## |
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 |
253 |
67 |
13719 |
◊ |
A |
x,y,z |
1_555 |
286 |
79 |
22860 |
2627.1 |
-15.9 |
0.346 |
36 |
9 |
0 |
0.302 |
2 |
|
F |
252 |
68 |
13927 |
◊ |
E |
x,y,z |
1_555 |
282 |
78 |
22747 |
2614.8 |
-14.2 |
0.468 |
39 |
10 |
0 |
0.302 |
Average: |
2620.9 |
-15.0 |
0.407 |
38 |
10 |
0 |
0.302 |
2 |
3 |
|
C |
195 |
41 |
12483 |
◊ |
B |
x,y,z |
1_555 |
215 |
56 |
13719 |
1871.6 |
-29.9 |
0.250 |
22 |
2 |
0 |
0.337 |
4 |
|
G |
190 |
40 |
12714 |
◊ |
F |
x,y,z |
1_555 |
207 |
56 |
13927 |
1870.4 |
-30.3 |
0.197 |
14 |
2 |
0 |
0.337 |
Average: |
1871.0 |
-30.1 |
0.224 |
18 |
2 |
0 |
0.337 |
3 |
5 |
|
D |
189 |
45 |
10333 |
◊ |
C |
x,y,z |
1_555 |
176 |
50 |
12483 |
1748.5 |
-34.9 |
0.761 |
12 |
4 |
0 |
0.566 |
6 |
|
H |
185 |
45 |
10322 |
◊ |
G |
x,y,z |
1_555 |
170 |
48 |
12714 |
1698.0 |
-33.7 |
0.748 |
8 |
3 |
0 |
0.566 |
Average: |
1723.3 |
-34.3 |
0.755 |
10 |
4 |
0 |
0.566 |
4 |
7 |
|
D |
102 |
26 |
10333 |
◊ |
H |
x-1,y,z |
1_455 |
101 |
26 |
10322 |
1053.5 |
-20.8 |
0.588 |
5 |
4 |
0 |
0.770 |
5 |
8 |
|
H |
100 |
26 |
10322 |
◊ |
F |
x,y,z |
1_555 |
105 |
30 |
13927 |
898.0 |
-9.7 |
0.688 |
11 |
5 |
0 |
0.195 |
9 |
|
D |
101 |
25 |
10333 |
◊ |
B |
x,y,z |
1_555 |
106 |
30 |
13719 |
897.2 |
-11.0 |
0.586 |
8 |
3 |
0 |
0.195 |
Average: |
897.6 |
-10.3 |
0.637 |
10 |
4 |
0 |
0.195 |
6 |
10 |
|
[FAD]E:702 |
53 |
1 |
1008 |
f |
E |
x,y,z |
1_555 |
100 |
43 |
22747 |
696.1 |
-6.9 |
0.575 |
26 |
0 |
0 |
0.169 |
11 |
|
[FAD]A:702 |
53 |
1 |
999 |
f |
A |
x,y,z |
1_555 |
95 |
42 |
22860 |
682.6 |
-7.3 |
0.559 |
26 |
0 |
0 |
0.169 |
Average: |
689.3 |
-7.1 |
0.567 |
26 |
0 |
0 |
0.169 |
7 |
12 |
|
H |
48 |
16 |
10322 |
◊ |
E |
x,y,z |
1_555 |
78 |
24 |
22747 |
611.1 |
-4.2 |
0.713 |
9 |
1 |
0 |
0.061 |
13 |
|
D |
50 |
14 |
10333 |
◊ |
A |
x,y,z |
1_555 |
73 |
23 |
22860 |
593.0 |
-3.2 |
0.789 |
10 |
2 |
0 |
0.061 |
Average: |
602.1 |
-3.7 |
0.751 |
10 |
2 |
0 |
0.061 |
8 |
14 |
|
[EPH]D:201 |
36 |
1 |
1137 |
f |
D |
x,y,z |
1_555 |
61 |
15 |
10333 |
462.6 |
-3.1 |
0.612 |
0 |
0 |
0 |
0.230 |
15 |
|
[EPH]H:201 |
36 |
1 |
1137 |
f |
H |
x,y,z |
1_555 |
56 |
14 |
10322 |
445.7 |
-3.6 |
0.569 |
1 |
0 |
0 |
0.230 |
Average: |
454.1 |
-3.3 |
0.590 |
1 |
0 |
0 |
0.230 |
9 |
16 |
|
[EPH]H:201 |
28 |
1 |
1137 |
◊ |
G |
x,y,z |
1_555 |
45 |
15 |
12714 |
410.2 |
-2.8 |
0.541 |
0 |
0 |
0 |
0.040 |
17 |
|
[EPH]D:201 |
28 |
1 |
1137 |
◊ |
C |
x,y,z |
1_555 |
47 |
16 |
12483 |
406.7 |
-2.8 |
0.564 |
0 |
0 |
0 |
0.040 |
Average: |
408.4 |
-2.8 |
0.553 |
0 |
0 |
0 |
0.040 |
10 |
18 |
|
E |
46 |
11 |
22747 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
22860 |
401.2 |
-3.2 |
0.367 |
3 |
0 |
0 |
0.000 |
11 |
19 |
|
[HEM]G:201 |
42 |
1 |
785 |
f |
G |
x,y,z |
1_555 |
45 |
15 |
12714 |
339.9 |
-12.5 |
0.833 |
1 |
0 |
0 |
0.186 |
20 |
|
[HEM]C:201 |
42 |
1 |
784 |
f |
C |
x,y,z |
1_555 |
44 |
16 |
12483 |
335.3 |
-12.1 |
0.828 |
2 |
0 |
0 |
0.186 |
Average: |
337.6 |
-12.3 |
0.830 |
2 |
0 |
0 |
0.186 |
12 |
21 |
|
[HEM]G:201 |
41 |
1 |
785 |
◊ |
H |
x,y,z |
1_555 |
37 |
13 |
10322 |
316.9 |
-8.3 |
0.871 |
1 |
0 |
0 |
0.129 |
22 |
|
[HEM]C:201 |
42 |
1 |
784 |
◊ |
D |
x,y,z |
1_555 |
39 |
13 |
10333 |
315.1 |
-8.8 |
0.891 |
1 |
0 |
0 |
0.129 |
Average: |
316.0 |
-8.6 |
0.881 |
1 |
0 |
0 |
0.129 |
13 |
23 |
|
E |
35 |
11 |
22747 |
◊ |
G |
x-1,y,z |
1_455 |
28 |
8 |
12714 |
261.2 |
-2.8 |
0.530 |
4 |
0 |
0 |
0.000 |
14 |
24 |
|
E |
25 |
9 |
22747 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
10 |
13719 |
247.5 |
-2.6 |
0.267 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
A |
27 |
6 |
22860 |
◊ |
F |
-x+1/2,-y-1,z-1/2 |
2_544 |
30 |
7 |
13927 |
197.9 |
-2.5 |
0.364 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[UQ1]C:202 |
16 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
12483 |
183.2 |
-1.5 |
0.610 |
1 |
0 |
0 |
0.027 |
17 |
27 |
|
[SF4]F:302 |
8 |
1 |
295 |
f |
F |
x,y,z |
1_555 |
22 |
14 |
13927 |
182.8 |
-23.5 |
0.358 |
0 |
0 |
0 |
0.299 |
28 |
|
[SF4]B:302 |
8 |
1 |
293 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
13719 |
180.3 |
-23.2 |
0.401 |
0 |
0 |
0 |
0.299 |
Average: |
181.5 |
-23.4 |
0.380 |
0 |
0 |
0 |
0.299 |
18 |
29 |
|
C |
21 |
7 |
12483 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
22860 |
178.8 |
-1.1 |
0.707 |
5 |
0 |
0 |
0.000 |
19 |
30 |
|
[UQ1]G:202 |
17 |
1 |
466 |
f |
G |
x,y,z |
1_555 |
21 |
6 |
12714 |
177.9 |
-2.1 |
0.522 |
1 |
0 |
0 |
0.037 |
20 |
31 |
|
[F3S]B:303 |
7 |
1 |
299 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
13719 |
172.3 |
-18.4 |
0.572 |
3 |
0 |
0 |
0.255 |
32 |
|
[F3S]F:303 |
7 |
1 |
300 |
f |
F |
x,y,z |
1_555 |
25 |
13 |
13927 |
169.6 |
-18.3 |
0.610 |
2 |
0 |
0 |
0.255 |
Average: |
171.0 |
-18.3 |
0.591 |
3 |
0 |
0 |
0.255 |
21 |
33 |
|
[UQ1]G:202 |
15 |
1 |
466 |
◊ |
F |
x,y,z |
1_555 |
20 |
6 |
13927 |
132.9 |
-1.5 |
0.357 |
1 |
0 |
0 |
0.017 |
34 |
|
[UQ1]C:202 |
16 |
1 |
454 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
13719 |
124.6 |
-0.8 |
0.408 |
1 |
0 |
0 |
0.017 |
Average: |
128.7 |
-1.1 |
0.382 |
1 |
0 |
0 |
0.017 |
22 |
35 |
|
[FES]F:301 |
4 |
1 |
234 |
f |
F |
x,y,z |
1_555 |
14 |
10 |
13927 |
121.2 |
-16.1 |
0.664 |
1 |
0 |
0 |
0.213 |
36 |
|
[FES]B:301 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
13719 |
120.3 |
-16.1 |
0.663 |
1 |
0 |
0 |
0.213 |
Average: |
120.8 |
-16.1 |
0.664 |
1 |
0 |
0 |
0.213 |
23 |
37 |
|
B |
16 |
6 |
13719 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
22860 |
115.2 |
-1.9 |
0.339 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[MLI]A:701 |
7 |
1 |
226 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
22860 |
105.2 |
3.8 |
0.507 |
11 |
0 |
0 |
0.009 |
25 |
39 |
|
[MLI]E:701 |
7 |
1 |
223 |
f |
E |
x,y,z |
1_555 |
21 |
13 |
22747 |
103.3 |
3.9 |
0.646 |
9 |
0 |
0 |
0.000 |
26 |
40 |
|
E |
13 |
5 |
22747 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
8 |
22860 |
100.0 |
-0.0 |
0.631 |
1 |
0 |
0 |
0.000 |
27 |
41 |
|
A |
8 |
3 |
22860 |
◊ |
E |
-x+1/2,-y-1,z-1/2 |
2_544 |
11 |
2 |
22747 |
89.8 |
-0.9 |
0.404 |
1 |
2 |
0 |
0.000 |
28 |
42 |
|
[UQ1]G:202 |
10 |
1 |
466 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
10322 |
82.6 |
0.2 |
0.655 |
1 |
0 |
0 |
0.007 |
43 |
|
[UQ1]C:202 |
10 |
1 |
454 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
10333 |
81.8 |
-0.1 |
0.653 |
1 |
0 |
0 |
0.007 |
Average: |
82.2 |
0.0 |
0.654 |
1 |
0 |
0 |
0.007 |
29 |
44 |
|
D |
9 |
5 |
10333 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
22747 |
79.4 |
1.7 |
0.921 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
H |
12 |
4 |
10322 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
22860 |
74.1 |
2.1 |
0.947 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[FAD]A:702 |
14 |
1 |
999 |
f |
[MLI]A:701 |
x,y,z |
1_555 |
6 |
1 |
226 |
57.6 |
1.7 |
0.870 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
[FAD]E:702 |
16 |
1 |
1008 |
f |
[MLI]E:701 |
x,y,z |
1_555 |
5 |
1 |
223 |
57.2 |
1.6 |
0.868 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[HEM]C:201 |
7 |
1 |
784 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
13719 |
47.6 |
-1.3 |
0.726 |
1 |
0 |
0 |
0.017 |
49 |
|
[HEM]G:201 |
5 |
1 |
785 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
13927 |
44.6 |
-1.1 |
0.600 |
2 |
0 |
0 |
0.017 |
Average: |
46.1 |
-1.2 |
0.663 |
2 |
0 |
0 |
0.017 |
34 |
50 |
|
G |
4 |
3 |
12714 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
22747 |
44.6 |
1.5 |
0.863 |
1 |
2 |
0 |
0.000 |
51 |
|
C |
3 |
2 |
12483 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
22860 |
41.2 |
1.4 |
0.850 |
1 |
2 |
0 |
0.000 |
Average: |
42.9 |
1.5 |
0.856 |
1 |
2 |
0 |
0.000 |
35 |
52 |
|
F |
7 |
3 |
13927 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
13719 |
42.1 |
0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
[EPH]H:201 |
3 |
1 |
1137 |
◊ |
[HEM]G:201 |
x,y,z |
1_555 |
3 |
1 |
785 |
31.4 |
0.6 |
0.766 |
0 |
0 |
0 |
0.000 |
54 |
|
[EPH]D:201 |
4 |
1 |
1137 |
◊ |
[HEM]C:201 |
x,y,z |
1_555 |
3 |
1 |
784 |
31.0 |
0.5 |
0.732 |
0 |
0 |
0 |
0.000 |
Average: |
31.2 |
0.5 |
0.749 |
0 |
0 |
0 |
0.000 |
37 |
55 |
|
B |
2 |
2 |
13719 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
10333 |
21.1 |
-0.2 |
0.443 |
0 |
0 |
0 |
0.000 |
38 |
56 |
|
[FAD]A:702 |
1 |
1 |
999 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13719 |
19.0 |
-0.1 |
0.428 |
0 |
0 |
0 |
0.000 |
57 |
|
[FAD]E:702 |
1 |
1 |
1008 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
13927 |
15.0 |
0.1 |
0.527 |
0 |
0 |
0 |
0.000 |
Average: |
17.0 |
-0.0 |
0.478 |
0 |
0 |
0 |
0.001 |
39 |
58 |
|
[UQ1]C:202 |
1 |
1 |
454 |
f |
[HEM]C:201 |
x,y,z |
1_555 |
2 |
1 |
784 |
16.6 |
-1.1 |
0.342 |
0 |
0 |
0 |
0.015 |
59 |
|
[UQ1]G:202 |
1 |
1 |
466 |
f |
[HEM]G:201 |
x,y,z |
1_555 |
2 |
1 |
785 |
13.8 |
-0.9 |
0.352 |
0 |
0 |
0 |
0.015 |
Average: |
15.2 |
-1.0 |
0.347 |
0 |
0 |
0 |
0.015 |
40 |
60 |
|
F |
1 |
1 |
13927 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13719 |
9.2 |
0.2 |
0.834 |
0 |
0 |
0 |
0.000 |
41 |
61 |
|
[FES]B:301 |
2 |
1 |
235 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
22860 |
5.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
62 |
|
[FES]F:301 |
1 |
1 |
234 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22747 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
3.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.004 |
42 |
63 |
|
[UQ1]C:202 |
1 |
1 |
454 |
◊ |
[F3S]B:303 |
x,y,z |
1_555 |
1 |
1 |
299 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[UQ1]G:202 |
1 |
1 |
466 |
◊ |
[F3S]F:303 |
x,y,z |
1_555 |
1 |
1 |
300 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|