## |
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 |
86 |
24 |
7716 |
◊ |
C |
x,y,z |
1_555 |
93 |
26 |
7548 |
895.8 |
-9.3 |
0.482 |
7 |
3 |
0 |
0.268 |
2 |
|
F |
85 |
24 |
7703 |
◊ |
E |
x,y,z |
1_555 |
92 |
22 |
7782 |
884.7 |
-11.0 |
0.446 |
7 |
2 |
0 |
0.268 |
3 |
|
B |
92 |
24 |
7880 |
◊ |
A |
x,y,z |
1_555 |
88 |
23 |
7686 |
871.4 |
-10.2 |
0.539 |
9 |
1 |
0 |
0.268 |
4 |
|
H |
88 |
24 |
7976 |
◊ |
G |
x,y,z |
1_555 |
90 |
24 |
7700 |
838.9 |
-10.1 |
0.646 |
6 |
3 |
0 |
0.268 |
Average: |
872.7 |
-10.2 |
0.528 |
7 |
2 |
0 |
0.268 |
2 |
5 |
|
[HEM]A:201 |
42 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
68 |
25 |
7686 |
584.6 |
-20.0 |
0.415 |
1 |
0 |
0 |
0.398 |
6 |
|
[HEM]E:201 |
42 |
1 |
828 |
f |
E |
x,y,z |
1_555 |
69 |
25 |
7782 |
577.5 |
-19.6 |
0.479 |
0 |
0 |
0 |
0.398 |
7 |
|
[HEM]C:201 |
43 |
1 |
826 |
f |
C |
x,y,z |
1_555 |
66 |
24 |
7548 |
569.3 |
-20.1 |
0.269 |
2 |
0 |
0 |
0.398 |
8 |
|
[HEM]G:201 |
41 |
1 |
818 |
f |
G |
x,y,z |
1_555 |
70 |
25 |
7700 |
568.2 |
-20.1 |
0.414 |
2 |
0 |
0 |
0.398 |
Average: |
574.9 |
-19.9 |
0.394 |
1 |
0 |
0 |
0.398 |
3 |
9 |
|
[HEM]F:201 |
43 |
1 |
826 |
f |
F |
x,y,z |
1_555 |
70 |
27 |
7703 |
569.8 |
-19.3 |
0.340 |
0 |
0 |
0 |
0.363 |
10 |
|
[HEM]B:201 |
42 |
1 |
828 |
f |
B |
x,y,z |
1_555 |
68 |
26 |
7880 |
563.7 |
-19.1 |
0.365 |
0 |
0 |
0 |
0.363 |
11 |
|
[HEM]D:201 |
42 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
71 |
27 |
7716 |
558.9 |
-19.6 |
0.364 |
0 |
0 |
0 |
0.363 |
12 |
|
[HEM]H:201 |
43 |
1 |
821 |
f |
H |
x,y,z |
1_555 |
62 |
25 |
7976 |
551.0 |
-17.9 |
0.528 |
0 |
0 |
0 |
0.363 |
Average: |
560.9 |
-19.0 |
0.399 |
0 |
0 |
0 |
0.363 |
4 |
13 |
|
D |
66 |
16 |
7716 |
◊ |
A |
x,y,z |
1_555 |
60 |
14 |
7686 |
557.1 |
-2.9 |
0.793 |
4 |
0 |
0 |
0.087 |
14 |
|
H |
63 |
15 |
7976 |
◊ |
E |
x,y,z |
1_555 |
66 |
16 |
7782 |
553.8 |
-3.5 |
0.864 |
4 |
0 |
0 |
0.087 |
15 |
|
F |
66 |
16 |
7703 |
◊ |
G |
x,y,z |
1_555 |
59 |
14 |
7700 |
549.7 |
-3.1 |
0.789 |
5 |
0 |
0 |
0.087 |
16 |
|
B |
59 |
14 |
7880 |
◊ |
C |
x,y,z |
1_555 |
52 |
11 |
7548 |
518.3 |
-3.6 |
0.733 |
6 |
0 |
0 |
0.087 |
Average: |
544.7 |
-3.3 |
0.795 |
5 |
0 |
0 |
0.087 |
5 |
17 |
|
G |
38 |
12 |
7700 |
◊ |
E |
x,y,z |
1_555 |
36 |
11 |
7782 |
406.5 |
2.6 |
0.975 |
8 |
4 |
0 |
0.014 |
18 |
|
C |
37 |
11 |
7548 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
7686 |
400.1 |
1.5 |
0.924 |
6 |
4 |
0 |
0.014 |
Average: |
403.3 |
2.0 |
0.949 |
7 |
4 |
0 |
0.014 |
6 |
19 |
|
B |
40 |
10 |
7880 |
◊ |
G |
x,y,z |
1_555 |
34 |
8 |
7700 |
360.5 |
-6.2 |
0.350 |
2 |
0 |
0 |
0.061 |
20 |
|
F |
40 |
11 |
7703 |
◊ |
C |
x,y,z |
1_555 |
29 |
7 |
7548 |
330.5 |
-6.3 |
0.189 |
2 |
0 |
0 |
0.061 |
Average: |
345.5 |
-6.2 |
0.270 |
2 |
0 |
0 |
0.061 |
7 |
21 |
|
D |
33 |
9 |
7716 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
7880 |
286.9 |
-4.8 |
0.381 |
0 |
0 |
0 |
0.037 |
22 |
|
H |
16 |
3 |
7976 |
◊ |
F |
x,y,z |
1_555 |
22 |
8 |
7703 |
152.5 |
-1.5 |
0.606 |
1 |
0 |
0 |
0.037 |
Average: |
219.7 |
-3.1 |
0.494 |
1 |
0 |
0 |
0.037 |
8 |
23 |
|
C |
28 |
8 |
7548 |
◊ |
F |
x-1/2,-y-1/2,-z+2 |
4_447 |
37 |
11 |
7703 |
280.3 |
-1.0 |
0.720 |
3 |
0 |
0 |
0.000 |
9 |
24 |
|
H |
18 |
8 |
7976 |
◊ |
A |
-x,y-1/2,-z+5/2 |
3_547 |
21 |
7 |
7686 |
189.4 |
-2.2 |
0.575 |
1 |
0 |
0 |
0.000 |
10 |
25 |
|
F |
18 |
7 |
7703 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
7880 |
126.4 |
-1.4 |
0.596 |
0 |
0 |
0 |
0.005 |
11 |
26 |
|
A |
14 |
5 |
7686 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
5 |
7716 |
117.2 |
-1.6 |
0.520 |
1 |
0 |
0 |
0.000 |
12 |
27 |
|
A |
13 |
3 |
7686 |
◊ |
D |
x-1/2,-y+1/2,-z+2 |
4_457 |
14 |
7 |
7716 |
112.9 |
-2.4 |
0.355 |
0 |
0 |
0 |
0.000 |
13 |
28 |
|
H |
8 |
3 |
7976 |
◊ |
B |
-x,y-1/2,-z+5/2 |
3_547 |
12 |
4 |
7880 |
85.0 |
-0.7 |
0.614 |
1 |
0 |
0 |
0.000 |
14 |
29 |
|
C |
11 |
4 |
7548 |
x |
C |
x-1/2,-y-1/2,-z+2 |
4_447 |
6 |
3 |
7548 |
84.8 |
-1.2 |
0.397 |
0 |
0 |
0 |
0.000 |
15 |
30 |
|
[ACE]A:1 |
3 |
1 |
171 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
7686 |
77.8 |
-0.3 |
0.854 |
1 |
0 |
0 |
0.013 |
16 |
31 |
|
[ACE]G:1 |
3 |
1 |
171 |
cf |
G |
x,y,z |
1_555 |
9 |
3 |
7700 |
75.9 |
-0.5 |
0.837 |
0 |
0 |
0 |
0.010 |
17 |
32 |
|
[ACE]C:1 |
3 |
1 |
170 |
cf |
C |
x,y,z |
1_555 |
10 |
3 |
7548 |
74.9 |
-0.4 |
0.824 |
0 |
0 |
0 |
0.008 |
18 |
33 |
|
[ACE]E:1 |
3 |
1 |
171 |
cf |
E |
x,y,z |
1_555 |
10 |
3 |
7782 |
73.7 |
-0.4 |
0.840 |
0 |
0 |
0 |
0.007 |
19 |
34 |
|
E |
8 |
3 |
7782 |
◊ |
D |
x-1/2,-y-1/2,-z+2 |
4_447 |
7 |
5 |
7716 |
63.2 |
0.2 |
0.784 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
D |
6 |
3 |
7716 |
◊ |
F |
x-1/2,-y-1/2,-z+2 |
4_447 |
7 |
2 |
7703 |
57.8 |
-1.1 |
0.377 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
[ACE]G:1 |
2 |
1 |
171 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
7782 |
53.5 |
-0.8 |
0.741 |
0 |
0 |
0 |
0.008 |
37 |
|
[ACE]A:1 |
2 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
7548 |
51.1 |
-1.0 |
0.677 |
0 |
0 |
0 |
0.008 |
Average: |
52.3 |
-0.9 |
0.709 |
0 |
0 |
0 |
0.008 |
22 |
38 |
|
[ACE]C:1 |
2 |
1 |
170 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
7686 |
49.4 |
-0.7 |
0.729 |
0 |
0 |
0 |
0.006 |
23 |
39 |
|
[ACE]E:1 |
2 |
1 |
171 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
7700 |
48.4 |
-0.6 |
0.759 |
0 |
0 |
0 |
0.005 |
24 |
40 |
|
[HEM]C:201 |
5 |
1 |
826 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
7703 |
45.5 |
-2.0 |
0.286 |
0 |
0 |
0 |
0.018 |
41 |
|
[HEM]G:201 |
5 |
1 |
818 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7880 |
40.1 |
-2.1 |
0.257 |
0 |
0 |
0 |
0.018 |
Average: |
42.8 |
-2.1 |
0.272 |
0 |
0 |
0 |
0.018 |
25 |
42 |
|
D |
4 |
3 |
7716 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
3 |
7700 |
42.5 |
-1.3 |
0.219 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
E |
5 |
3 |
7782 |
◊ |
H |
-x+1,y-1/2,-z+5/2 |
3_647 |
2 |
1 |
7976 |
33.4 |
-0.6 |
0.322 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
G |
4 |
3 |
7700 |
◊ |
B |
-x,y-1/2,-z+5/2 |
3_547 |
3 |
3 |
7880 |
20.7 |
-0.3 |
0.567 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
D |
1 |
1 |
7716 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
7976 |
1.8 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
E |
1 |
1 |
7782 |
◊ |
G |
-x,y-1/2,-z+5/2 |
3_547 |
2 |
1 |
7700 |
1.6 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
E |
1 |
1 |
7782 |
◊ |
C |
x-1/2,-y-1/2,-z+2 |
4_447 |
1 |
1 |
7548 |
0.6 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
|