## |
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 |
|
C |
226 |
61 |
17841 |
◊ |
B |
x,y,z |
1_555 |
218 |
57 |
17523 |
2208.7 |
-12.7 |
0.579 |
34 |
14 |
0 |
0.738 |
2 |
|
D |
222 |
61 |
17868 |
◊ |
A |
x,y,z |
1_555 |
215 |
57 |
17548 |
2188.8 |
-12.9 |
0.535 |
31 |
13 |
0 |
0.738 |
Average: |
2198.8 |
-12.8 |
0.557 |
33 |
14 |
0 |
0.738 |
2 |
3 |
|
C |
82 |
28 |
17841 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
62 |
14 |
17548 |
638.6 |
-7.2 |
0.273 |
4 |
3 |
0 |
0.000 |
3 |
4 |
|
B |
60 |
12 |
17523 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
80 |
25 |
17868 |
624.0 |
-7.9 |
0.182 |
2 |
2 |
0 |
0.000 |
4 |
5 |
|
C |
51 |
11 |
17841 |
◊ |
A |
x,y-1,z |
1_545 |
79 |
30 |
17548 |
571.0 |
-6.3 |
0.185 |
7 |
4 |
0 |
0.202 |
6 |
|
B |
74 |
29 |
17523 |
◊ |
D |
x,y-1,z |
1_545 |
50 |
11 |
17868 |
518.0 |
-5.9 |
0.229 |
7 |
4 |
0 |
0.202 |
Average: |
544.5 |
-6.1 |
0.207 |
7 |
4 |
0 |
0.202 |
5 |
7 |
|
C |
35 |
11 |
17841 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
17548 |
258.1 |
-0.4 |
0.651 |
2 |
1 |
0 |
0.000 |
8 |
|
D |
11 |
6 |
17868 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
17523 |
109.3 |
0.5 |
0.743 |
1 |
0 |
0 |
0.000 |
Average: |
183.7 |
0.0 |
0.697 |
2 |
1 |
0 |
0.000 |
6 |
9 |
|
[PLP]A:1 |
16 |
1 |
390 |
f |
A |
x,y,z |
1_555 |
40 |
14 |
17548 |
215.8 |
-0.8 |
0.640 |
11 |
0 |
0 |
0.142 |
10 |
|
[PLP]B:2 |
16 |
1 |
390 |
f |
B |
x,y,z |
1_555 |
35 |
13 |
17523 |
214.0 |
-1.1 |
0.621 |
10 |
0 |
0 |
0.142 |
Average: |
214.9 |
-1.0 |
0.630 |
11 |
0 |
0 |
0.142 |
7 |
11 |
|
[PLP]D:4 |
16 |
1 |
393 |
f |
D |
x,y,z |
1_555 |
38 |
14 |
17868 |
214.8 |
-1.0 |
0.609 |
10 |
0 |
0 |
0.344 |
12 |
|
[PLP]C:3 |
16 |
1 |
386 |
f |
C |
x,y,z |
1_555 |
38 |
13 |
17841 |
211.2 |
-0.4 |
0.643 |
9 |
0 |
0 |
0.344 |
Average: |
213.0 |
-0.7 |
0.626 |
10 |
0 |
0 |
0.344 |
8 |
13 |
|
C |
19 |
4 |
17841 |
◊ |
D |
x,y-1,z |
1_545 |
18 |
4 |
17868 |
175.4 |
0.1 |
0.714 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
B |
22 |
7 |
17523 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
7 |
17548 |
157.4 |
0.6 |
0.771 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
16 |
3 |
17868 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
16 |
3 |
17841 |
140.1 |
-1.5 |
0.443 |
0 |
2 |
0 |
0.000 |
11 |
16 |
|
[TAR]D:435 |
10 |
1 |
266 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
17868 |
134.4 |
-0.2 |
0.500 |
9 |
0 |
0 |
0.195 |
17 |
|
[TAR]B:435 |
10 |
1 |
266 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
17523 |
132.9 |
-0.2 |
0.501 |
9 |
0 |
0 |
0.195 |
18 |
|
[TAR]A:435 |
10 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
23 |
12 |
17548 |
132.1 |
-0.1 |
0.517 |
8 |
0 |
0 |
0.195 |
Average: |
133.1 |
-0.2 |
0.506 |
9 |
0 |
0 |
0.195 |
12 |
19 |
|
[TAR]C:435 |
10 |
1 |
264 |
f |
C |
x,y,z |
1_555 |
24 |
13 |
17841 |
133.8 |
0.6 |
0.611 |
9 |
0 |
0 |
0.262 |
13 |
20 |
|
[EDO]A:436 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
17548 |
111.7 |
3.3 |
0.524 |
6 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]D:9 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
17868 |
110.0 |
3.5 |
0.481 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]C:436 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
17841 |
109.9 |
3.6 |
0.502 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]B:436 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
17523 |
107.3 |
3.3 |
0.520 |
5 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]D:8 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
17868 |
95.5 |
2.7 |
0.415 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[EDO]A:11 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
17548 |
95.4 |
2.5 |
0.417 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]C:12 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
17841 |
93.6 |
2.5 |
0.418 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]B:1 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
17523 |
92.9 |
2.9 |
0.435 |
1 |
0 |
0 |
0.000 |
21 |
28 |
|
B |
11 |
4 |
17523 |
◊ |
C |
x-1,y,z |
1_455 |
10 |
4 |
17841 |
89.7 |
0.4 |
0.754 |
1 |
1 |
0 |
0.000 |
29 |
|
D |
8 |
4 |
17868 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
17548 |
57.3 |
0.4 |
0.583 |
0 |
0 |
0 |
0.000 |
Average: |
73.5 |
0.4 |
0.669 |
1 |
1 |
0 |
0.000 |
22 |
30 |
|
[EDO]C:5 |
4 |
1 |
184 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
9 |
5 |
17548 |
79.0 |
2.2 |
0.261 |
1 |
0 |
0 |
0.000 |
23 |
31 |
|
[EDO]C:5 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
17841 |
77.4 |
1.3 |
0.253 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
[EDO]A:3 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
17548 |
70.7 |
1.4 |
0.735 |
3 |
0 |
0 |
0.002 |
33 |
|
[EDO]B:10 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
17523 |
66.1 |
1.3 |
0.764 |
3 |
0 |
0 |
0.002 |
Average: |
68.4 |
1.3 |
0.749 |
3 |
0 |
0 |
0.002 |
25 |
34 |
|
[EDO]C:7 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
17841 |
63.9 |
1.7 |
0.784 |
1 |
0 |
0 |
0.000 |
26 |
35 |
|
[EDO]D:6 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
17868 |
62.8 |
1.8 |
0.825 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[TAR]D:435 |
5 |
1 |
266 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
17548 |
61.5 |
1.5 |
0.776 |
3 |
0 |
0 |
0.000 |
37 |
|
[TAR]B:435 |
5 |
1 |
266 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
17841 |
60.9 |
1.4 |
0.771 |
3 |
0 |
0 |
0.000 |
38 |
|
[TAR]A:435 |
5 |
1 |
264 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
17868 |
60.3 |
1.4 |
0.769 |
3 |
0 |
0 |
0.000 |
Average: |
60.9 |
1.4 |
0.772 |
3 |
0 |
0 |
0.000 |
28 |
39 |
|
[TAR]C:435 |
5 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
17523 |
61.4 |
-0.5 |
0.393 |
3 |
0 |
0 |
0.044 |
29 |
40 |
|
[PLP]C:3 |
6 |
1 |
386 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
17523 |
51.8 |
-2.1 |
0.371 |
2 |
0 |
0 |
0.131 |
41 |
|
[PLP]D:4 |
7 |
1 |
393 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
17548 |
51.4 |
-1.8 |
0.436 |
1 |
0 |
0 |
0.131 |
42 |
|
[PLP]B:2 |
6 |
1 |
390 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
17841 |
50.2 |
-1.8 |
0.431 |
1 |
0 |
0 |
0.131 |
Average: |
51.1 |
-1.9 |
0.413 |
1 |
0 |
0 |
0.131 |
30 |
43 |
|
[PLP]A:1 |
7 |
1 |
390 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
17868 |
51.5 |
-1.8 |
0.441 |
1 |
0 |
0 |
0.056 |
31 |
44 |
|
[EDO]C:7 |
4 |
1 |
185 |
f |
[EDO]A:3 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
50.2 |
2.4 |
1.000 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
[EDO]B:10 |
4 |
1 |
182 |
◊ |
[EDO]D:6 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
50.1 |
2.2 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
D |
6 |
2 |
17868 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17841 |
45.1 |
1.0 |
0.881 |
2 |
0 |
0 |
0.000 |
34 |
47 |
|
[TAR]B:435 |
7 |
1 |
266 |
f |
[PLP]B:2 |
x,y,z |
1_555 |
7 |
1 |
390 |
43.3 |
1.2 |
0.618 |
0 |
0 |
0 |
0.000 |
48 |
|
[TAR]D:435 |
6 |
1 |
266 |
f |
[PLP]D:4 |
x,y,z |
1_555 |
8 |
1 |
393 |
43.2 |
1.1 |
0.600 |
0 |
0 |
0 |
0.000 |
Average: |
43.3 |
1.1 |
0.609 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
[TAR]A:435 |
7 |
1 |
264 |
f |
[PLP]A:1 |
x,y,z |
1_555 |
9 |
1 |
390 |
43.1 |
1.2 |
0.638 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[TAR]C:435 |
7 |
1 |
264 |
f |
[PLP]C:3 |
x,y,z |
1_555 |
7 |
1 |
386 |
42.4 |
0.1 |
0.447 |
1 |
0 |
0 |
0.024 |
37 |
51 |
|
D |
4 |
3 |
17868 |
◊ |
C |
x-1,y+1,z |
1_465 |
6 |
3 |
17841 |
31.2 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[EDO]A:11 |
2 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
17841 |
26.0 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
B |
3 |
1 |
17523 |
◊ |
[EDO]D:6 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
23.4 |
0.7 |
0.687 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
[EDO]C:7 |
2 |
1 |
185 |
f |
A |
x,y-1,z |
1_545 |
4 |
1 |
17548 |
21.3 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[EDO]C:7 |
1 |
1 |
185 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
17868 |
6.6 |
0.5 |
0.955 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[EDO]B:10 |
2 |
1 |
182 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
2 |
17868 |
6.0 |
0.1 |
0.804 |
0 |
0 |
0 |
0.000 |
57 |
|
C |
3 |
1 |
17841 |
◊ |
[EDO]A:3 |
x,y-1,z |
1_545 |
1 |
1 |
184 |
4.9 |
0.0 |
0.786 |
0 |
0 |
0 |
0.000 |
Average: |
5.5 |
0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
43 |
58 |
|
C |
1 |
1 |
17841 |
f |
[EDO]D:6 |
x,y-1,z |
1_545 |
1 |
1 |
184 |
2.2 |
0.1 |
0.913 |
0 |
0 |
0 |
0.000 |
|