## |
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 |
291 |
71 |
20111 |
◊ |
A |
x,y,z |
1_555 |
284 |
75 |
19948 |
2771.5 |
-38.9 |
0.012 |
31 |
9 |
0 |
0.425 |
2 |
2 |
|
A |
92 |
29 |
19948 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
93 |
29 |
20111 |
756.7 |
-2.7 |
0.678 |
7 |
9 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
42 |
1 |
830 |
f |
A |
x,y,z |
1_555 |
78 |
25 |
19948 |
526.2 |
-18.2 |
0.324 |
1 |
0 |
0 |
0.290 |
4 |
|
[HEM]B:500 |
42 |
1 |
816 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
20111 |
517.1 |
-17.8 |
0.330 |
1 |
0 |
0 |
0.290 |
Average: |
521.6 |
-18.0 |
0.327 |
1 |
0 |
0 |
0.290 |
4 |
5 |
|
A |
47 |
16 |
19948 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
50 |
14 |
19948 |
412.7 |
-2.2 |
0.577 |
3 |
2 |
0 |
0.000 |
5 |
6 |
|
[XFK]A:800 |
26 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
48 |
22 |
19948 |
365.3 |
-4.2 |
0.702 |
3 |
0 |
0 |
0.086 |
7 |
|
[XFK]B:800 |
26 |
1 |
627 |
f |
B |
x,y,z |
1_555 |
55 |
24 |
20111 |
340.5 |
-4.1 |
0.654 |
3 |
0 |
0 |
0.086 |
Average: |
352.9 |
-4.2 |
0.678 |
3 |
0 |
0 |
0.086 |
6 |
8 |
|
[H4B]A:600 |
17 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
19948 |
197.8 |
2.3 |
0.511 |
2 |
0 |
0 |
0.000 |
9 |
|
[H4B]B:600 |
17 |
1 |
393 |
f |
B |
x,y,z |
1_555 |
31 |
11 |
20111 |
177.0 |
1.9 |
0.450 |
2 |
0 |
0 |
0.000 |
Average: |
187.4 |
2.1 |
0.480 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
23 |
9 |
20111 |
x |
B |
x-1,y,z |
1_455 |
22 |
8 |
20111 |
191.5 |
-1.3 |
0.513 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[XFK]A:800 |
22 |
1 |
625 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
34 |
1 |
830 |
161.1 |
-5.9 |
0.970 |
0 |
0 |
0 |
0.094 |
12 |
|
[XFK]B:800 |
21 |
1 |
627 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
816 |
153.9 |
-6.1 |
0.922 |
0 |
0 |
0 |
0.094 |
Average: |
157.5 |
-6.0 |
0.946 |
0 |
0 |
0 |
0.094 |
9 |
13 |
|
[H4B]A:600 |
13 |
1 |
398 |
◊ |
B |
x,y,z |
1_555 |
24 |
6 |
20111 |
122.7 |
-0.1 |
0.283 |
1 |
0 |
0 |
0.009 |
14 |
|
[H4B]B:600 |
13 |
1 |
393 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19948 |
114.0 |
-0.2 |
0.291 |
1 |
0 |
0 |
0.009 |
Average: |
118.3 |
-0.1 |
0.287 |
1 |
0 |
0 |
0.009 |
10 |
15 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19948 |
117.2 |
-1.5 |
0.486 |
2 |
0 |
0 |
0.019 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20111 |
116.0 |
-1.5 |
0.482 |
2 |
0 |
0 |
0.019 |
12 |
17 |
|
[CAD]B:950 |
3 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
20111 |
96.9 |
-0.5 |
0.182 |
0 |
0 |
0 |
0.004 |
13 |
18 |
|
[CAD]A:950 |
3 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
19948 |
91.8 |
-0.5 |
0.174 |
0 |
0 |
0 |
0.004 |
14 |
19 |
|
[GOL]B:880 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
20111 |
82.2 |
0.3 |
0.615 |
3 |
0 |
0 |
0.008 |
15 |
20 |
|
A |
12 |
6 |
19948 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
208 |
75.2 |
2.5 |
0.708 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[CAD]B:950 |
3 |
1 |
209 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
20111 |
67.7 |
0.5 |
0.345 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[GOL]B:880 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
19948 |
58.6 |
0.0 |
0.660 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
7 |
4 |
19948 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
20111 |
54.5 |
-0.5 |
0.437 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[H4B]A:600 |
4 |
1 |
398 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
830 |
42.9 |
-1.2 |
0.458 |
1 |
0 |
0 |
0.026 |
25 |
|
[H4B]B:600 |
5 |
1 |
393 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
816 |
41.0 |
-1.2 |
0.439 |
1 |
0 |
0 |
0.026 |
Average: |
42.0 |
-1.2 |
0.448 |
1 |
0 |
0 |
0.026 |
20 |
26 |
|
[GOL]B:880 |
4 |
1 |
219 |
f |
[H4B]B:600 |
x,y,z |
1_555 |
6 |
1 |
393 |
38.5 |
0.1 |
0.292 |
2 |
0 |
0 |
0.006 |
21 |
27 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19948 |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.242 |
28 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20111 |
33.9 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.242 |
Average: |
34.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.242 |
22 |
29 |
|
[ACT]A:860 |
1 |
1 |
183 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
830 |
34.2 |
-1.1 |
0.490 |
0 |
0 |
0 |
0.009 |
23 |
30 |
|
[ACT]B:860 |
2 |
1 |
183 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
816 |
31.8 |
-1.0 |
0.695 |
0 |
0 |
0 |
0.008 |
24 |
31 |
|
B |
5 |
3 |
20111 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
2 |
19948 |
31.8 |
-0.3 |
0.532 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[XFK]B:800 |
4 |
1 |
627 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
19948 |
28.7 |
-0.8 |
0.490 |
0 |
0 |
0 |
0.008 |
33 |
|
[XFK]A:800 |
3 |
1 |
625 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20111 |
16.2 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.008 |
Average: |
22.5 |
-0.5 |
0.513 |
0 |
0 |
0 |
0.008 |
26 |
34 |
|
[GOL]B:880 |
2 |
1 |
219 |
f |
[XFK]B:800 |
x,y,z |
1_555 |
4 |
1 |
627 |
27.6 |
-0.7 |
0.400 |
0 |
0 |
0 |
0.006 |
27 |
35 |
|
B |
3 |
2 |
20111 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
19948 |
21.0 |
-0.5 |
0.300 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[H4B]B:600 |
1 |
1 |
393 |
f |
[XFK]B:800 |
x,y,z |
1_555 |
1 |
1 |
627 |
1.1 |
-0.0 |
0.425 |
0 |
0 |
0 |
0.000 |
|