## |
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 |
284 |
71 |
20126 |
◊ |
A |
x,y,z |
1_555 |
293 |
75 |
19834 |
2784.8 |
-38.2 |
0.014 |
35 |
9 |
0 |
0.429 |
2 |
2 |
|
A |
91 |
27 |
19834 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
89 |
27 |
20126 |
754.2 |
-2.1 |
0.691 |
9 |
7 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
43 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
79 |
24 |
19834 |
520.0 |
-18.1 |
0.315 |
1 |
0 |
0 |
0.287 |
4 |
|
[HEM]B:500 |
43 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
20126 |
517.3 |
-17.9 |
0.290 |
1 |
0 |
0 |
0.287 |
Average: |
518.6 |
-18.0 |
0.303 |
1 |
0 |
0 |
0.287 |
4 |
5 |
|
A |
45 |
15 |
19834 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
49 |
15 |
19834 |
393.3 |
-4.0 |
0.350 |
1 |
1 |
0 |
0.000 |
5 |
6 |
|
[XFN]A:800 |
25 |
1 |
639 |
f |
A |
x,y,z |
1_555 |
51 |
23 |
19834 |
370.0 |
-3.6 |
0.756 |
3 |
0 |
0 |
0.080 |
7 |
|
[XFN]B:800 |
26 |
1 |
651 |
f |
B |
x,y,z |
1_555 |
45 |
20 |
20126 |
356.6 |
-3.6 |
0.716 |
4 |
0 |
0 |
0.080 |
Average: |
363.3 |
-3.6 |
0.736 |
4 |
0 |
0 |
0.080 |
6 |
8 |
|
B |
35 |
12 |
20126 |
x |
B |
x-1,y,z |
1_455 |
26 |
8 |
20126 |
258.4 |
-1.3 |
0.537 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:600 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
30 |
8 |
20126 |
196.6 |
2.3 |
0.474 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:600 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
29 |
8 |
19834 |
196.4 |
2.3 |
0.502 |
2 |
0 |
0 |
0.000 |
Average: |
196.5 |
2.3 |
0.488 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[XFN]A:800 |
18 |
1 |
639 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
34 |
1 |
826 |
162.1 |
-6.7 |
0.918 |
0 |
0 |
0 |
0.108 |
12 |
|
[XFN]B:800 |
21 |
1 |
651 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
820 |
160.7 |
-6.7 |
0.960 |
1 |
0 |
0 |
0.108 |
Average: |
161.4 |
-6.7 |
0.939 |
1 |
0 |
0 |
0.108 |
9 |
13 |
|
[H4B]B:600 |
13 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
19834 |
120.4 |
-0.2 |
0.268 |
1 |
0 |
0 |
0.009 |
14 |
|
[H4B]A:600 |
13 |
1 |
397 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
20126 |
119.8 |
-0.2 |
0.268 |
1 |
0 |
0 |
0.009 |
Average: |
120.1 |
-0.2 |
0.268 |
1 |
0 |
0 |
0.009 |
10 |
15 |
|
[ACT]A:860 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
19834 |
111.5 |
-1.3 |
0.501 |
2 |
0 |
0 |
0.017 |
11 |
16 |
|
[ACT]B:860 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
20126 |
110.1 |
-1.3 |
0.501 |
2 |
0 |
0 |
0.017 |
12 |
17 |
|
[CAD]B:950 |
3 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20126 |
95.6 |
-0.7 |
0.142 |
0 |
0 |
0 |
0.005 |
13 |
18 |
|
[CAD]A:950 |
3 |
1 |
210 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
19834 |
85.1 |
-1.5 |
0.127 |
0 |
0 |
0 |
0.011 |
14 |
19 |
|
A |
14 |
6 |
19834 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
210 |
76.2 |
2.6 |
0.420 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[CAD]B:950 |
3 |
1 |
209 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
3 |
20126 |
70.8 |
0.9 |
0.337 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
A |
8 |
4 |
19834 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20126 |
55.8 |
-0.6 |
0.442 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[H4B]B:600 |
4 |
1 |
396 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
42.7 |
-1.2 |
0.451 |
1 |
0 |
0 |
0.028 |
23 |
|
[H4B]A:600 |
5 |
1 |
397 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
826 |
42.1 |
-1.1 |
0.441 |
2 |
0 |
0 |
0.028 |
Average: |
42.4 |
-1.2 |
0.446 |
2 |
0 |
0 |
0.028 |
18 |
24 |
|
[ACT]A:860 |
3 |
1 |
182 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
826 |
36.4 |
-1.1 |
0.750 |
0 |
0 |
0 |
0.009 |
19 |
25 |
|
[ACT]B:860 |
3 |
1 |
182 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
820 |
35.7 |
-1.1 |
0.753 |
0 |
0 |
0 |
0.008 |
20 |
26 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20126 |
34.8 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.240 |
27 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19834 |
34.6 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.240 |
Average: |
34.7 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.240 |
21 |
28 |
|
B |
3 |
2 |
20126 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
19834 |
33.1 |
-0.7 |
0.250 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[XFN]B:800 |
2 |
1 |
651 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19834 |
31.2 |
-1.0 |
0.275 |
0 |
0 |
0 |
0.008 |
23 |
30 |
|
B |
3 |
1 |
20126 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
19834 |
22.8 |
1.3 |
0.941 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
A |
1 |
1 |
19834 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
19834 |
13.7 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
[H4B]B:600 |
1 |
1 |
396 |
f |
[XFN]B:800 |
x,y,z |
1_555 |
2 |
1 |
651 |
9.1 |
-0.4 |
0.300 |
0 |
0 |
0 |
0.005 |
33 |
|
[H4B]A:600 |
1 |
1 |
397 |
f |
[XFN]A:800 |
x,y,z |
1_555 |
3 |
1 |
639 |
7.4 |
-0.3 |
0.309 |
0 |
0 |
0 |
0.005 |
Average: |
8.2 |
-0.3 |
0.305 |
0 |
0 |
0 |
0.005 |
|