.006 |
26 |
38 |
|
[SO4]D:1112 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
8239 |
28.2 |
-2.9 |
0.893 |
0 |
0 |
0 |
0.030 |
27 |
39 |
|
F |
4 |
2 |
8239 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
5 |
14524 |
17.0 |
0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[FES]F:1918 |
3 |
1 |
236 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
14544 |
14.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
41 |
|
[FES]C:1908 |
3 |
1 |
239 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
14524 |
14.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
14.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
29 |
42 |
|
[FES]C:1907 |
2 |
1 |
237 |
◊ |
[PCD]A:1920 |
x,y,z |
1_555 |
2 |
1 |
905 |
9.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
43 |
|
[FES]F:1917 |
2 |
1 |
237 |
◊ |
[PCD]D:1921 |
x,y,z |
1_555 |
2 |
1 |
900 |
8.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
9.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
30 |
44 |
|
F |
1 |
1 |
8239 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
28118 |
8.9 |
0.5 |
0.889 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
E |
4 |
3 |
14544 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
28118 |
7.4 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[EPE]A:1111 |
1 |
1 |
414 |
f |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
28118 |
3.5 |
0.1 |
0.263 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[FES]C:1908 |
1 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
28118 |
3.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
48 |
|
[FES]F:1918 |
1 |
1 |
236 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
27934 |
2.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
3.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
|