| ## |
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 |
|
[NDP]C:201 |
48 |
1 |
925 |
f |
C |
x,y,z |
1_555 |
87 |
32 |
8862 |
658.1 |
-3.7 |
0.482 |
22 |
0 |
0 |
0.067 |
2 |
|
[NDP]D:201 |
48 |
1 |
927 |
f |
D |
x,y,z |
1_555 |
89 |
31 |
8978 |
657.2 |
-3.0 |
0.500 |
22 |
0 |
0 |
0.067 |
3 |
|
[NDP]A:201 |
48 |
1 |
925 |
f |
A |
x,y,z |
1_555 |
88 |
31 |
9001 |
654.0 |
-3.4 |
0.484 |
24 |
0 |
0 |
0.067 |
4 |
|
[NDP]B:201 |
48 |
1 |
928 |
f |
B |
x,y,z |
1_555 |
88 |
32 |
8851 |
653.7 |
-3.4 |
0.507 |
23 |
0 |
0 |
0.067 |
| Average: |
655.7 |
-3.4 |
0.493 |
23 |
0 |
0 |
0.067 |
| 2 |
5 |
|
A |
54 |
15 |
9001 |
◊ |
D |
x-1,y-1,z |
1_445 |
65 |
20 |
8978 |
558.1 |
-4.2 |
0.342 |
6 |
0 |
0 |
0.000 |
6 |
|
B |
53 |
13 |
8851 |
◊ |
A |
x,y,z |
1_555 |
61 |
19 |
9001 |
541.2 |
-4.8 |
0.303 |
6 |
0 |
0 |
0.000 |
7 |
|
D |
57 |
15 |
8978 |
◊ |
C |
x,y,z |
1_555 |
65 |
20 |
8862 |
529.1 |
-3.7 |
0.405 |
6 |
0 |
0 |
0.000 |
8 |
|
B |
64 |
21 |
8851 |
◊ |
C |
x,y-1,z |
1_545 |
51 |
14 |
8862 |
528.6 |
-5.4 |
0.291 |
6 |
0 |
0 |
0.000 |
| Average: |
539.2 |
-4.5 |
0.336 |
6 |
0 |
0 |
0.000 |
| 3 |
9 |
|
[U75]C:202 |
30 |
1 |
629 |
f |
C |
x,y,z |
1_555 |
55 |
22 |
8862 |
462.4 |
-4.1 |
0.461 |
10 |
0 |
0 |
0.038 |
10 |
|
[U75]A:202 |
30 |
1 |
630 |
f |
A |
x,y,z |
1_555 |
57 |
22 |
9001 |
451.7 |
-4.2 |
0.436 |
11 |
0 |
0 |
0.038 |
11 |
|
[U75]D:202 |
30 |
1 |
627 |
f |
D |
x,y,z |
1_555 |
58 |
23 |
8978 |
450.7 |
-2.4 |
0.607 |
10 |
0 |
0 |
0.038 |
12 |
|
[U75]B:202 |
30 |
1 |
626 |
f |
B |
x,y,z |
1_555 |
57 |
22 |
8851 |
447.6 |
-4.4 |
0.446 |
9 |
0 |
0 |
0.038 |
| Average: |
453.1 |
-3.8 |
0.488 |
10 |
0 |
0 |
0.038 |
| 4 |
13 |
|
D |
38 |
14 |
8978 |
◊ |
C |
x,y,z-1 |
1_554 |
25 |
10 |
8862 |
290.4 |
-0.2 |
0.581 |
3 |
0 |
0 |
0.000 |
14 |
|
C |
37 |
12 |
8862 |
◊ |
B |
x,y,z |
1_555 |
24 |
7 |
8851 |
282.2 |
-1.4 |
0.466 |
3 |
0 |
0 |
0.000 |
15 |
|
A |
42 |
13 |
9001 |
◊ |
D |
x-1,y,z |
1_455 |
23 |
8 |
8978 |
282.0 |
-0.8 |
0.506 |
3 |
0 |
0 |
0.000 |
16 |
|
A |
25 |
9 |
9001 |
◊ |
B |
x,y,z-1 |
1_554 |
39 |
13 |
8851 |
276.7 |
-1.8 |
0.427 |
1 |
0 |
0 |
0.000 |
| Average: |
282.8 |
-1.0 |
0.495 |
3 |
0 |
0 |
0.000 |
| 5 |
17 |
|
A |
27 |
8 |
9001 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
5 |
8862 |
179.3 |
1.0 |
0.735 |
1 |
0 |
0 |
0.000 |
18 |
|
C |
22 |
5 |
8862 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
9001 |
167.1 |
1.3 |
0.766 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
18 |
6 |
8851 |
◊ |
D |
x,y-1,z+1 |
1_546 |
21 |
8 |
8978 |
156.3 |
0.5 |
0.629 |
0 |
0 |
0 |
0.000 |
20 |
|
B |
18 |
5 |
8851 |
◊ |
D |
x-1,y-1,z+1 |
1_446 |
14 |
4 |
8978 |
149.1 |
0.6 |
0.714 |
0 |
0 |
0 |
0.000 |
| Average: |
163.0 |
0.8 |
0.711 |
0 |
0 |
0 |
0.000 |
| 6 |
21 |
|
[GOL]D:203 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
8978 |
110.9 |
0.3 |
0.641 |
0 |
0 |
0 |
0.000 |
| 7 |
22 |
|
[GOL]B:203 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
8851 |
98.5 |
0.2 |
0.583 |
0 |
0 |
0 |
0.000 |
| 8 |
23 |
|
[ACT]A:203 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9001 |
96.6 |
0.2 |
0.742 |
2 |
0 |
0 |
0.002 |
| 9 |
24 |
|
[GOL]C:204 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
8862 |
83.7 |
0.2 |
0.665 |
1 |
0 |
0 |
0.000 |
| 10 |
25 |
|
B |
11 |
5 |
8851 |
f |
[GOL]C:204 |
x,y-1,z |
1_545 |
6 |
1 |
217 |
76.3 |
0.9 |
0.766 |
3 |
0 |
0 |
0.002 |
| 11 |
26 |
|
[GOL]D:204 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
8978 |
71.5 |
1.8 |
0.736 |
2 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[U75]B:202 |
13 |
1 |
626 |
f |
[NDP]B:201 |
x,y,z |
1_555 |
9 |
1 |
928 |
71.4 |
-0.8 |
0.527 |
0 |
0 |
0 |
0.004 |
28 |
|
[U75]C:202 |
13 |
1 |
629 |
f |
[NDP]C:201 |
x,y,z |
1_555 |
9 |
1 |
925 |
71.1 |
-0.8 |
0.523 |
0 |
0 |
0 |
0.004 |
29 |
|
[U75]D:202 |
13 |
1 |
627 |
f |
[NDP]D:201 |
x,y,z |
1_555 |
9 |
1 |
927 |
70.7 |
-0.8 |
0.528 |
0 |
0 |
0 |
0.004 |
30 |
|
[U75]A:202 |
12 |
1 |
630 |
f |
[NDP]A:201 |
x,y,z |
1_555 |
9 |
1 |
925 |
67.1 |
-0.6 |
0.561 |
0 |
0 |
0 |
0.004 |
| Average: |
70.1 |
-0.8 |
0.535 |
0 |
0 |
0 |
0.004 |
| 13 |
31 |
|
[GOL]C:203 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
8862 |
64.8 |
0.4 |
0.642 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
[NA]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9001 |
57.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.023 |
| 15 |
33 |
|
[GOL]B:203 |
4 |
1 |
219 |
◊ |
D |
x,y-1,z+1 |
1_546 |
4 |
1 |
8978 |
51.3 |
1.6 |
0.785 |
1 |
0 |
0 |
0.000 |
| 16 |
34 |
|
[NA]A:204 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
2 |
8862 |
44.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[GOL]C:203 |
3 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8851 |
36.1 |
0.7 |
0.657 |
0 |
0 |
0 |
0.000 |
| 18 |
36 |
|
D |
3 |
3 |
8978 |
◊ |
[NDP]C:201 |
x,y,z-1 |
1_554 |
6 |
1 |
925 |
26.6 |
0.6 |
0.710 |
0 |
0 |
0 |
0.000 |
37 |
|
[NDP]B:201 |
6 |
1 |
928 |
◊ |
C |
x,y,z |
1_555 |
3 |
3 |
8862 |
21.9 |
0.4 |
0.680 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
3 |
3 |
9001 |
◊ |
[NDP]D:201 |
x-1,y,z |
1_455 |
4 |
1 |
927 |
10.5 |
0.2 |
0.608 |
0 |
0 |
0 |
0.000 |
39 |
|
[NDP]A:201 |
1 |
1 |
925 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
8851 |
1.6 |
0.0 |
0.508 |
0 |
0 |
0 |
0.000 |
| Average: |
15.1 |
0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
| 19 |
40 |
|
[GOL]D:204 |
3 |
1 |
219 |
f |
[NDP]D:201 |
x,y,z |
1_555 |
1 |
1 |
927 |
9.5 |
0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
| 20 |
41 |
|
B |
1 |
1 |
8851 |
◊ |
[NDP]C:201 |
x,y-1,z |
1_545 |
1 |
1 |
925 |
4.0 |
0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
42 |
|
[NDP]A:201 |
1 |
1 |
925 |
◊ |
D |
x-1,y-1,z |
1_445 |
1 |
1 |
8978 |
3.6 |
0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
43 |
|
[NDP]D:201 |
1 |
1 |
927 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8862 |
2.7 |
0.0 |
0.477 |
0 |
0 |
0 |
0.000 |
44 |
|
[NDP]B:201 |
1 |
1 |
928 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9001 |
2.0 |
0.0 |
0.492 |
0 |
0 |
0 |
0.000 |
| Average: |
3.1 |
0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
|