| ## |
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 |
69 |
20 |
17475 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
78 |
20 |
17729 |
752.5 |
-5.2 |
0.393 |
10 |
6 |
0 |
0.000 |
2 |
|
A |
76 |
20 |
17629 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
66 |
19 |
17396 |
724.1 |
-5.7 |
0.353 |
9 |
9 |
0 |
0.000 |
3 |
|
A |
68 |
19 |
17629 |
◊ |
E |
-x-1,y-1/2,-z-1/2 |
3_444 |
77 |
18 |
17507 |
721.4 |
-6.4 |
0.312 |
5 |
1 |
0 |
0.000 |
4 |
|
C |
71 |
19 |
17396 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
62 |
18 |
17507 |
699.6 |
-5.6 |
0.310 |
6 |
4 |
0 |
0.000 |
| Average: |
724.4 |
-5.7 |
0.342 |
8 |
5 |
0 |
0.000 |
| 2 |
5 |
|
B |
68 |
21 |
17729 |
◊ |
A |
x,y,z |
1_555 |
80 |
24 |
17629 |
661.5 |
-2.1 |
0.645 |
7 |
8 |
0 |
0.000 |
| 3 |
6 |
|
[HEM]B:412 |
42 |
1 |
843 |
f |
B |
x,y,z |
1_555 |
83 |
35 |
17729 |
588.9 |
-24.1 |
0.206 |
6 |
0 |
0 |
0.091 |
7 |
|
[HEM]A:412 |
42 |
1 |
844 |
f |
A |
x,y,z |
1_555 |
81 |
34 |
17629 |
583.1 |
-24.5 |
0.173 |
6 |
0 |
0 |
0.091 |
8 |
|
[HEM]E:412 |
42 |
1 |
842 |
f |
E |
x,y,z |
1_555 |
81 |
34 |
17507 |
580.0 |
-23.8 |
0.227 |
6 |
0 |
0 |
0.091 |
9 |
|
[HEM]D:412 |
43 |
1 |
842 |
f |
D |
x,y,z |
1_555 |
81 |
34 |
17475 |
579.7 |
-23.6 |
0.256 |
6 |
0 |
0 |
0.091 |
10 |
|
[HEM]C:412 |
42 |
1 |
837 |
f |
C |
x,y,z |
1_555 |
83 |
34 |
17396 |
577.2 |
-23.6 |
0.231 |
6 |
0 |
0 |
0.091 |
| Average: |
581.8 |
-23.9 |
0.219 |
6 |
0 |
0 |
0.091 |
| 4 |
11 |
|
[VD3]B:2001 |
26 |
1 |
668 |
f |
B |
x,y,z |
1_555 |
48 |
21 |
17729 |
451.3 |
-0.5 |
0.069 |
0 |
0 |
0 |
0.002 |
| 5 |
12 |
|
[VD3]C:2001 |
26 |
1 |
669 |
f |
C |
x,y,z |
1_555 |
47 |
21 |
17396 |
446.8 |
-0.4 |
0.070 |
0 |
0 |
0 |
0.001 |
| 6 |
13 |
|
[VD3]A:2001 |
27 |
1 |
660 |
f |
A |
x,y,z |
1_555 |
49 |
22 |
17629 |
438.3 |
-1.2 |
0.065 |
0 |
0 |
0 |
0.003 |
| 7 |
14 |
|
[VD3]E:2001 |
25 |
1 |
635 |
f |
E |
x,y,z |
1_555 |
49 |
21 |
17507 |
431.0 |
-1.2 |
0.076 |
0 |
0 |
0 |
0.003 |
15 |
|
[VD3]D:2001 |
25 |
1 |
638 |
f |
D |
x,y,z |
1_555 |
45 |
19 |
17475 |
425.0 |
-0.6 |
0.102 |
0 |
0 |
0 |
0.003 |
| Average: |
428.0 |
-0.9 |
0.089 |
0 |
0 |
0 |
0.003 |
| 8 |
16 |
|
D |
50 |
17 |
17475 |
◊ |
A |
x,y,z |
1_555 |
46 |
16 |
17629 |
370.0 |
-4.2 |
0.319 |
3 |
5 |
0 |
0.000 |
| 9 |
17 |
|
B |
32 |
11 |
17729 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
33 |
12 |
17629 |
283.8 |
0.0 |
0.599 |
5 |
0 |
0 |
0.000 |
| 10 |
18 |
|
E |
29 |
10 |
17507 |
◊ |
D |
x,y,z |
1_555 |
37 |
15 |
17475 |
278.4 |
1.4 |
0.832 |
3 |
2 |
0 |
0.000 |
| 11 |
19 |
|
C |
24 |
12 |
17396 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
17729 |
213.9 |
1.7 |
0.821 |
1 |
1 |
0 |
0.000 |
| 12 |
20 |
|
C |
20 |
9 |
17396 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
6 |
17629 |
178.5 |
-0.3 |
0.536 |
1 |
1 |
0 |
0.000 |
| 13 |
21 |
|
D |
17 |
8 |
17475 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
17729 |
160.2 |
-1.3 |
0.413 |
3 |
0 |
0 |
0.000 |
| 14 |
22 |
|
E |
11 |
4 |
17507 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
17396 |
125.2 |
0.2 |
0.617 |
3 |
3 |
0 |
0.000 |
| 15 |
23 |
|
E |
14 |
6 |
17507 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
8 |
17475 |
124.6 |
1.5 |
0.843 |
2 |
2 |
0 |
0.000 |
| 16 |
24 |
|
D |
16 |
6 |
17475 |
◊ |
C |
-x-3/2,-y,z-1/2 |
2_354 |
12 |
5 |
17396 |
108.6 |
-0.9 |
0.471 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[GOL]A:3001 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
17629 |
99.1 |
-0.6 |
0.513 |
1 |
0 |
0 |
0.002 |
| 18 |
26 |
|
[GOL]A:3002 |
6 |
1 |
220 |
◊ |
E |
-x-1,y-1/2,-z-1/2 |
3_444 |
17 |
7 |
17507 |
92.7 |
-0.8 |
0.455 |
2 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[ACT]A:4006 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
17629 |
85.2 |
-0.1 |
0.691 |
2 |
0 |
0 |
0.002 |
| 20 |
28 |
|
[ACT]D:4001 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
17475 |
82.6 |
-0.2 |
0.662 |
2 |
0 |
0 |
0.003 |
| 21 |
29 |
|
[ACT]E:4008 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
15 |
5 |
17507 |
82.4 |
0.4 |
0.787 |
2 |
0 |
0 |
0.001 |
30 |
|
[ACT]C:4007 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
17396 |
82.3 |
0.7 |
0.802 |
2 |
0 |
0 |
0.001 |
| Average: |
82.3 |
0.5 |
0.794 |
2 |
0 |
0 |
0.001 |
| 22 |
31 |
|
E |
11 |
4 |
17507 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
17629 |
82.2 |
-0.8 |
0.430 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
A |
13 |
6 |
17629 |
◊ |
[ACT]C:4004 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
184 |
73.9 |
-0.6 |
0.609 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
C |
15 |
7 |
17396 |
◊ |
[ACT]E:4005 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
182 |
73.7 |
-0.4 |
0.666 |
0 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[VD3]B:2001 |
3 |
1 |
668 |
f |
[HEM]B:412 |
x,y,z |
1_555 |
22 |
1 |
843 |
73.2 |
-2.3 |
0.298 |
0 |
0 |
0 |
0.008 |
| 26 |
35 |
|
[VD3]D:2001 |
4 |
1 |
638 |
f |
[HEM]D:412 |
x,y,z |
1_555 |
23 |
1 |
842 |
73.0 |
-2.4 |
0.246 |
0 |
0 |
0 |
0.007 |
36 |
|
[VD3]E:2001 |
5 |
1 |
635 |
f |
[HEM]E:412 |
x,y,z |
1_555 |
23 |
1 |
842 |
68.8 |
-2.4 |
0.246 |
0 |
0 |
0 |
0.007 |
| Average: |
70.9 |
-2.4 |
0.246 |
0 |
0 |
0 |
0.007 |
| 27 |
37 |
|
[VD3]C:2001 |
4 |
1 |
669 |
f |
[HEM]C:412 |
x,y,z |
1_555 |
24 |
1 |
837 |
72.1 |
-2.4 |
0.266 |
0 |
0 |
0 |
0.006 |
| 28 |
38 |
|
[VD3]A:2001 |
4 |
1 |
660 |
f |
[HEM]A:412 |
x,y,z |
1_555 |
24 |
1 |
844 |
70.3 |
-2.2 |
0.267 |
0 |
0 |
0 |
0.005 |
| 29 |
39 |
|
[GOL]A:3001 |
5 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
17475 |
68.7 |
0.7 |
0.727 |
3 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[GOL]A:3002 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
17629 |
66.8 |
0.7 |
0.694 |
3 |
0 |
0 |
0.001 |
| 31 |
41 |
|
C |
9 |
2 |
17396 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
2 |
17729 |
64.5 |
-0.4 |
0.472 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[ACT]C:4004 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
17396 |
51.8 |
-0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[ACT]E:4005 |
4 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
17507 |
51.4 |
-0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
B |
7 |
1 |
17729 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
17629 |
48.9 |
-0.4 |
0.406 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
[ACT]A:4006 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
17475 |
35.6 |
-0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[ACT]C:4007 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17729 |
29.7 |
-0.4 |
0.662 |
0 |
0 |
0 |
0.000 |
| 37 |
47 |
|
[CA]A:2505 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
17629 |
28.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.010 |
| 38 |
48 |
|
[CA]D:2502 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
17475 |
28.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.013 |
49 |
|
[CA]A:2501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
17629 |
26.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.013 |
50 |
|
[CA]E:2504 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
17507 |
26.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.013 |
51 |
|
[CA]C:2503 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
17396 |
25.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
27.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.013 |
| 39 |
52 |
|
[GOL]A:3002 |
4 |
1 |
220 |
f |
[CA]A:2501 |
x,y,z |
1_555 |
1 |
1 |
85 |
28.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.010 |
| 40 |
53 |
|
[CA]C:2503 |
1 |
1 |
85 |
f |
[ACT]C:4004 |
x,y,z |
1_555 |
3 |
1 |
184 |
27.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.012 |
54 |
|
[CA]E:2504 |
1 |
1 |
85 |
f |
[ACT]E:4005 |
x,y,z |
1_555 |
3 |
1 |
182 |
25.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
26.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 41 |
55 |
|
[CA]A:2506 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
17475 |
26.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[CA]A:2506 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
17629 |
26.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
26.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
57 |
|
[CA]D:2502 |
1 |
1 |
85 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
4 |
17729 |
25.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
6 |
4 |
17396 |
◊ |
[CA]E:2504 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
25.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
A |
6 |
4 |
17629 |
◊ |
[CA]C:2503 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
85 |
25.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
|
[CA]A:2501 |
1 |
1 |
85 |
◊ |
E |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
4 |
17507 |
24.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
25.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
61 |
|
C |
2 |
2 |
17396 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
17475 |
24.9 |
0.2 |
0.448 |
0 |
0 |
0 |
0.000 |
| 44 |
62 |
|
B |
5 |
4 |
17729 |
◊ |
[CA]A:2505 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
85 |
16.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
63 |
|
[VD3]A:2001 |
2 |
1 |
660 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
17396 |
11.6 |
0.4 |
0.589 |
0 |
0 |
0 |
0.000 |
| 46 |
64 |
|
[ACT]A:4006 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17729 |
5.5 |
-0.1 |
0.576 |
0 |
0 |
0 |
0.000 |
| 47 |
65 |
|
[VD3]C:2001 |
2 |
1 |
669 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17507 |
1.7 |
0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
| 48 |
66 |
|
A |
1 |
1 |
17629 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
17475 |
0.8 |
-0.0 |
0.527 |
0 |
0 |
0 |
0.000 |
|