| ## |
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 |
80 |
23 |
17694 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
93 |
29 |
17525 |
775.0 |
-1.7 |
0.380 |
9 |
3 |
0 |
0.000 |
| 2 |
2 |
|
B |
74 |
24 |
17694 |
◊ |
B |
-y-1,-x-1,-z+1/6 |
10_445 |
76 |
24 |
17694 |
655.2 |
-7.5 |
0.077 |
12 |
0 |
0 |
0.030 |
| 3 |
3 |
|
B |
80 |
29 |
17694 |
◊ |
A |
x,y,z |
1_555 |
64 |
24 |
17525 |
632.4 |
2.5 |
0.699 |
7 |
2 |
0 |
0.000 |
| 4 |
4 |
|
C |
37 |
4 |
901 |
◊ |
A |
x,y,z |
1_555 |
79 |
31 |
17525 |
499.2 |
1.0 |
0.393 |
16 |
7 |
0 |
0.316 |
5 |
|
D |
38 |
4 |
897 |
◊ |
B |
x,y,z |
1_555 |
79 |
33 |
17694 |
493.9 |
-0.1 |
0.314 |
13 |
5 |
0 |
0.316 |
| Average: |
496.6 |
0.5 |
0.354 |
15 |
6 |
0 |
0.316 |
| 5 |
6 |
|
B |
35 |
11 |
17694 |
◊ |
A |
-y-1,-x-1,-z+1/6 |
10_445 |
27 |
11 |
17525 |
242.6 |
0.2 |
0.559 |
4 |
2 |
0 |
0.000 |
| 6 |
7 |
|
B |
25 |
7 |
17694 |
◊ |
B |
x,x-y-1,-z-1/6 |
12_544 |
25 |
7 |
17694 |
202.3 |
0.1 |
0.556 |
2 |
4 |
0 |
0.000 |
| 7 |
8 |
|
[NDG]B:904 |
10 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
17694 |
103.1 |
3.7 |
0.402 |
1 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[NDG]A:904 |
9 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
17525 |
101.6 |
3.5 |
0.399 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[MLA]A:908 |
7 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
17525 |
99.0 |
-2.6 |
0.543 |
0 |
0 |
0 |
0.102 |
| 10 |
11 |
|
[NDG]A:903 |
9 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
17525 |
92.8 |
3.0 |
0.376 |
0 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[NDG]B:905 |
10 |
1 |
359 |
cf |
[NDG]B:904 |
x,y,z |
1_555 |
6 |
1 |
363 |
83.8 |
2.8 |
0.094 |
0 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[NDG]B:903 |
10 |
1 |
336 |
cf |
B |
x,y,z |
1_555 |
7 |
3 |
17694 |
82.0 |
2.4 |
0.226 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
A |
9 |
3 |
17525 |
◊ |
A |
-y,-x,-z+1/6 |
10_555 |
9 |
3 |
17525 |
81.4 |
1.5 |
0.822 |
2 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[ACE]D:1 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
17694 |
78.2 |
-1.0 |
0.657 |
1 |
0 |
0 |
0.067 |
| 15 |
16 |
|
[ACE]C:1 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
17525 |
75.1 |
-1.0 |
0.665 |
1 |
0 |
0 |
0.056 |
| 16 |
17 |
|
[MLA]A:908 |
7 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
17694 |
70.7 |
-2.3 |
0.615 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[NDG]A:905 |
9 |
1 |
359 |
cf |
[NDG]A:904 |
x,y,z |
1_555 |
7 |
1 |
362 |
69.7 |
2.2 |
0.050 |
0 |
0 |
0 |
0.000 |
| 18 |
19 |
|
C |
11 |
2 |
901 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
17694 |
67.5 |
1.1 |
0.583 |
0 |
1 |
0 |
0.000 |
| 19 |
20 |
|
[ACE]C:1 |
3 |
1 |
172 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
901 |
64.7 |
-0.8 |
0.578 |
0 |
0 |
0 |
0.033 |
| 20 |
21 |
|
[NA]A:907 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
17525 |
64.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.596 |
22 |
|
[NA]B:907 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
17694 |
64.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.596 |
| Average: |
64.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.596 |
| 21 |
23 |
|
[ACE]D:1 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
897 |
63.4 |
-0.6 |
0.575 |
0 |
0 |
0 |
0.031 |
| 22 |
24 |
|
[0QE]C:6 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
9 |
7 |
17525 |
52.6 |
2.7 |
0.876 |
0 |
0 |
0 |
0.000 |
25 |
|
[0QE]D:6 |
1 |
1 |
129 |
c |
B |
x,y,z |
1_555 |
10 |
7 |
17694 |
49.8 |
2.8 |
0.871 |
0 |
0 |
0 |
0.000 |
| Average: |
51.2 |
2.8 |
0.873 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[CA]B:902 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
9 |
17694 |
47.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.543 |
27 |
|
[CA]A:901 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
9 |
17525 |
46.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.543 |
| Average: |
46.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.543 |
| 24 |
28 |
|
[0QE]C:6 |
1 |
1 |
129 |
cf |
C |
x,y,z |
1_555 |
7 |
2 |
901 |
45.7 |
1.5 |
0.547 |
0 |
0 |
0 |
0.000 |
29 |
|
[0QE]D:6 |
1 |
1 |
129 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
897 |
44.5 |
1.4 |
0.542 |
0 |
0 |
0 |
0.000 |
| Average: |
45.1 |
1.4 |
0.544 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[CA]A:901 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
901 |
10.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.057 |
31 |
|
[CA]B:902 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
897 |
9.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
10.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| 26 |
32 |
|
[MLA]A:908 |
3 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
901 |
9.9 |
-0.1 |
0.742 |
0 |
0 |
0 |
0.006 |
| 27 |
33 |
|
D |
1 |
1 |
897 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
2 |
1 |
17525 |
8.9 |
-0.1 |
0.463 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[0QE]C:6 |
1 |
1 |
129 |
◊ |
[MLA]A:908 |
x,y,z |
1_555 |
3 |
1 |
222 |
3.8 |
-0.1 |
0.904 |
0 |
0 |
0 |
0.004 |
| 29 |
35 |
|
[0QE]D:6 |
1 |
1 |
129 |
◊ |
A |
x-y-1,-y-1,-z |
8_445 |
1 |
1 |
17525 |
0.9 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
|