| ## |
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 |
|
E |
120 |
29 |
10684 |
◊ |
B |
x,y,z |
1_555 |
119 |
29 |
10804 |
1121.9 |
-9.9 |
0.265 |
17 |
8 |
0 |
0.941 |
2 |
|
F |
120 |
29 |
10835 |
◊ |
C |
x,y,z |
1_555 |
116 |
29 |
10483 |
1109.4 |
-10.6 |
0.247 |
19 |
7 |
0 |
0.941 |
3 |
|
D |
121 |
30 |
10842 |
◊ |
A |
x,y,z |
1_555 |
115 |
28 |
10651 |
1086.7 |
-9.5 |
0.300 |
19 |
7 |
0 |
0.941 |
| Average: |
1106.0 |
-10.0 |
0.271 |
18 |
7 |
0 |
0.941 |
| 2 |
4 |
|
C |
53 |
15 |
10483 |
◊ |
B |
x,y,z |
1_555 |
51 |
15 |
10804 |
540.3 |
-2.3 |
0.375 |
15 |
5 |
0 |
0.469 |
5 |
|
E |
48 |
14 |
10684 |
◊ |
A |
x,y,z |
1_555 |
53 |
15 |
10651 |
533.1 |
-2.1 |
0.386 |
16 |
5 |
0 |
0.469 |
6 |
|
F |
50 |
15 |
10835 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
10651 |
516.4 |
-3.2 |
0.322 |
16 |
5 |
0 |
0.469 |
7 |
|
F |
48 |
14 |
10835 |
◊ |
E |
x,y,z |
1_555 |
52 |
15 |
10684 |
511.7 |
-3.2 |
0.337 |
13 |
5 |
0 |
0.469 |
8 |
|
D |
49 |
15 |
10842 |
◊ |
C |
x,y,z |
1_555 |
49 |
14 |
10483 |
509.5 |
-3.8 |
0.301 |
15 |
5 |
0 |
0.469 |
9 |
|
D |
48 |
14 |
10842 |
◊ |
B |
x,y,z |
1_555 |
46 |
15 |
10804 |
471.8 |
-2.5 |
0.348 |
14 |
5 |
0 |
0.469 |
| Average: |
513.8 |
-2.9 |
0.345 |
15 |
5 |
0 |
0.469 |
| 3 |
10 |
|
A |
54 |
15 |
10651 |
◊ |
B |
x-1,y,z |
1_455 |
53 |
12 |
10804 |
474.1 |
-3.8 |
0.391 |
5 |
1 |
0 |
0.000 |
| 4 |
11 |
|
F |
52 |
15 |
10835 |
◊ |
A |
x,y,z-1 |
1_554 |
48 |
14 |
10651 |
458.1 |
-5.3 |
0.264 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
43 |
15 |
10483 |
◊ |
D |
x,y,z-1 |
1_554 |
41 |
13 |
10842 |
390.3 |
-2.8 |
0.419 |
1 |
0 |
0 |
0.000 |
| Average: |
424.2 |
-4.1 |
0.341 |
1 |
0 |
0 |
0.000 |
| 5 |
13 |
|
F |
23 |
7 |
10835 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
23 |
7 |
10804 |
209.7 |
-3.8 |
0.178 |
2 |
0 |
0 |
0.000 |
14 |
|
D |
22 |
7 |
10842 |
◊ |
E |
x-1,y-1,z |
1_445 |
23 |
7 |
10684 |
194.3 |
-3.9 |
0.168 |
1 |
0 |
0 |
0.000 |
| Average: |
202.0 |
-3.8 |
0.173 |
2 |
0 |
0 |
0.000 |
| 6 |
15 |
|
D |
18 |
7 |
10842 |
◊ |
E |
x,y-1,z |
1_545 |
13 |
7 |
10684 |
152.0 |
0.3 |
0.510 |
1 |
2 |
0 |
0.000 |
| 7 |
16 |
|
[EDO]A:301 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
10651 |
103.5 |
3.3 |
0.513 |
1 |
0 |
0 |
0.000 |
| 8 |
17 |
|
[EDO]C:301 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
10483 |
98.1 |
3.5 |
0.528 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]B:301 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
10804 |
97.4 |
3.4 |
0.518 |
2 |
0 |
0 |
0.000 |
19 |
|
[EDO]E:301 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
10684 |
96.5 |
3.4 |
0.521 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]D:301 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
10842 |
96.4 |
3.5 |
0.526 |
2 |
0 |
0 |
0.000 |
| Average: |
97.1 |
3.5 |
0.523 |
2 |
0 |
0 |
0.000 |
| 9 |
21 |
|
[EDO]A:302 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
10651 |
97.0 |
3.4 |
0.522 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]F:301 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
10835 |
96.2 |
3.5 |
0.517 |
1 |
0 |
0 |
0.000 |
| Average: |
96.6 |
3.4 |
0.520 |
2 |
0 |
0 |
0.000 |
| 10 |
23 |
|
[ACT]D:302 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
10483 |
66.8 |
0.6 |
0.838 |
0 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[ACT]C:302 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
10804 |
65.0 |
0.5 |
0.721 |
0 |
0 |
0 |
0.000 |
25 |
|
[ACT]A:304 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
10651 |
64.2 |
0.5 |
0.763 |
0 |
0 |
0 |
0.000 |
26 |
|
[ACT]B:302 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
10842 |
63.7 |
0.6 |
0.838 |
0 |
0 |
0 |
0.000 |
| Average: |
64.3 |
0.5 |
0.774 |
0 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[ACT]A:303 |
4 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
10684 |
63.7 |
0.6 |
0.736 |
0 |
0 |
0 |
0.000 |
| 13 |
28 |
|
[NA]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
10842 |
63.3 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.533 |
29 |
|
[NA]F:302 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
10835 |
63.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.533 |
30 |
|
[NA]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
10804 |
62.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.533 |
31 |
|
[NA]E:303 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
10684 |
62.1 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.533 |
| Average: |
62.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.533 |
| 14 |
32 |
|
[ACT]E:302 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
10835 |
62.4 |
0.5 |
0.832 |
0 |
0 |
0 |
0.000 |
| 15 |
33 |
|
[ACT]C:302 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
10 |
2 |
10483 |
58.2 |
0.8 |
0.777 |
1 |
0 |
0 |
0.000 |
34 |
|
[ACT]B:302 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
10804 |
56.7 |
0.8 |
0.794 |
1 |
0 |
0 |
0.000 |
35 |
|
[ACT]E:302 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
10 |
2 |
10684 |
56.5 |
0.8 |
0.797 |
1 |
0 |
0 |
0.000 |
36 |
|
[ACT]A:304 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
10 |
2 |
10835 |
54.1 |
0.8 |
0.783 |
1 |
0 |
0 |
0.000 |
| Average: |
56.4 |
0.8 |
0.788 |
1 |
0 |
0 |
0.000 |
| 16 |
37 |
|
[ACT]A:303 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
10651 |
58.2 |
0.8 |
0.773 |
1 |
0 |
0 |
0.000 |
| 17 |
38 |
|
B |
8 |
2 |
10804 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
10651 |
57.8 |
-2.8 |
0.072 |
0 |
0 |
0 |
0.064 |
39 |
|
E |
8 |
2 |
10684 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
10483 |
57.8 |
-2.8 |
0.071 |
0 |
0 |
0 |
0.064 |
40 |
|
F |
8 |
2 |
10835 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
10842 |
57.4 |
-2.8 |
0.070 |
0 |
0 |
0 |
0.064 |
| Average: |
57.7 |
-2.8 |
0.071 |
0 |
0 |
0 |
0.064 |
| 18 |
41 |
|
[ACT]D:302 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
10842 |
53.9 |
0.8 |
0.812 |
1 |
0 |
0 |
0.000 |
| 19 |
42 |
|
E |
5 |
3 |
10684 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
10804 |
51.1 |
-0.5 |
0.430 |
0 |
0 |
0 |
0.000 |
| 20 |
43 |
|
[EDO]E:301 |
3 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
10835 |
49.8 |
1.4 |
0.835 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]C:301 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
10804 |
49.4 |
1.4 |
0.834 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]B:301 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
10842 |
48.5 |
1.4 |
0.837 |
0 |
0 |
0 |
0.000 |
| Average: |
49.2 |
1.4 |
0.835 |
0 |
0 |
0 |
0.000 |
| 21 |
46 |
|
[EDO]F:301 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
10651 |
49.0 |
1.4 |
0.843 |
0 |
0 |
0 |
0.000 |
| 22 |
47 |
|
[EDO]D:301 |
3 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
10483 |
48.2 |
1.4 |
0.841 |
0 |
0 |
0 |
0.000 |
| 23 |
48 |
|
[EDO]A:302 |
3 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
10684 |
46.9 |
1.3 |
0.838 |
0 |
0 |
0 |
0.000 |
| 24 |
49 |
|
[EDO]A:301 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
10842 |
23.1 |
1.5 |
0.983 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
C |
2 |
2 |
10483 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
10651 |
22.7 |
-0.6 |
0.215 |
0 |
0 |
0 |
0.000 |
| 26 |
51 |
|
A |
2 |
1 |
10651 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
10483 |
22.3 |
-0.2 |
0.466 |
0 |
0 |
0 |
0.000 |
| 27 |
52 |
|
C |
1 |
1 |
10483 |
◊ |
F |
x,y-1,z |
1_545 |
3 |
1 |
10835 |
8.1 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
| 28 |
53 |
|
[NA]F:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
10483 |
8.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.019 |
54 |
|
[NA]B:303 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
10684 |
4.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.019 |
55 |
|
[NA]E:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10804 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.019 |
56 |
|
[NA]D:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10651 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
3.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.019 |
| 29 |
57 |
|
A |
1 |
1 |
10651 |
◊ |
E |
x-1,y-1,z |
1_445 |
2 |
1 |
10684 |
4.4 |
0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
58 |
|
D |
1 |
1 |
10842 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
10804 |
3.8 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
| Average: |
4.1 |
0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
|