| ## |
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 |
84 |
22 |
7863 |
◊ |
A |
x,y,z |
1_555 |
88 |
24 |
7736 |
846.5 |
-10.4 |
0.332 |
8 |
0 |
0 |
0.231 |
2 |
|
F |
88 |
24 |
7934 |
◊ |
E |
x,y,z |
1_555 |
93 |
26 |
7563 |
843.6 |
-11.1 |
0.353 |
7 |
0 |
0 |
0.231 |
| Average: |
845.1 |
-10.8 |
0.342 |
8 |
0 |
0 |
0.231 |
| 2 |
3 |
|
[HEM]E:201 |
43 |
1 |
836 |
f |
E |
x,y,z |
1_555 |
70 |
26 |
7563 |
568.6 |
-20.2 |
0.384 |
1 |
0 |
0 |
0.337 |
4 |
|
[HEM]A:201 |
43 |
1 |
827 |
f |
A |
x,y,z |
1_555 |
68 |
27 |
7736 |
565.4 |
-20.4 |
0.283 |
1 |
0 |
0 |
0.337 |
| Average: |
567.0 |
-20.3 |
0.333 |
1 |
0 |
0 |
0.337 |
| 3 |
5 |
|
[HEM]F:201 |
43 |
1 |
804 |
f |
F |
x,y,z |
1_555 |
63 |
25 |
7934 |
549.9 |
-17.9 |
0.405 |
0 |
0 |
0 |
0.292 |
6 |
|
[HEM]B:201 |
42 |
1 |
820 |
f |
B |
x,y,z |
1_555 |
60 |
24 |
7863 |
527.3 |
-17.2 |
0.356 |
0 |
0 |
0 |
0.292 |
| Average: |
538.6 |
-17.6 |
0.380 |
0 |
0 |
0 |
0.292 |
| 4 |
7 |
|
F |
58 |
13 |
7934 |
◊ |
A |
x,y,z |
1_555 |
44 |
13 |
7736 |
436.6 |
-2.0 |
0.713 |
4 |
2 |
0 |
0.006 |
8 |
|
B |
51 |
12 |
7863 |
◊ |
E |
x,y,z |
1_555 |
40 |
11 |
7563 |
397.4 |
-2.0 |
0.690 |
4 |
0 |
0 |
0.006 |
| Average: |
417.0 |
-2.0 |
0.702 |
4 |
1 |
0 |
0.006 |
| 5 |
9 |
|
E |
32 |
12 |
7563 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
7736 |
361.4 |
-5.0 |
0.323 |
4 |
0 |
0 |
0.005 |
| 6 |
10 |
|
E |
34 |
11 |
7563 |
◊ |
B |
x,y,z-1 |
1_554 |
33 |
11 |
7863 |
286.2 |
-1.9 |
0.635 |
2 |
4 |
0 |
0.000 |
| 7 |
11 |
|
[O4B]E:202 |
17 |
1 |
449 |
f |
B |
x,y,z-1 |
1_554 |
26 |
8 |
7863 |
201.6 |
-5.1 |
0.555 |
0 |
0 |
0 |
0.079 |
| 8 |
12 |
|
[O4B]E:203 |
18 |
1 |
460 |
f |
E |
x,y,z |
1_555 |
27 |
9 |
7563 |
188.5 |
-2.6 |
0.893 |
5 |
0 |
0 |
0.079 |
| 9 |
13 |
|
[O4B]E:202 |
18 |
1 |
449 |
◊ |
E |
x,y,z |
1_555 |
21 |
9 |
7563 |
185.0 |
-2.3 |
0.934 |
3 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[O4B]A:202 |
16 |
1 |
455 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
7736 |
182.2 |
-2.4 |
0.878 |
1 |
0 |
0 |
0.045 |
| 11 |
15 |
|
E |
22 |
5 |
7563 |
◊ |
F |
x-1,y,z |
1_455 |
18 |
9 |
7934 |
175.5 |
-2.8 |
0.373 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
19 |
7 |
7863 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
5 |
7736 |
169.4 |
-2.9 |
0.345 |
0 |
0 |
0 |
0.000 |
| Average: |
172.4 |
-2.9 |
0.359 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
F |
18 |
6 |
7934 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
23 |
6 |
7863 |
157.4 |
-0.7 |
0.431 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[O4B]B:202 |
17 |
1 |
463 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
7863 |
127.7 |
-1.4 |
0.855 |
5 |
0 |
0 |
0.060 |
19 |
|
[O4B]F:202 |
17 |
1 |
461 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
7934 |
125.4 |
-1.4 |
0.860 |
5 |
0 |
0 |
0.060 |
| Average: |
126.5 |
-1.4 |
0.858 |
5 |
0 |
0 |
0.060 |
| 14 |
20 |
|
[O4B]B:202 |
9 |
1 |
463 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
7 |
7736 |
126.1 |
-3.0 |
0.716 |
0 |
0 |
0 |
0.000 |
21 |
|
E |
19 |
7 |
7563 |
◊ |
[O4B]F:202 |
x-1,y,z |
1_455 |
8 |
1 |
461 |
126.0 |
-3.1 |
0.664 |
0 |
0 |
0 |
0.000 |
| Average: |
126.0 |
-3.1 |
0.690 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
F |
13 |
5 |
7934 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
12 |
4 |
7736 |
114.3 |
-2.4 |
0.277 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[O4B]E:203 |
5 |
1 |
460 |
◊ |
[O4B]F:202 |
x-1,y,z |
1_455 |
15 |
1 |
461 |
78.2 |
-2.1 |
0.888 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[O4B]B:202 |
14 |
1 |
463 |
◊ |
[O4B]A:202 |
x-1,y,z |
1_455 |
7 |
1 |
455 |
65.3 |
-1.3 |
0.979 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[OXY]B:203 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
7863 |
55.6 |
0.9 |
0.869 |
1 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[OXY]E:204 |
2 |
1 |
120 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
7563 |
55.3 |
0.8 |
0.879 |
1 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[OXY]A:203 |
2 |
1 |
119 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7736 |
54.6 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[OXY]A:203 |
2 |
1 |
119 |
f |
[HEM]A:201 |
x,y,z |
1_555 |
18 |
1 |
827 |
41.3 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.007 |
| 22 |
29 |
|
[OXY]E:204 |
2 |
1 |
120 |
f |
[HEM]E:201 |
x,y,z |
1_555 |
18 |
1 |
836 |
40.5 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.007 |
| 23 |
30 |
|
[OXY]B:203 |
2 |
1 |
120 |
f |
[HEM]B:201 |
x,y,z |
1_555 |
17 |
1 |
820 |
40.4 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.007 |
| 24 |
31 |
|
F |
3 |
2 |
7934 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
7863 |
35.4 |
1.8 |
0.927 |
0 |
0 |
0 |
0.000 |
| 25 |
32 |
|
F |
5 |
3 |
7934 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
7736 |
29.8 |
-0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
F |
3 |
1 |
7934 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
7736 |
20.1 |
0.2 |
0.755 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[O4B]E:203 |
2 |
1 |
460 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
7934 |
16.8 |
0.3 |
0.931 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
B |
5 |
3 |
7863 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
2 |
7736 |
15.1 |
0.4 |
0.791 |
0 |
0 |
0 |
0.000 |
| 29 |
36 |
|
B |
1 |
1 |
7863 |
◊ |
[O4B]A:202 |
x-1,y,z |
1_455 |
2 |
1 |
455 |
11.2 |
0.2 |
0.920 |
0 |
0 |
0 |
0.000 |
| 30 |
37 |
|
[HEM]E:201 |
1 |
1 |
836 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
1 |
7934 |
9.1 |
-0.5 |
0.405 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
2 |
1 |
7863 |
◊ |
[HEM]A:201 |
x-1,y,z |
1_455 |
1 |
1 |
827 |
7.5 |
-0.5 |
0.389 |
0 |
0 |
0 |
0.000 |
| Average: |
8.3 |
-0.5 |
0.397 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
B |
1 |
1 |
7863 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
7934 |
2.4 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
|