| ## |
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 |
274 |
78 |
25072 |
◊ |
A |
x,y,z |
1_555 |
265 |
77 |
25149 |
2554.2 |
-27.4 |
0.086 |
35 |
4 |
0 |
0.648 |
2 |
|
D |
271 |
80 |
25198 |
◊ |
C |
x,y,z |
1_555 |
263 |
76 |
25170 |
2515.1 |
-27.1 |
0.088 |
37 |
4 |
0 |
0.648 |
| Average: |
2534.6 |
-27.3 |
0.087 |
36 |
4 |
0 |
0.648 |
| 2 |
3 |
|
C |
118 |
34 |
25170 |
◊ |
B |
x,y,z |
1_555 |
114 |
34 |
25072 |
1131.6 |
-14.5 |
0.094 |
13 |
0 |
0 |
0.216 |
4 |
|
D |
116 |
34 |
25198 |
◊ |
A |
x,y,z |
1_555 |
121 |
35 |
25149 |
1083.9 |
-13.3 |
0.122 |
8 |
0 |
0 |
0.216 |
| Average: |
1107.8 |
-13.9 |
0.108 |
11 |
0 |
0 |
0.216 |
| 3 |
5 |
|
[FDA]B:801 |
53 |
1 |
1010 |
cf |
B |
x,y,z |
1_555 |
108 |
45 |
25072 |
720.1 |
-10.5 |
0.414 |
13 |
0 |
0 |
0.465 |
6 |
|
[FDA]C:801 |
53 |
1 |
1003 |
cf |
C |
x,y,z |
1_555 |
101 |
43 |
25170 |
715.2 |
-10.3 |
0.384 |
13 |
0 |
0 |
0.465 |
7 |
|
[FDA]A:801 |
53 |
1 |
1002 |
cf |
A |
x,y,z |
1_555 |
100 |
43 |
25149 |
708.8 |
-10.8 |
0.381 |
11 |
0 |
0 |
0.465 |
8 |
|
[FDA]D:801 |
53 |
1 |
993 |
cf |
D |
x,y,z |
1_555 |
106 |
45 |
25198 |
708.8 |
-9.8 |
0.413 |
13 |
0 |
0 |
0.465 |
| Average: |
713.2 |
-10.4 |
0.398 |
13 |
0 |
0 |
0.465 |
| 4 |
9 |
|
D |
42 |
14 |
25198 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
25072 |
450.8 |
-10.4 |
0.016 |
0 |
0 |
0 |
0.121 |
10 |
|
C |
39 |
14 |
25170 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
25149 |
445.2 |
-10.4 |
0.011 |
0 |
0 |
0 |
0.121 |
| Average: |
448.0 |
-10.4 |
0.014 |
0 |
0 |
0 |
0.121 |
| 5 |
11 |
|
B |
50 |
21 |
25072 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
42 |
16 |
25149 |
415.2 |
-3.2 |
0.338 |
0 |
0 |
0 |
0.000 |
| 6 |
12 |
|
B |
43 |
15 |
25072 |
x |
B |
-x,y-1/2,-z+2 |
2_547 |
30 |
10 |
25072 |
322.1 |
0.2 |
0.752 |
3 |
0 |
0 |
0.000 |
| 7 |
13 |
|
D |
35 |
12 |
25198 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
30 |
9 |
25170 |
299.0 |
-2.4 |
0.319 |
3 |
0 |
0 |
0.000 |
| 8 |
14 |
|
D |
35 |
13 |
25198 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
33 |
16 |
25198 |
291.2 |
-0.5 |
0.667 |
2 |
1 |
0 |
0.000 |
| 9 |
15 |
|
B |
26 |
10 |
25072 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
32 |
13 |
25149 |
259.5 |
-0.4 |
0.500 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
A |
17 |
7 |
25149 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
26 |
10 |
25149 |
206.2 |
0.9 |
0.797 |
5 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[MES]B:804 |
12 |
1 |
330 |
◊ |
B |
x,y,z |
1_555 |
30 |
11 |
25072 |
183.9 |
5.3 |
0.425 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[MES]D:803 |
12 |
1 |
329 |
◊ |
D |
x,y,z |
1_555 |
30 |
11 |
25198 |
181.8 |
5.3 |
0.452 |
0 |
0 |
0 |
0.000 |
19 |
|
[MES]A:804 |
11 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
25149 |
175.2 |
4.4 |
0.316 |
0 |
0 |
0 |
0.000 |
| Average: |
178.5 |
4.9 |
0.384 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[G3F]C:802 |
12 |
1 |
308 |
f |
C |
x,y,z |
1_555 |
32 |
13 |
25170 |
170.4 |
3.3 |
0.526 |
6 |
0 |
0 |
0.002 |
21 |
|
[G3F]B:802 |
12 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
32 |
14 |
25072 |
170.4 |
3.3 |
0.582 |
7 |
0 |
0 |
0.002 |
22 |
|
[G3F]D:802 |
12 |
1 |
305 |
f |
D |
x,y,z |
1_555 |
32 |
13 |
25198 |
169.6 |
3.4 |
0.567 |
8 |
0 |
0 |
0.002 |
23 |
|
[G3F]A:802 |
12 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
32 |
14 |
25149 |
169.1 |
3.4 |
0.554 |
6 |
0 |
0 |
0.002 |
| Average: |
169.9 |
3.3 |
0.557 |
7 |
0 |
0 |
0.002 |
| 14 |
24 |
|
B |
14 |
6 |
25072 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
7 |
25149 |
150.8 |
-0.6 |
0.555 |
3 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[12P]B:803 |
13 |
1 |
484 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
25072 |
147.9 |
-0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
26 |
|
[12P]A:805 |
12 |
1 |
443 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
25198 |
146.3 |
0.1 |
0.495 |
0 |
0 |
0 |
0.000 |
| Average: |
147.1 |
0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[MES]C:803 |
11 |
1 |
330 |
◊ |
C |
x,y,z |
1_555 |
25 |
9 |
25170 |
142.4 |
3.0 |
0.103 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[MES]D:804 |
10 |
1 |
332 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
25198 |
138.6 |
3.7 |
0.243 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[12P]A:803 |
11 |
1 |
479 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
25149 |
137.7 |
0.1 |
0.423 |
0 |
0 |
0 |
0.001 |
30 |
|
[12P]B:805 |
11 |
1 |
386 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
25170 |
134.9 |
-0.1 |
0.387 |
0 |
0 |
0 |
0.001 |
| Average: |
136.3 |
0.0 |
0.405 |
0 |
0 |
0 |
0.001 |
| 19 |
31 |
|
C |
12 |
6 |
25170 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
10 |
25170 |
122.0 |
-1.7 |
0.288 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[MES]D:804 |
9 |
1 |
332 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
16 |
7 |
25198 |
115.9 |
4.0 |
0.233 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[12P]A:803 |
8 |
1 |
479 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
25198 |
84.9 |
1.8 |
0.358 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[12P]B:803 |
6 |
1 |
484 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
25170 |
84.7 |
1.9 |
0.405 |
0 |
0 |
0 |
0.000 |
35 |
|
[12P]A:805 |
6 |
1 |
443 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
25149 |
75.8 |
1.6 |
0.470 |
0 |
0 |
0 |
0.000 |
36 |
|
[12P]B:805 |
5 |
1 |
386 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
25072 |
68.4 |
1.8 |
0.496 |
0 |
0 |
0 |
0.000 |
| Average: |
76.3 |
1.7 |
0.457 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
[MES]A:804 |
8 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
25072 |
84.1 |
1.1 |
0.039 |
0 |
0 |
0 |
0.000 |
38 |
|
[MES]B:804 |
8 |
1 |
330 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
25149 |
81.7 |
1.2 |
0.081 |
0 |
0 |
0 |
0.000 |
39 |
|
[MES]D:803 |
10 |
1 |
329 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
25170 |
79.1 |
1.6 |
0.058 |
0 |
0 |
0 |
0.000 |
| Average: |
81.6 |
1.3 |
0.059 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
[G3F]A:802 |
8 |
1 |
309 |
f |
[FDA]A:801 |
x,y,z |
1_555 |
15 |
1 |
1002 |
75.5 |
1.8 |
0.325 |
1 |
0 |
0 |
0.000 |
41 |
|
[G3F]C:802 |
8 |
1 |
308 |
f |
[FDA]C:801 |
x,y,z |
1_555 |
17 |
1 |
1003 |
72.4 |
1.8 |
0.346 |
1 |
0 |
0 |
0.000 |
42 |
|
[G3F]B:802 |
8 |
1 |
305 |
f |
[FDA]B:801 |
x,y,z |
1_555 |
17 |
1 |
1010 |
72.2 |
1.7 |
0.353 |
2 |
0 |
0 |
0.000 |
43 |
|
[G3F]D:802 |
8 |
1 |
305 |
f |
[FDA]D:801 |
x,y,z |
1_555 |
17 |
1 |
993 |
71.2 |
1.3 |
0.327 |
1 |
0 |
0 |
0.000 |
| Average: |
72.9 |
1.6 |
0.338 |
1 |
0 |
0 |
0.000 |
| 25 |
44 |
|
D |
7 |
2 |
25198 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
2 |
25170 |
43.7 |
-0.4 |
0.407 |
0 |
0 |
0 |
0.000 |
| 26 |
45 |
|
[MES]B:804 |
4 |
1 |
330 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
25170 |
35.9 |
0.4 |
0.106 |
0 |
0 |
0 |
0.000 |
46 |
|
[MES]D:803 |
5 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
25149 |
35.5 |
0.5 |
0.096 |
0 |
0 |
0 |
0.000 |
47 |
|
[MES]A:804 |
5 |
1 |
335 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
25198 |
34.0 |
0.5 |
0.046 |
0 |
0 |
0 |
0.000 |
| Average: |
35.1 |
0.4 |
0.083 |
0 |
0 |
0 |
0.000 |
| 27 |
48 |
|
C |
2 |
1 |
25170 |
f |
[MES]C:803 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
330 |
10.1 |
0.4 |
0.179 |
0 |
0 |
0 |
0.000 |
| 28 |
49 |
|
D |
4 |
3 |
25198 |
◊ |
C |
x,y-1,z |
1_545 |
2 |
2 |
25170 |
6.5 |
-0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
|