| ## |
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 |
|
D |
638 |
157 |
33378 |
◊ |
A |
x,y,z |
1_555 |
629 |
156 |
33557 |
5730.9 |
-31.3 |
0.472 |
97 |
44 |
0 |
0.503 |
2 |
|
C |
639 |
154 |
33617 |
◊ |
B |
x,y,z |
1_555 |
633 |
154 |
33515 |
5698.9 |
-32.4 |
0.443 |
96 |
44 |
0 |
0.503 |
| Average: |
5714.9 |
-31.9 |
0.457 |
97 |
44 |
0 |
0.503 |
| 2 |
3 |
|
C |
606 |
139 |
33617 |
◊ |
A |
x,y,z |
1_555 |
603 |
140 |
33557 |
5547.4 |
-59.0 |
0.026 |
73 |
2 |
0 |
0.547 |
4 |
|
D |
597 |
139 |
33378 |
◊ |
B |
x,y,z |
1_555 |
610 |
139 |
33515 |
5546.7 |
-58.7 |
0.029 |
71 |
3 |
0 |
0.547 |
| Average: |
5547.1 |
-58.9 |
0.027 |
72 |
3 |
0 |
0.547 |
| 3 |
5 |
|
B |
226 |
65 |
33515 |
◊ |
A |
x,y,z |
1_555 |
226 |
66 |
33557 |
2005.6 |
-11.2 |
0.490 |
35 |
6 |
0 |
0.273 |
6 |
|
D |
225 |
65 |
33378 |
◊ |
C |
x,y,z |
1_555 |
225 |
65 |
33617 |
1996.8 |
-11.5 |
0.464 |
35 |
7 |
0 |
0.273 |
| Average: |
2001.2 |
-11.3 |
0.477 |
35 |
7 |
0 |
0.273 |
| 4 |
7 |
|
A |
60 |
18 |
33557 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
59 |
19 |
33515 |
519.6 |
-0.8 |
0.714 |
3 |
5 |
0 |
0.000 |
| 5 |
8 |
|
[HDD]D:801 |
42 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
98 |
29 |
33378 |
388.6 |
-10.3 |
0.685 |
6 |
0 |
0 |
0.257 |
9 |
|
[HDD]B:801 |
42 |
1 |
824 |
f |
B |
x,y,z |
1_555 |
97 |
29 |
33515 |
387.2 |
-10.6 |
0.668 |
6 |
0 |
0 |
0.257 |
10 |
|
[HDD]A:801 |
42 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
100 |
31 |
33557 |
385.5 |
-10.9 |
0.624 |
6 |
0 |
0 |
0.257 |
11 |
|
[HDD]C:801 |
42 |
1 |
821 |
f |
C |
x,y,z |
1_555 |
92 |
27 |
33617 |
378.2 |
-9.9 |
0.689 |
6 |
0 |
0 |
0.257 |
| Average: |
384.9 |
-10.4 |
0.667 |
6 |
0 |
0 |
0.257 |
| 6 |
12 |
|
[HEM]C:802 |
43 |
1 |
818 |
cf |
C |
x,y,z |
1_555 |
92 |
26 |
33617 |
379.9 |
-11.6 |
0.679 |
5 |
0 |
0 |
0.268 |
13 |
|
[HEM]D:802 |
43 |
1 |
819 |
cf |
D |
x,y,z |
1_555 |
97 |
29 |
33378 |
377.6 |
-11.3 |
0.685 |
5 |
0 |
0 |
0.268 |
14 |
|
[HEM]A:802 |
43 |
1 |
825 |
cf |
A |
x,y,z |
1_555 |
96 |
29 |
33557 |
375.5 |
-12.1 |
0.619 |
5 |
0 |
0 |
0.268 |
15 |
|
[HEM]B:802 |
43 |
1 |
819 |
cf |
B |
x,y,z |
1_555 |
95 |
28 |
33515 |
373.2 |
-11.5 |
0.663 |
5 |
0 |
0 |
0.268 |
| Average: |
376.5 |
-11.6 |
0.661 |
5 |
0 |
0 |
0.268 |
| 7 |
16 |
|
C |
26 |
7 |
33617 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
24 |
11 |
33515 |
259.9 |
0.7 |
0.698 |
2 |
2 |
0 |
0.000 |
| 8 |
17 |
|
[HEM]A:802 |
42 |
1 |
825 |
f |
[HDD]A:801 |
x,y,z |
1_555 |
42 |
1 |
826 |
255.6 |
-11.2 |
0.997 |
0 |
0 |
0 |
0.211 |
18 |
|
[HEM]B:802 |
43 |
1 |
819 |
f |
[HDD]B:801 |
x,y,z |
1_555 |
39 |
1 |
824 |
254.0 |
-10.9 |
0.996 |
0 |
0 |
0 |
0.211 |
19 |
|
[HEM]C:802 |
42 |
1 |
818 |
f |
[HDD]C:801 |
x,y,z |
1_555 |
42 |
1 |
821 |
252.4 |
-10.9 |
0.996 |
0 |
0 |
0 |
0.211 |
20 |
|
[HEM]D:802 |
43 |
1 |
819 |
f |
[HDD]D:801 |
x,y,z |
1_555 |
42 |
1 |
826 |
250.7 |
-10.8 |
0.998 |
0 |
0 |
0 |
0.211 |
| Average: |
253.2 |
-10.9 |
0.997 |
0 |
0 |
0 |
0.211 |
| 9 |
21 |
|
A |
32 |
8 |
33557 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
9 |
33378 |
241.6 |
-1.3 |
0.546 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
A |
24 |
10 |
33557 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
10 |
33378 |
192.1 |
0.2 |
0.708 |
2 |
2 |
0 |
0.000 |
| 11 |
23 |
|
C |
20 |
8 |
33617 |
◊ |
A |
x,y,z-1 |
1_554 |
14 |
8 |
33557 |
190.2 |
-0.3 |
0.606 |
1 |
1 |
0 |
0.000 |
| 12 |
24 |
|
C |
12 |
4 |
33617 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
33378 |
88.3 |
2.2 |
0.912 |
2 |
1 |
0 |
0.000 |
| 13 |
25 |
|
[HDD]A:801 |
7 |
1 |
826 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
33378 |
56.6 |
-1.5 |
0.450 |
0 |
0 |
0 |
0.018 |
26 |
|
[HDD]D:801 |
8 |
1 |
826 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
33557 |
56.1 |
-1.5 |
0.490 |
0 |
0 |
0 |
0.018 |
27 |
|
[HDD]B:801 |
7 |
1 |
824 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
33617 |
54.7 |
-1.4 |
0.493 |
0 |
0 |
0 |
0.018 |
28 |
|
[HDD]C:801 |
8 |
1 |
821 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
33515 |
54.2 |
-1.5 |
0.488 |
0 |
0 |
0 |
0.018 |
| Average: |
55.4 |
-1.5 |
0.480 |
0 |
0 |
0 |
0.018 |
| 14 |
29 |
|
[HEM]D:802 |
8 |
1 |
819 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
33557 |
54.0 |
-1.4 |
0.502 |
0 |
0 |
0 |
0.017 |
30 |
|
[HEM]A:802 |
8 |
1 |
825 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
33378 |
52.9 |
-1.4 |
0.506 |
0 |
0 |
0 |
0.017 |
31 |
|
[HEM]C:802 |
7 |
1 |
818 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
33515 |
52.7 |
-1.4 |
0.505 |
0 |
0 |
0 |
0.017 |
32 |
|
[HEM]B:802 |
7 |
1 |
819 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
33617 |
52.7 |
-1.4 |
0.502 |
0 |
0 |
0 |
0.017 |
| Average: |
53.1 |
-1.4 |
0.504 |
0 |
0 |
0 |
0.017 |
| 15 |
33 |
|
C |
7 |
4 |
33617 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
5 |
4 |
33378 |
40.0 |
0.6 |
0.800 |
1 |
0 |
0 |
0.000 |
| 16 |
34 |
|
B |
3 |
1 |
33515 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
2 |
33378 |
27.7 |
0.8 |
0.864 |
0 |
0 |
0 |
0.000 |
| 17 |
35 |
|
C |
2 |
1 |
33617 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
1 |
33557 |
22.8 |
0.7 |
0.870 |
1 |
1 |
0 |
0.000 |
| 18 |
36 |
|
B |
2 |
2 |
33515 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
33617 |
15.4 |
0.5 |
0.840 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
C |
4 |
2 |
33617 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
3 |
33378 |
12.3 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
A |
1 |
1 |
33557 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
33617 |
9.2 |
0.6 |
0.914 |
0 |
0 |
0 |
0.000 |
| 21 |
39 |
|
B |
1 |
1 |
33515 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
33557 |
7.4 |
-0.0 |
0.454 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
B |
1 |
1 |
33515 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
33378 |
0.5 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
|