## |
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 |
|
D |
87 |
28 |
20109 |
◊ |
C |
x,y,z-1 |
1_554 |
90 |
29 |
20120 |
760.9 |
-4.1 |
0.446 |
4 |
4 |
0 |
0.000 |
2 |
|
B |
85 |
28 |
20148 |
◊ |
A |
x,y,z |
1_555 |
83 |
27 |
20565 |
731.2 |
-6.8 |
0.230 |
4 |
4 |
0 |
0.000 |
Average: |
746.1 |
-5.4 |
0.338 |
4 |
4 |
0 |
0.000 |
2 |
3 |
|
C |
68 |
19 |
20120 |
◊ |
B |
x-1,y,z |
1_455 |
69 |
20 |
20148 |
603.0 |
-4.0 |
0.373 |
0 |
1 |
0 |
0.000 |
4 |
|
D |
71 |
23 |
20109 |
◊ |
A |
x,y,z |
1_555 |
67 |
22 |
20565 |
601.3 |
-3.7 |
0.405 |
2 |
1 |
0 |
0.000 |
5 |
|
C |
67 |
19 |
20120 |
◊ |
B |
x,y,z |
1_555 |
67 |
19 |
20148 |
597.6 |
-3.4 |
0.408 |
3 |
1 |
0 |
0.000 |
6 |
|
D |
68 |
21 |
20109 |
◊ |
A |
x-1,y,z |
1_455 |
68 |
21 |
20565 |
589.3 |
-3.0 |
0.451 |
1 |
1 |
0 |
0.000 |
Average: |
597.8 |
-3.5 |
0.409 |
2 |
1 |
0 |
0.000 |
3 |
7 |
|
D |
62 |
22 |
20109 |
◊ |
C |
x,y,z |
1_555 |
61 |
21 |
20120 |
581.3 |
-0.4 |
0.652 |
7 |
4 |
0 |
0.000 |
8 |
|
A |
57 |
21 |
20565 |
◊ |
B |
x,y,z-1 |
1_554 |
66 |
23 |
20148 |
572.5 |
-0.3 |
0.627 |
8 |
4 |
0 |
0.000 |
Average: |
576.9 |
-0.3 |
0.639 |
8 |
4 |
0 |
0.000 |
4 |
9 |
|
B |
32 |
9 |
20148 |
◊ |
A |
x-1,y,z+1 |
1_456 |
30 |
9 |
20565 |
323.5 |
-4.3 |
0.168 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
32 |
10 |
20120 |
◊ |
D |
x-1,y,z |
1_455 |
28 |
9 |
20109 |
300.6 |
-4.3 |
0.169 |
2 |
0 |
0 |
0.000 |
Average: |
312.0 |
-4.3 |
0.169 |
2 |
0 |
0 |
0.000 |
5 |
11 |
|
[MAL]B:501 |
23 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
50 |
18 |
20148 |
321.7 |
2.2 |
0.527 |
9 |
0 |
0 |
0.185 |
12 |
|
[MAL]A:501 |
23 |
1 |
459 |
f |
A |
x,y,z |
1_555 |
50 |
19 |
20565 |
319.8 |
2.3 |
0.512 |
9 |
0 |
0 |
0.185 |
13 |
|
[MAL]C:501 |
23 |
1 |
461 |
f |
C |
x,y,z |
1_555 |
51 |
19 |
20120 |
316.2 |
1.9 |
0.505 |
10 |
0 |
0 |
0.185 |
14 |
|
[MAL]D:501 |
23 |
1 |
458 |
f |
D |
x,y,z |
1_555 |
50 |
19 |
20109 |
315.7 |
1.7 |
0.488 |
10 |
0 |
0 |
0.185 |
Average: |
318.3 |
2.0 |
0.508 |
10 |
0 |
0 |
0.185 |
6 |
15 |
|
B |
28 |
10 |
20148 |
◊ |
C |
-x-2,y-1/2,-z+2 |
2_347 |
27 |
11 |
20120 |
238.9 |
1.1 |
0.720 |
3 |
2 |
0 |
0.000 |
16 |
|
A |
29 |
12 |
20565 |
◊ |
D |
-x-2,y-1/2,-z+1 |
2_346 |
29 |
10 |
20109 |
235.7 |
1.0 |
0.714 |
3 |
2 |
0 |
0.000 |
Average: |
237.3 |
1.1 |
0.717 |
3 |
2 |
0 |
0.000 |
7 |
17 |
|
C |
14 |
5 |
20120 |
x |
C |
x-1,y,z |
1_455 |
17 |
6 |
20120 |
147.0 |
0.9 |
0.663 |
0 |
0 |
0 |
0.000 |
18 |
|
B |
14 |
4 |
20148 |
x |
B |
x-1,y,z |
1_455 |
18 |
7 |
20148 |
143.0 |
1.1 |
0.735 |
2 |
0 |
0 |
0.000 |
19 |
|
A |
17 |
7 |
20565 |
x |
A |
x-1,y,z |
1_455 |
13 |
5 |
20565 |
132.7 |
-0.0 |
0.588 |
1 |
0 |
0 |
0.000 |
20 |
|
D |
14 |
6 |
20109 |
x |
D |
x-1,y,z |
1_455 |
12 |
4 |
20109 |
101.7 |
-0.4 |
0.551 |
0 |
0 |
0 |
0.000 |
Average: |
131.1 |
0.4 |
0.634 |
1 |
0 |
0 |
0.000 |
8 |
21 |
|
[EDO]C:502 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
20 |
11 |
20120 |
103.9 |
3.5 |
0.463 |
1 |
0 |
0 |
0.000 |
9 |
22 |
|
[EDO]A:502 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
20565 |
103.4 |
2.5 |
0.315 |
1 |
0 |
0 |
0.000 |
10 |
23 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
20120 |
103.3 |
2.1 |
0.383 |
2 |
0 |
0 |
0.000 |
11 |
24 |
|
[EDO]A:504 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
20565 |
102.6 |
2.8 |
0.325 |
0 |
0 |
0 |
0.000 |
12 |
25 |
|
[ACT]B:502 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
20148 |
101.4 |
-1.3 |
0.516 |
1 |
0 |
0 |
0.063 |
26 |
|
[ACT]D:502 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
20109 |
101.2 |
-1.3 |
0.524 |
1 |
0 |
0 |
0.063 |
Average: |
101.3 |
-1.3 |
0.520 |
1 |
0 |
0 |
0.063 |
13 |
27 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
20565 |
100.7 |
3.5 |
0.514 |
3 |
0 |
0 |
0.000 |
14 |
28 |
|
[EDO]C:504 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
20120 |
85.8 |
2.6 |
0.424 |
2 |
0 |
0 |
0.000 |
15 |
29 |
|
[EDO]C:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
20148 |
63.5 |
0.7 |
0.597 |
0 |
0 |
0 |
0.000 |
16 |
30 |
|
[ACT]B:502 |
3 |
1 |
182 |
◊ |
C |
-x-2,y-1/2,-z+2 |
2_347 |
5 |
2 |
20120 |
33.2 |
0.8 |
0.856 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
5 |
2 |
20565 |
◊ |
[ACT]D:502 |
-x-2,y-1/2,-z+1 |
2_346 |
3 |
1 |
182 |
32.9 |
0.8 |
0.852 |
0 |
0 |
0 |
0.000 |
Average: |
33.1 |
0.8 |
0.854 |
0 |
0 |
0 |
0.000 |
17 |
32 |
|
A |
3 |
1 |
20565 |
◊ |
C |
-x-2,y-1/2,-z+1 |
2_346 |
2 |
1 |
20120 |
22.5 |
0.8 |
0.804 |
0 |
0 |
0 |
0.000 |
18 |
33 |
|
[EDO]A:503 |
1 |
1 |
185 |
f |
[MAL]A:501 |
x,y,z |
1_555 |
1 |
1 |
459 |
1.6 |
0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
19 |
34 |
|
D |
1 |
1 |
20109 |
f |
[EDO]C:502 |
x,y,z-1 |
1_554 |
1 |
1 |
183 |
1.0 |
0.0 |
0.847 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
[EDO]A:502 |
1 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
20148 |
0.9 |
0.0 |
0.843 |
0 |
0 |
0 |
0.000 |
|