## |
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 |
452 |
118 |
23447 |
◊ |
A |
x,y,z |
1_555 |
448 |
116 |
23195 |
4433.2 |
-54.4 |
0.015 |
66 |
27 |
0 |
1.000 |
2 |
2 |
|
B |
361 |
97 |
23447 |
◊ |
B |
-x+y+1,y,-z-1/2 |
11_654 |
361 |
98 |
23447 |
3422.9 |
-39.5 |
0.037 |
44 |
14 |
0 |
1.000 |
3 |
|
A |
351 |
96 |
23195 |
◊ |
A |
-x+y+1,y,-z-1/2 |
11_654 |
349 |
96 |
23195 |
3383.8 |
-39.6 |
0.042 |
46 |
16 |
0 |
1.000 |
Average: |
3403.4 |
-39.5 |
0.039 |
45 |
15 |
0 |
1.000 |
3 |
4 |
|
[FAD]A:601 |
46 |
1 |
967 |
f |
A |
x,y,z |
1_555 |
67 |
23 |
23195 |
517.1 |
-5.6 |
0.541 |
8 |
0 |
0 |
0.474 |
5 |
|
[FAD]B:601 |
46 |
1 |
967 |
f |
B |
x,y,z |
1_555 |
74 |
25 |
23447 |
503.5 |
-5.4 |
0.536 |
8 |
0 |
0 |
0.474 |
Average: |
510.3 |
-5.5 |
0.538 |
8 |
0 |
0 |
0.474 |
4 |
6 |
|
B |
47 |
14 |
23447 |
◊ |
A |
-x+y+1,y,-z-1/2 |
11_654 |
41 |
13 |
23195 |
475.8 |
-11.2 |
0.004 |
1 |
2 |
0 |
0.095 |
5 |
7 |
|
A |
38 |
13 |
23195 |
◊ |
B |
y,x-1,-z-1/3 |
7_544 |
36 |
13 |
23447 |
360.2 |
4.8 |
0.965 |
6 |
2 |
0 |
0.000 |
6 |
8 |
|
[FAD]A:601 |
35 |
1 |
967 |
◊ |
A |
-x+y+1,y,-z-1/2 |
11_654 |
32 |
9 |
23195 |
263.9 |
-4.0 |
0.325 |
4 |
0 |
0 |
0.301 |
9 |
|
[FAD]B:601 |
34 |
1 |
967 |
◊ |
B |
-x+y+1,y,-z-1/2 |
11_654 |
31 |
9 |
23447 |
253.7 |
-3.9 |
0.305 |
4 |
0 |
0 |
0.301 |
Average: |
258.8 |
-3.9 |
0.315 |
4 |
0 |
0 |
0.301 |
7 |
10 |
|
B |
26 |
6 |
23447 |
◊ |
A |
x-y,-y,-z |
8_555 |
34 |
9 |
23195 |
253.9 |
0.3 |
0.640 |
4 |
4 |
0 |
0.000 |
8 |
11 |
|
A |
24 |
8 |
23195 |
◊ |
B |
x-y,x-1,z-1/6 |
6_544 |
28 |
8 |
23447 |
244.3 |
0.3 |
0.738 |
4 |
0 |
0 |
0.000 |
9 |
12 |
|
B |
22 |
6 |
23447 |
◊ |
A |
x-y,x,z-1/6 |
6_554 |
21 |
8 |
23195 |
228.7 |
-0.0 |
0.567 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[EPE]B:602 |
14 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
23447 |
200.0 |
6.5 |
0.175 |
4 |
0 |
0 |
0.000 |
11 |
14 |
|
[PGE]A:602 |
10 |
1 |
327 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
23195 |
169.3 |
3.2 |
0.229 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
[PEG]B:609 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
23447 |
152.3 |
3.7 |
0.476 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[PEG]A:611 |
7 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
23447 |
142.0 |
3.3 |
0.395 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[PGE]B:603 |
10 |
1 |
328 |
◊ |
B |
x,y,z |
1_555 |
21 |
6 |
23447 |
141.8 |
4.2 |
0.302 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[PEG]B:607 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
23447 |
139.0 |
3.4 |
0.433 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]B:606 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
23447 |
138.4 |
5.0 |
0.552 |
3 |
0 |
0 |
0.000 |
17 |
20 |
|
[PEG]A:606 |
6 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
23195 |
138.3 |
5.2 |
0.656 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
[PEG]A:607 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
23195 |
132.8 |
2.3 |
0.280 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[PGE]B:604 |
8 |
1 |
321 |
◊ |
B |
x,y,z |
1_555 |
20 |
8 |
23447 |
130.2 |
2.5 |
0.241 |
2 |
0 |
0 |
0.000 |
20 |
23 |
|
[PGE]A:603 |
10 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
23447 |
120.6 |
3.5 |
0.233 |
0 |
0 |
0 |
0.000 |
24 |
|
[PGE]B:605 |
10 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
23195 |
117.2 |
3.6 |
0.242 |
0 |
0 |
0 |
0.000 |
Average: |
118.9 |
3.6 |
0.238 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[PEG]A:609 |
7 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
23195 |
116.8 |
3.9 |
0.471 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[PEG]B:610 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
23447 |
116.1 |
3.9 |
0.413 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
B |
15 |
4 |
23447 |
◊ |
[PEG]A:608 |
x-y,x,z-1/6 |
6_554 |
7 |
1 |
258 |
110.5 |
3.1 |
0.351 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[PGE]B:605 |
10 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
23447 |
100.8 |
2.9 |
0.155 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[PGE]A:603 |
10 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
23195 |
99.5 |
3.3 |
0.175 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
A |
7 |
1 |
23195 |
x |
A |
x-y,x,z-1/6 |
6_554 |
12 |
5 |
23195 |
99.3 |
0.3 |
0.713 |
3 |
0 |
0 |
0.000 |
27 |
31 |
|
[PEG]A:610 |
6 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
23195 |
96.1 |
1.2 |
0.235 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[PEG]A:604 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
23195 |
93.1 |
1.6 |
0.226 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[PEG]A:604 |
6 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
23447 |
89.3 |
2.2 |
0.296 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[PGE]B:603 |
7 |
1 |
328 |
◊ |
A |
x-y,-y,-z |
8_555 |
13 |
4 |
23195 |
83.8 |
2.6 |
0.268 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[FAD]A:601 |
12 |
1 |
967 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
23447 |
68.4 |
1.2 |
0.808 |
1 |
0 |
0 |
0.000 |
36 |
|
[FAD]B:601 |
12 |
1 |
967 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
23195 |
68.1 |
1.1 |
0.807 |
1 |
0 |
0 |
0.000 |
Average: |
68.2 |
1.2 |
0.808 |
1 |
0 |
0 |
0.000 |
32 |
37 |
|
[PEG]B:608 |
6 |
1 |
261 |
f |
A |
-x+y+1,y,-z-1/2 |
11_654 |
9 |
4 |
23195 |
60.2 |
1.6 |
0.265 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
[PEG]A:605 |
6 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
23447 |
59.7 |
1.7 |
0.269 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[PEG]A:605 |
5 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
23195 |
59.2 |
2.1 |
0.371 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[PEG]A:608 |
6 |
1 |
258 |
f |
B |
y,x-1,-z-1/3 |
7_544 |
13 |
6 |
23447 |
59.0 |
0.8 |
0.217 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
[PEG]B:608 |
5 |
1 |
261 |
◊ |
B |
-x+y+1,y,-z-1/2 |
11_654 |
6 |
2 |
23447 |
57.5 |
2.0 |
0.370 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[PEG]A:608 |
6 |
1 |
258 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
23195 |
56.8 |
2.0 |
0.258 |
2 |
0 |
0 |
0.000 |
38 |
43 |
|
[PGE]A:602 |
5 |
1 |
327 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
23447 |
55.2 |
1.6 |
0.274 |
1 |
0 |
0 |
0.000 |
39 |
44 |
|
A |
7 |
2 |
23195 |
◊ |
[PEG]A:610 |
x-y,x,z-1/6 |
6_554 |
5 |
1 |
259 |
52.9 |
1.8 |
0.293 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[PEG]A:611 |
4 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
23195 |
50.6 |
1.4 |
0.366 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[PGE]B:604 |
6 |
1 |
321 |
◊ |
[FAD]B:601 |
x,y,z |
1_555 |
4 |
1 |
967 |
49.8 |
1.9 |
0.207 |
1 |
0 |
0 |
0.000 |
42 |
47 |
|
[PEG]B:608 |
4 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
23447 |
42.2 |
1.3 |
0.380 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[EPE]B:602 |
4 |
1 |
399 |
◊ |
[EPE]B:602 |
x-y,-y,-z |
8_555 |
4 |
1 |
399 |
42.2 |
2.1 |
0.078 |
1 |
0 |
0 |
0.000 |
44 |
49 |
|
[EPE]B:602 |
4 |
1 |
399 |
f |
B |
x-y,-y,-z |
8_555 |
4 |
3 |
23447 |
39.0 |
0.8 |
0.169 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
[PEG]A:605 |
6 |
1 |
260 |
◊ |
A |
-x+y+1,y,-z-1/2 |
11_654 |
8 |
3 |
23195 |
38.1 |
1.1 |
0.229 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[EPE]B:602 |
4 |
1 |
399 |
f |
[PGE]B:603 |
x,y,z |
1_555 |
4 |
1 |
328 |
37.3 |
1.4 |
0.046 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[PGE]B:604 |
5 |
1 |
321 |
f |
B |
-x+y+1,y,-z-1/2 |
11_654 |
2 |
1 |
23447 |
32.8 |
0.3 |
0.083 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[PEG]A:609 |
2 |
1 |
258 |
f |
[PEG]A:607 |
x,y,z |
1_555 |
3 |
1 |
257 |
24.6 |
1.5 |
0.268 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[PGE]B:604 |
2 |
1 |
321 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
23195 |
21.3 |
0.3 |
0.330 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[PEG]B:610 |
2 |
1 |
257 |
f |
B |
-x+y+1,y,-z-1/2 |
11_654 |
3 |
2 |
23447 |
19.8 |
-0.4 |
0.183 |
0 |
0 |
0 |
0.019 |
51 |
56 |
|
[PGE]B:603 |
1 |
1 |
328 |
◊ |
[PGE]A:602 |
x-y,-y,-z |
8_555 |
2 |
1 |
327 |
17.5 |
0.5 |
0.190 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
B |
5 |
3 |
23447 |
◊ |
B |
x-y,-y,-z |
8_555 |
5 |
3 |
23447 |
12.1 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[PEG]B:610 |
1 |
1 |
257 |
◊ |
[PEG]B:608 |
-x+y+1,y,-z-1/2 |
11_654 |
1 |
1 |
261 |
8.7 |
0.1 |
0.202 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
[PGE]A:602 |
2 |
1 |
327 |
f |
B |
x-y,-y,-z |
8_555 |
2 |
1 |
23447 |
8.3 |
0.3 |
0.288 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[PEG]A:607 |
1 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
23447 |
5.0 |
0.2 |
0.414 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
A |
1 |
1 |
23195 |
f |
[PEG]A:605 |
y,x-1,-z-1/3 |
7_544 |
1 |
1 |
260 |
2.1 |
0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
|