| ## |
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 |
178 |
43 |
11394 |
◊ |
A |
x,y,z |
1_555 |
182 |
47 |
11720 |
1573.0 |
-22.5 |
0.123 |
23 |
1 |
0 |
0.832 |
2 |
|
D |
180 |
45 |
11067 |
◊ |
C |
x,y,z |
1_555 |
179 |
45 |
11510 |
1572.3 |
-24.5 |
0.075 |
20 |
1 |
0 |
0.832 |
| Average: |
1572.7 |
-23.5 |
0.099 |
22 |
1 |
0 |
0.832 |
| 2 |
3 |
|
D |
153 |
47 |
11067 |
◊ |
A |
x,y,z |
1_555 |
156 |
47 |
11720 |
1451.3 |
-20.7 |
0.109 |
14 |
6 |
0 |
0.727 |
4 |
|
C |
155 |
47 |
11510 |
◊ |
B |
x,y,z |
1_555 |
154 |
47 |
11394 |
1451.1 |
-20.6 |
0.110 |
14 |
6 |
0 |
0.727 |
| Average: |
1451.2 |
-20.7 |
0.109 |
14 |
6 |
0 |
0.727 |
| 3 |
5 |
|
[NAP]A:301 |
47 |
1 |
882 |
f |
A |
x,y,z |
1_555 |
85 |
34 |
11720 |
574.3 |
-2.8 |
0.655 |
13 |
0 |
0 |
0.395 |
6 |
|
[NAP]D:301 |
48 |
1 |
877 |
f |
D |
x,y,z |
1_555 |
84 |
32 |
11067 |
570.2 |
-1.5 |
0.710 |
11 |
0 |
0 |
0.395 |
7 |
|
[NAP]C:301 |
47 |
1 |
880 |
f |
C |
x,y,z |
1_555 |
83 |
32 |
11510 |
554.1 |
-2.5 |
0.673 |
12 |
0 |
0 |
0.395 |
8 |
|
[NAP]B:301 |
47 |
1 |
882 |
f |
B |
x,y,z |
1_555 |
80 |
31 |
11394 |
552.5 |
-2.2 |
0.672 |
11 |
0 |
0 |
0.395 |
| Average: |
562.8 |
-2.2 |
0.678 |
12 |
0 |
0 |
0.395 |
| 4 |
9 |
|
A |
47 |
18 |
11720 |
◊ |
C |
x-1,y,z-1 |
1_454 |
47 |
15 |
11510 |
439.7 |
-0.9 |
0.619 |
5 |
1 |
0 |
0.041 |
| 5 |
10 |
|
A |
28 |
7 |
11720 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
34 |
11 |
11720 |
320.4 |
0.1 |
0.609 |
6 |
2 |
0 |
0.000 |
| 6 |
11 |
|
B |
31 |
9 |
11394 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
7 |
11067 |
246.7 |
0.8 |
0.799 |
2 |
3 |
0 |
0.007 |
| 7 |
12 |
|
B |
22 |
8 |
11394 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
10 |
11510 |
237.8 |
-2.9 |
0.352 |
3 |
2 |
0 |
0.000 |
| 8 |
13 |
|
C |
22 |
7 |
11510 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
11720 |
182.9 |
-3.1 |
0.281 |
2 |
0 |
0 |
0.054 |
14 |
|
D |
22 |
7 |
11067 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
11394 |
179.7 |
-3.2 |
0.294 |
2 |
0 |
0 |
0.054 |
| Average: |
181.3 |
-3.2 |
0.288 |
2 |
0 |
0 |
0.054 |
| 9 |
15 |
|
C |
16 |
4 |
11510 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
20 |
7 |
11510 |
149.9 |
0.0 |
0.713 |
1 |
3 |
0 |
0.000 |
| 10 |
16 |
|
[EDO]D:304 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
19 |
6 |
11067 |
95.8 |
3.0 |
0.541 |
4 |
0 |
0 |
0.000 |
| 11 |
17 |
|
A |
9 |
5 |
11720 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
7 |
11067 |
92.3 |
-0.7 |
0.513 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[ACT]D:303 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
11067 |
87.2 |
0.6 |
0.810 |
2 |
0 |
0 |
0.006 |
| 13 |
19 |
|
[ACT]A:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
11720 |
83.8 |
-0.8 |
0.622 |
2 |
0 |
0 |
0.087 |
20 |
|
[ACT]D:302 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
11067 |
83.8 |
-0.9 |
0.610 |
2 |
0 |
0 |
0.087 |
| Average: |
83.8 |
-0.9 |
0.616 |
2 |
0 |
0 |
0.087 |
| 14 |
21 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
11720 |
83.1 |
1.4 |
0.242 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[ACT]B:302 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
11394 |
82.8 |
-0.9 |
0.613 |
2 |
0 |
0 |
0.092 |
23 |
|
[ACT]C:302 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
11510 |
81.6 |
-0.9 |
0.613 |
2 |
0 |
0 |
0.092 |
| Average: |
82.2 |
-0.9 |
0.613 |
2 |
0 |
0 |
0.092 |
| 16 |
24 |
|
[EDO]A:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11720 |
82.0 |
2.0 |
0.238 |
1 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[EDO]C:303 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
11510 |
80.1 |
2.6 |
0.511 |
4 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[IMD]B:304 |
5 |
1 |
199 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
11394 |
79.8 |
2.1 |
0.217 |
1 |
0 |
0 |
0.000 |
27 |
|
[IMD]C:306 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
11510 |
77.3 |
2.0 |
0.212 |
1 |
0 |
0 |
0.000 |
| Average: |
78.5 |
2.1 |
0.215 |
1 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11720 |
79.6 |
1.2 |
0.680 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[IMD]B:304 |
5 |
1 |
199 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
11720 |
79.4 |
2.2 |
0.223 |
1 |
0 |
0 |
0.000 |
30 |
|
[IMD]C:306 |
5 |
1 |
197 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
11067 |
78.5 |
2.2 |
0.214 |
1 |
0 |
0 |
0.000 |
| Average: |
78.9 |
2.2 |
0.219 |
1 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[EDO]C:305 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
11510 |
79.1 |
2.5 |
0.297 |
2 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[EDO]A:306 |
4 |
1 |
184 |
◊ |
C |
x-1,y,z-1 |
1_454 |
15 |
5 |
11510 |
75.2 |
1.3 |
0.248 |
1 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[EDO]C:304 |
4 |
1 |
183 |
f |
[NAP]C:301 |
x,y,z |
1_555 |
17 |
1 |
880 |
71.3 |
1.2 |
0.253 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[EDO]B:303 |
4 |
1 |
183 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
16 |
1 |
882 |
70.4 |
1.3 |
0.252 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[EDO]D:305 |
4 |
1 |
183 |
f |
[NAP]D:301 |
x,y,z |
1_555 |
16 |
1 |
877 |
69.0 |
0.9 |
0.704 |
3 |
0 |
0 |
0.010 |
| 26 |
36 |
|
[EDO]D:305 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
11067 |
68.7 |
1.5 |
0.256 |
1 |
0 |
0 |
0.000 |
| 27 |
37 |
|
A |
8 |
3 |
11720 |
◊ |
[EDO]A:307 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
185 |
65.7 |
1.2 |
0.178 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[EDO]A:306 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
11720 |
64.9 |
1.7 |
0.307 |
2 |
0 |
0 |
0.000 |
| 29 |
39 |
|
D |
9 |
3 |
11067 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
12 |
5 |
11510 |
62.7 |
-0.4 |
0.543 |
0 |
0 |
0 |
0.000 |
| 30 |
40 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
[NAP]A:301 |
x,y,z |
1_555 |
16 |
1 |
882 |
62.6 |
1.1 |
0.244 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[EDO]B:303 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11394 |
62.5 |
1.1 |
0.810 |
2 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[EDO]C:304 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
11510 |
59.2 |
0.9 |
0.794 |
1 |
0 |
0 |
0.000 |
| 33 |
43 |
|
B |
6 |
3 |
11394 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
1 |
11394 |
57.3 |
-0.5 |
0.456 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
[EDO]A:307 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11720 |
55.6 |
1.5 |
0.274 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
[ACT]D:302 |
4 |
1 |
185 |
f |
[NAP]D:301 |
x,y,z |
1_555 |
10 |
1 |
877 |
50.3 |
-0.8 |
0.601 |
0 |
0 |
0 |
0.020 |
| 36 |
46 |
|
[ACT]B:302 |
4 |
1 |
183 |
f |
[NAP]B:301 |
x,y,z |
1_555 |
9 |
1 |
882 |
49.2 |
-0.8 |
0.585 |
0 |
0 |
0 |
0.040 |
47 |
|
[ACT]C:302 |
4 |
1 |
183 |
f |
[NAP]C:301 |
x,y,z |
1_555 |
9 |
1 |
880 |
48.6 |
-0.8 |
0.593 |
0 |
0 |
0 |
0.040 |
| Average: |
48.9 |
-0.8 |
0.589 |
0 |
0 |
0 |
0.040 |
| 37 |
48 |
|
[ACT]A:302 |
4 |
1 |
184 |
f |
[NAP]A:301 |
x,y,z |
1_555 |
9 |
1 |
882 |
47.9 |
-0.8 |
0.587 |
0 |
0 |
0 |
0.019 |
| 38 |
49 |
|
B |
4 |
3 |
11394 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
11720 |
46.9 |
-0.7 |
0.304 |
0 |
0 |
0 |
0.009 |
| 39 |
50 |
|
A |
8 |
3 |
11720 |
f |
[EDO]C:303 |
x-1,y,z-1 |
1_454 |
4 |
1 |
184 |
45.7 |
0.3 |
0.623 |
0 |
0 |
0 |
0.000 |
| 40 |
51 |
|
C |
5 |
2 |
11510 |
f |
[EDO]C:305 |
-x+2,y-1/2,-z+1 |
2_746 |
3 |
1 |
186 |
43.0 |
2.1 |
0.978 |
2 |
0 |
0 |
0.000 |
| 41 |
52 |
|
A |
8 |
3 |
11720 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
3 |
11067 |
38.2 |
0.9 |
0.789 |
1 |
1 |
0 |
0.000 |
| 42 |
53 |
|
[EDO]D:304 |
3 |
1 |
185 |
◊ |
[NAP]D:301 |
x,y,z |
1_555 |
6 |
1 |
877 |
34.9 |
1.7 |
0.857 |
0 |
0 |
0 |
0.000 |
| 43 |
54 |
|
B |
5 |
2 |
11394 |
f |
[EDO]D:304 |
x-1,y,z |
1_455 |
2 |
1 |
185 |
31.4 |
0.9 |
0.898 |
1 |
0 |
0 |
0.000 |
| 44 |
55 |
|
[EDO]A:306 |
3 |
1 |
184 |
f |
[EDO]C:303 |
x-1,y,z-1 |
1_454 |
3 |
1 |
184 |
29.1 |
1.5 |
1.000 |
1 |
0 |
0 |
0.000 |
| 45 |
56 |
|
[EDO]C:304 |
2 |
1 |
183 |
f |
[ACT]C:302 |
x,y,z |
1_555 |
3 |
1 |
183 |
26.9 |
0.8 |
0.935 |
0 |
0 |
0 |
0.000 |
| 46 |
57 |
|
[EDO]A:305 |
2 |
1 |
185 |
f |
[ACT]A:302 |
x,y,z |
1_555 |
3 |
1 |
184 |
26.1 |
0.8 |
0.935 |
1 |
0 |
0 |
0.000 |
| 47 |
58 |
|
[EDO]B:303 |
2 |
1 |
183 |
f |
[ACT]B:302 |
x,y,z |
1_555 |
3 |
1 |
183 |
23.7 |
0.6 |
0.935 |
1 |
0 |
0 |
0.000 |
| 48 |
59 |
|
[EDO]D:305 |
1 |
1 |
183 |
f |
[ACT]D:302 |
x,y,z |
1_555 |
3 |
1 |
185 |
21.8 |
0.4 |
0.935 |
1 |
0 |
0 |
0.000 |
| 49 |
60 |
|
B |
1 |
1 |
11394 |
f |
[EDO]A:307 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
185 |
8.8 |
0.2 |
0.495 |
0 |
0 |
0 |
0.000 |
| 50 |
61 |
|
[EDO]A:303 |
1 |
1 |
185 |
f |
[NAP]A:301 |
x,y,z |
1_555 |
1 |
1 |
882 |
7.2 |
-0.3 |
0.382 |
0 |
0 |
0 |
0.007 |
|