| ## |
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 |
|
F |
86 |
23 |
8062 |
◊ |
E |
x,y,z |
1_555 |
89 |
24 |
7751 |
829.5 |
-10.6 |
0.291 |
8 |
0 |
0 |
0.274 |
2 |
|
H |
84 |
22 |
7852 |
◊ |
G |
x,y,z |
1_555 |
86 |
23 |
7810 |
825.0 |
-10.5 |
0.285 |
8 |
0 |
0 |
0.274 |
3 |
|
B |
88 |
23 |
7839 |
◊ |
A |
x,y,z |
1_555 |
86 |
22 |
7756 |
824.9 |
-10.6 |
0.315 |
8 |
0 |
0 |
0.274 |
4 |
|
D |
89 |
23 |
7912 |
◊ |
C |
x,y,z |
1_555 |
85 |
23 |
7807 |
821.6 |
-10.5 |
0.315 |
7 |
0 |
0 |
0.274 |
| Average: |
825.3 |
-10.5 |
0.302 |
8 |
0 |
0 |
0.274 |
| 2 |
5 |
|
H |
84 |
19 |
7852 |
◊ |
E |
x,y,z |
1_555 |
69 |
16 |
7751 |
685.3 |
-4.8 |
0.614 |
8 |
3 |
0 |
0.149 |
6 |
|
F |
79 |
19 |
8062 |
◊ |
G |
x,y,z |
1_555 |
66 |
17 |
7810 |
678.5 |
-5.3 |
0.578 |
7 |
0 |
0 |
0.149 |
7 |
|
B |
84 |
20 |
7839 |
◊ |
C |
x,y,z |
1_555 |
69 |
17 |
7807 |
676.7 |
-5.5 |
0.606 |
7 |
0 |
0 |
0.149 |
8 |
|
D |
83 |
19 |
7912 |
◊ |
A |
x,y,z |
1_555 |
67 |
16 |
7756 |
673.0 |
-5.8 |
0.553 |
7 |
0 |
0 |
0.149 |
| Average: |
678.4 |
-5.4 |
0.588 |
7 |
1 |
0 |
0.149 |
| 3 |
9 |
|
[HEM]E:201 |
43 |
1 |
828 |
f |
E |
x,y,z |
1_555 |
69 |
27 |
7751 |
579.3 |
-19.7 |
0.363 |
2 |
0 |
0 |
0.398 |
10 |
|
[HEM]G:201 |
43 |
1 |
840 |
f |
G |
x,y,z |
1_555 |
71 |
27 |
7810 |
576.2 |
-20.3 |
0.360 |
1 |
0 |
0 |
0.398 |
11 |
|
[HEM]A:201 |
43 |
1 |
826 |
f |
A |
x,y,z |
1_555 |
72 |
27 |
7756 |
573.9 |
-19.7 |
0.384 |
1 |
0 |
0 |
0.398 |
12 |
|
[HEM]C:201 |
43 |
1 |
829 |
f |
C |
x,y,z |
1_555 |
74 |
27 |
7807 |
572.7 |
-19.9 |
0.404 |
1 |
0 |
0 |
0.398 |
| Average: |
575.5 |
-19.9 |
0.377 |
1 |
0 |
0 |
0.398 |
| 4 |
13 |
|
[HNI]B:201 |
43 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
62 |
24 |
7839 |
568.2 |
-18.0 |
0.287 |
0 |
0 |
0 |
0.349 |
14 |
|
[HNI]F:201 |
43 |
1 |
836 |
f |
F |
x,y,z |
1_555 |
63 |
24 |
8062 |
553.9 |
-17.6 |
0.249 |
0 |
0 |
0 |
0.349 |
15 |
|
[HNI]D:202 |
42 |
1 |
832 |
f |
D |
x,y,z |
1_555 |
61 |
23 |
7912 |
551.7 |
-16.8 |
0.283 |
0 |
0 |
0 |
0.349 |
16 |
|
[HNI]H:201 |
43 |
1 |
831 |
f |
H |
x,y,z |
1_555 |
62 |
23 |
7852 |
548.8 |
-17.1 |
0.246 |
0 |
0 |
0 |
0.349 |
| Average: |
555.7 |
-17.4 |
0.266 |
0 |
0 |
0 |
0.349 |
| 5 |
17 |
|
G |
29 |
10 |
7810 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
33 |
12 |
7807 |
292.8 |
-0.9 |
0.725 |
4 |
2 |
0 |
0.000 |
| 6 |
18 |
|
A |
34 |
11 |
7756 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
35 |
13 |
7839 |
290.4 |
-2.5 |
0.566 |
5 |
2 |
0 |
0.000 |
| 7 |
19 |
|
C |
29 |
8 |
7807 |
◊ |
A |
x,y,z |
1_555 |
30 |
8 |
7756 |
286.5 |
3.8 |
0.953 |
6 |
4 |
0 |
0.000 |
20 |
|
G |
30 |
8 |
7810 |
◊ |
E |
x,y,z |
1_555 |
29 |
8 |
7751 |
278.5 |
4.0 |
0.956 |
6 |
4 |
0 |
0.000 |
| Average: |
282.5 |
3.9 |
0.955 |
6 |
4 |
0 |
0.000 |
| 8 |
21 |
|
B |
29 |
11 |
7839 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
10 |
7912 |
263.0 |
-0.1 |
0.655 |
3 |
1 |
0 |
0.000 |
22 |
|
H |
31 |
11 |
7852 |
◊ |
F |
x-1,y,z |
1_455 |
30 |
10 |
8062 |
259.0 |
0.2 |
0.702 |
3 |
1 |
0 |
0.000 |
| Average: |
261.0 |
0.1 |
0.678 |
3 |
1 |
0 |
0.000 |
| 9 |
23 |
|
H |
21 |
9 |
7852 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
7810 |
225.3 |
-0.5 |
0.625 |
0 |
1 |
0 |
0.000 |
| 10 |
24 |
|
F |
19 |
8 |
8062 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
8 |
7810 |
202.0 |
-2.3 |
0.368 |
0 |
0 |
0 |
0.000 |
| 11 |
25 |
|
A |
19 |
7 |
7756 |
◊ |
G |
x-1,y,z-1 |
1_454 |
25 |
10 |
7810 |
181.1 |
-1.1 |
0.586 |
1 |
1 |
0 |
0.000 |
| 12 |
26 |
|
F |
19 |
6 |
8062 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
14 |
4 |
7852 |
171.4 |
-1.6 |
0.416 |
2 |
1 |
0 |
0.000 |
| 13 |
27 |
|
F |
12 |
4 |
8062 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
16 |
7 |
7756 |
130.7 |
-0.1 |
0.696 |
2 |
1 |
0 |
0.000 |
| 14 |
28 |
|
E |
8 |
3 |
7751 |
◊ |
C |
x,y,z |
1_555 |
13 |
7 |
7807 |
116.8 |
0.2 |
0.665 |
2 |
0 |
0 |
0.000 |
| 15 |
29 |
|
F |
15 |
4 |
8062 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
7807 |
106.3 |
-0.3 |
0.674 |
0 |
0 |
0 |
0.000 |
| 16 |
30 |
|
H |
14 |
7 |
7852 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
7 |
7751 |
103.0 |
1.1 |
0.825 |
2 |
1 |
0 |
0.000 |
| 17 |
31 |
|
G |
11 |
4 |
7810 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
4 |
7839 |
96.8 |
0.8 |
0.776 |
0 |
0 |
0 |
0.000 |
| 18 |
32 |
|
H |
10 |
3 |
7852 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
7807 |
95.5 |
-1.0 |
0.523 |
0 |
1 |
0 |
0.000 |
| 19 |
33 |
|
A |
11 |
4 |
7756 |
◊ |
[HNI]B:201 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
825 |
94.9 |
-3.7 |
0.378 |
1 |
0 |
0 |
0.000 |
| 20 |
34 |
|
E |
13 |
4 |
7751 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
13 |
4 |
7912 |
94.6 |
-0.3 |
0.665 |
0 |
0 |
0 |
0.000 |
| 21 |
35 |
|
C |
11 |
3 |
7807 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
7912 |
86.6 |
-0.8 |
0.490 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
[2FU]F:202 |
5 |
1 |
228 |
cf |
F |
x,y,z |
1_555 |
8 |
3 |
8062 |
84.5 |
3.2 |
0.236 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
D |
12 |
3 |
7912 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
2 |
7810 |
75.3 |
-0.6 |
0.523 |
1 |
1 |
0 |
0.000 |
| 24 |
38 |
|
[2FU]F:202 |
4 |
1 |
228 |
c |
H |
x,y,z |
1_555 |
6 |
3 |
7852 |
70.4 |
3.2 |
0.243 |
1 |
0 |
0 |
0.000 |
39 |
|
[2FU]D:201 |
3 |
1 |
228 |
c |
D |
x,y,z |
1_555 |
7 |
4 |
7912 |
63.2 |
3.0 |
0.373 |
0 |
0 |
0 |
0.000 |
| Average: |
66.8 |
3.1 |
0.308 |
1 |
0 |
0 |
0.000 |
| 25 |
40 |
|
[HEM]E:201 |
5 |
1 |
828 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7807 |
68.4 |
-3.8 |
0.308 |
1 |
0 |
0 |
0.000 |
| 26 |
41 |
|
[CMO]E:202 |
2 |
1 |
138 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
7751 |
62.4 |
-0.6 |
0.708 |
0 |
0 |
0 |
0.012 |
| 27 |
42 |
|
[CMO]G:202 |
2 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
10 |
6 |
7810 |
62.0 |
-0.7 |
0.696 |
0 |
0 |
0 |
0.013 |
43 |
|
[CMO]C:202 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
7807 |
62.0 |
-0.6 |
0.714 |
0 |
0 |
0 |
0.013 |
| Average: |
62.0 |
-0.7 |
0.705 |
0 |
0 |
0 |
0.013 |
| 28 |
44 |
|
[CMO]A:202 |
2 |
1 |
136 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
7756 |
61.2 |
0.0 |
0.799 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
[2FU]D:201 |
3 |
1 |
228 |
cf |
B |
x,y,z |
1_555 |
5 |
2 |
7839 |
60.3 |
2.7 |
0.373 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
D |
3 |
2 |
7912 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
7 |
4 |
7912 |
53.3 |
-0.8 |
0.214 |
0 |
0 |
0 |
0.000 |
| 31 |
47 |
|
A |
6 |
3 |
7756 |
◊ |
[HEM]G:201 |
x-1,y,z-1 |
1_454 |
4 |
1 |
840 |
47.0 |
-2.2 |
0.460 |
0 |
0 |
0 |
0.000 |
| 32 |
48 |
|
H |
5 |
3 |
7852 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
8062 |
46.3 |
1.4 |
0.812 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
3 |
2 |
7912 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7839 |
15.7 |
0.7 |
0.870 |
0 |
0 |
0 |
0.000 |
| Average: |
31.0 |
1.1 |
0.841 |
0 |
0 |
0 |
0.000 |
| 33 |
50 |
|
[CMO]E:202 |
2 |
1 |
138 |
cf |
[HEM]E:201 |
x,y,z |
1_555 |
15 |
1 |
828 |
44.9 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.038 |
| 34 |
51 |
|
[CMO]G:202 |
2 |
1 |
137 |
cf |
[HEM]G:201 |
x,y,z |
1_555 |
16 |
1 |
840 |
44.9 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.036 |
| 35 |
52 |
|
[CMO]C:202 |
2 |
1 |
137 |
cf |
[HEM]C:201 |
x,y,z |
1_555 |
16 |
1 |
829 |
44.6 |
-1.9 |
0.500 |
0 |
0 |
0 |
0.036 |
| 36 |
53 |
|
[CMO]A:202 |
2 |
1 |
136 |
cf |
[HEM]A:201 |
x,y,z |
1_555 |
16 |
1 |
826 |
44.0 |
-2.0 |
0.500 |
0 |
0 |
0 |
0.038 |
| 37 |
54 |
|
C |
2 |
2 |
7807 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
7839 |
33.2 |
0.2 |
0.572 |
0 |
0 |
0 |
0.000 |
| 38 |
55 |
|
E |
2 |
1 |
7751 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
7839 |
28.5 |
-0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
| 39 |
56 |
|
F |
2 |
1 |
8062 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
7751 |
10.9 |
0.6 |
0.896 |
0 |
0 |
0 |
0.000 |
| 40 |
57 |
|
[2FU]F:202 |
2 |
1 |
228 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
7810 |
8.0 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
| 41 |
58 |
|
[HEM]G:201 |
1 |
1 |
840 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8062 |
4.7 |
0.1 |
0.875 |
0 |
0 |
0 |
0.000 |
59 |
|
[HEM]C:201 |
1 |
1 |
829 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7839 |
4.2 |
0.1 |
0.895 |
0 |
0 |
0 |
0.000 |
60 |
|
[HEM]E:201 |
1 |
1 |
828 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
7852 |
4.1 |
0.1 |
0.886 |
0 |
0 |
0 |
0.000 |
61 |
|
[HEM]A:201 |
1 |
1 |
826 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7912 |
2.8 |
0.1 |
0.879 |
0 |
0 |
0 |
0.000 |
| Average: |
3.9 |
0.1 |
0.884 |
0 |
0 |
0 |
0.000 |
| 42 |
62 |
|
F |
1 |
1 |
8062 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
7839 |
3.9 |
0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
| 43 |
63 |
|
A |
1 |
1 |
7756 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
7912 |
2.4 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
| 44 |
64 |
|
G |
1 |
1 |
7810 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
7912 |
2.3 |
-0.1 |
0.476 |
0 |
0 |
0 |
0.000 |
|