| ## |
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 |
294 |
81 |
46453 |
◊ |
A |
x,y,z |
1_555 |
297 |
80 |
46406 |
2929.4 |
-13.4 |
0.432 |
51 |
24 |
0 |
0.172 |
| 2 |
2 |
|
A |
146 |
37 |
46406 |
◊ |
B |
x-1,y,z-1 |
1_454 |
150 |
38 |
46453 |
1455.6 |
-10.5 |
0.247 |
15 |
6 |
0 |
0.087 |
| 3 |
3 |
|
[FAD]A:1337 |
50 |
1 |
1014 |
f |
A |
x,y,z |
1_555 |
100 |
42 |
46406 |
699.8 |
-9.7 |
0.446 |
23 |
0 |
0 |
0.191 |
4 |
|
[FAD]B:1337 |
51 |
1 |
1014 |
f |
B |
x,y,z |
1_555 |
103 |
43 |
46453 |
692.2 |
-9.4 |
0.465 |
24 |
0 |
0 |
0.191 |
| Average: |
696.0 |
-9.5 |
0.455 |
24 |
0 |
0 |
0.191 |
| 4 |
5 |
|
[NAI]B:1338 |
42 |
1 |
864 |
f |
B |
x,y,z |
1_555 |
81 |
32 |
46453 |
562.7 |
-4.7 |
0.614 |
9 |
0 |
0 |
0.094 |
6 |
|
[NAI]A:1338 |
42 |
1 |
863 |
f |
A |
x,y,z |
1_555 |
79 |
34 |
46406 |
549.3 |
-7.3 |
0.395 |
8 |
0 |
0 |
0.094 |
| Average: |
556.0 |
-6.0 |
0.505 |
9 |
0 |
0 |
0.094 |
| 5 |
7 |
|
A |
33 |
11 |
46406 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
45 |
13 |
46453 |
406.1 |
-5.2 |
0.109 |
4 |
0 |
0 |
0.000 |
8 |
|
A |
44 |
14 |
46406 |
◊ |
B |
-x+1,y-1/2,-z+2 |
2_647 |
39 |
13 |
46453 |
386.4 |
-4.7 |
0.123 |
4 |
0 |
0 |
0.000 |
| Average: |
396.3 |
-4.9 |
0.116 |
4 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[MTE]A:1335 |
24 |
1 |
534 |
f |
A |
x,y,z |
1_555 |
63 |
22 |
46406 |
327.5 |
-8.0 |
0.455 |
11 |
0 |
0 |
0.121 |
10 |
|
[MTE]B:1335 |
24 |
1 |
533 |
f |
B |
x,y,z |
1_555 |
63 |
22 |
46453 |
326.4 |
-8.1 |
0.454 |
10 |
0 |
0 |
0.121 |
| Average: |
327.0 |
-8.0 |
0.454 |
11 |
0 |
0 |
0.121 |
| 7 |
11 |
|
A |
35 |
11 |
46406 |
◊ |
B |
x,y,z-1 |
1_554 |
32 |
11 |
46453 |
283.8 |
-2.4 |
0.379 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[SAL]B:1345 |
10 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
46453 |
181.8 |
4.1 |
0.510 |
5 |
0 |
0 |
0.000 |
13 |
|
[SAL]A:1344 |
10 |
1 |
275 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
46406 |
178.4 |
4.3 |
0.535 |
5 |
0 |
0 |
0.000 |
| Average: |
180.1 |
4.2 |
0.522 |
5 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[GOL]A:1340 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
46406 |
151.6 |
-0.7 |
0.522 |
3 |
0 |
0 |
0.019 |
15 |
|
[GOL]B:1339 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
46453 |
149.3 |
-0.7 |
0.518 |
3 |
0 |
0 |
0.019 |
| Average: |
150.5 |
-0.7 |
0.520 |
3 |
0 |
0 |
0.019 |
| 10 |
16 |
|
[GOL]A:1342 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
46406 |
145.7 |
-0.8 |
0.524 |
3 |
0 |
0 |
0.010 |
| 11 |
17 |
|
[GOL]B:1343 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
46453 |
143.3 |
-0.9 |
0.489 |
4 |
0 |
0 |
0.013 |
| 12 |
18 |
|
[GOL]B:1342 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
46453 |
142.9 |
-0.5 |
0.521 |
3 |
0 |
0 |
0.009 |
| 13 |
19 |
|
[GOL]A:1339 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
46406 |
142.6 |
-0.4 |
0.579 |
3 |
0 |
0 |
0.008 |
| 14 |
20 |
|
[GOL]A:1341 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
46406 |
141.7 |
-0.7 |
0.497 |
5 |
0 |
0 |
0.014 |
| 15 |
21 |
|
[GOL]B:1340 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
46453 |
140.8 |
-0.5 |
0.526 |
1 |
0 |
0 |
0.004 |
| 16 |
22 |
|
[GOL]B:1341 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
46453 |
138.6 |
-0.4 |
0.556 |
6 |
0 |
0 |
0.015 |
| 17 |
23 |
|
A |
15 |
4 |
46406 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
4 |
46453 |
125.9 |
0.1 |
0.628 |
4 |
3 |
0 |
0.000 |
| 18 |
24 |
|
A |
19 |
7 |
46406 |
x |
A |
x-1,y,z |
1_455 |
16 |
4 |
46406 |
124.8 |
-1.6 |
0.366 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[FES]B:1334 |
4 |
1 |
237 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
46453 |
123.9 |
-16.7 |
0.610 |
1 |
0 |
0 |
0.164 |
26 |
|
[FES]A:1334 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
46406 |
122.7 |
-16.6 |
0.622 |
1 |
0 |
0 |
0.164 |
| Average: |
123.3 |
-16.6 |
0.616 |
1 |
0 |
0 |
0.164 |
| 20 |
27 |
|
[FES]A:1333 |
4 |
1 |
234 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
46406 |
121.0 |
-15.8 |
0.582 |
2 |
0 |
0 |
0.159 |
28 |
|
[FES]B:1333 |
4 |
1 |
232 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
46453 |
119.3 |
-15.6 |
0.569 |
2 |
0 |
0 |
0.159 |
| Average: |
120.1 |
-15.7 |
0.575 |
2 |
0 |
0 |
0.159 |
| 21 |
29 |
|
[NAI]B:1338 |
12 |
1 |
864 |
f |
[FAD]B:1337 |
x,y,z |
1_555 |
19 |
1 |
1014 |
111.0 |
-0.6 |
0.603 |
0 |
0 |
0 |
0.006 |
30 |
|
[NAI]A:1338 |
12 |
1 |
863 |
f |
[FAD]A:1337 |
x,y,z |
1_555 |
19 |
1 |
1014 |
110.7 |
-0.6 |
0.597 |
0 |
0 |
0 |
0.006 |
| Average: |
110.9 |
-0.6 |
0.600 |
0 |
0 |
0 |
0.006 |
| 22 |
31 |
|
[MOS]B:1336 |
4 |
1 |
225 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
46453 |
107.4 |
-4.3 |
0.581 |
2 |
0 |
0 |
0.050 |
32 |
|
[MOS]A:1336 |
4 |
1 |
225 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
46406 |
105.0 |
-4.3 |
0.590 |
2 |
0 |
0 |
0.050 |
| Average: |
106.2 |
-4.3 |
0.586 |
2 |
0 |
0 |
0.050 |
| 23 |
33 |
|
[CO3]B:1344 |
4 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
46453 |
87.8 |
2.4 |
0.960 |
6 |
0 |
0 |
0.001 |
| 24 |
34 |
|
[CO3]A:1343 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
46406 |
87.3 |
2.4 |
0.959 |
7 |
0 |
0 |
0.003 |
| 25 |
35 |
|
[MOS]B:1336 |
4 |
1 |
225 |
f |
[MTE]B:1335 |
x,y,z |
1_555 |
5 |
1 |
533 |
57.0 |
-4.7 |
0.472 |
0 |
0 |
0 |
0.045 |
36 |
|
[MOS]A:1336 |
4 |
1 |
225 |
f |
[MTE]A:1335 |
x,y,z |
1_555 |
4 |
1 |
534 |
56.5 |
-4.7 |
0.409 |
0 |
0 |
0 |
0.045 |
| Average: |
56.7 |
-4.7 |
0.440 |
0 |
0 |
0 |
0.045 |
| 26 |
37 |
|
A |
8 |
2 |
46406 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
2 |
46453 |
43.5 |
0.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
A |
6 |
2 |
46406 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
2 |
46406 |
34.2 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
39 |
|
B |
2 |
2 |
46453 |
x |
B |
-x+2,y-1/2,-z+3 |
2_748 |
1 |
1 |
46453 |
10.8 |
0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
| Average: |
22.5 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
[GOL]B:1339 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
46406 |
33.2 |
-0.2 |
0.574 |
0 |
0 |
0 |
0.002 |
41 |
|
[GOL]A:1340 |
4 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
46453 |
26.6 |
-0.3 |
0.457 |
0 |
0 |
0 |
0.002 |
| Average: |
29.9 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.002 |
| 29 |
42 |
|
[SAL]A:1344 |
1 |
1 |
275 |
f |
[MOS]A:1336 |
x,y,z |
1_555 |
2 |
1 |
225 |
15.3 |
0.3 |
0.403 |
0 |
0 |
0 |
0.000 |
43 |
|
[SAL]B:1345 |
1 |
1 |
274 |
f |
[MOS]B:1336 |
x,y,z |
1_555 |
1 |
1 |
225 |
14.4 |
0.3 |
0.387 |
0 |
0 |
0 |
0.000 |
| Average: |
14.9 |
0.3 |
0.395 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[MTE]B:1335 |
2 |
1 |
533 |
f |
[FES]B:1333 |
x,y,z |
1_555 |
2 |
1 |
232 |
12.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
45 |
|
[MTE]A:1335 |
2 |
1 |
534 |
f |
[FES]A:1333 |
x,y,z |
1_555 |
2 |
1 |
234 |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
|