## |
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 |
181 |
45 |
19257 |
◊ |
C |
x,y,z |
1_555 |
196 |
54 |
19396 |
1755.9 |
-19.5 |
0.087 |
20 |
6 |
0 |
0.629 |
2 |
|
B |
185 |
46 |
18755 |
◊ |
A |
x,y,z |
1_555 |
190 |
53 |
19644 |
1745.9 |
-19.3 |
0.110 |
20 |
6 |
0 |
0.629 |
Average: |
1750.9 |
-19.4 |
0.099 |
20 |
6 |
0 |
0.629 |
2 |
3 |
|
D |
58 |
15 |
19257 |
◊ |
A |
x,y,z |
1_555 |
63 |
18 |
19644 |
578.6 |
-4.3 |
0.377 |
7 |
2 |
0 |
0.014 |
4 |
|
B |
53 |
15 |
18755 |
◊ |
C |
x,y,z |
1_555 |
58 |
14 |
19396 |
543.9 |
-6.3 |
0.176 |
4 |
2 |
0 |
0.014 |
Average: |
561.2 |
-5.3 |
0.277 |
6 |
2 |
0 |
0.014 |
3 |
5 |
|
D |
41 |
13 |
19257 |
◊ |
B |
-x,-y,z |
2_555 |
50 |
16 |
18755 |
384.2 |
2.4 |
0.825 |
7 |
6 |
0 |
0.000 |
4 |
6 |
|
D |
36 |
13 |
19257 |
◊ |
C |
x,y,z-1 |
1_554 |
40 |
12 |
19396 |
357.9 |
1.0 |
0.761 |
3 |
6 |
0 |
0.000 |
7 |
|
A |
41 |
13 |
19644 |
◊ |
B |
x,y,z-1 |
1_554 |
36 |
11 |
18755 |
338.3 |
1.3 |
0.808 |
3 |
6 |
0 |
0.000 |
Average: |
348.1 |
1.2 |
0.784 |
3 |
6 |
0 |
0.000 |
5 |
8 |
|
[AMP]A:502 |
23 |
1 |
499 |
f |
A |
x,y,z |
1_555 |
62 |
25 |
19644 |
349.9 |
-0.2 |
0.737 |
7 |
0 |
0 |
0.073 |
6 |
9 |
|
[AMP]B:502 |
23 |
1 |
499 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
18755 |
348.8 |
0.1 |
0.761 |
7 |
0 |
0 |
0.065 |
10 |
|
[AMP]D:502 |
23 |
1 |
503 |
f |
D |
x,y,z |
1_555 |
55 |
21 |
19257 |
345.6 |
1.2 |
0.799 |
6 |
0 |
0 |
0.065 |
Average: |
347.2 |
0.6 |
0.780 |
7 |
0 |
0 |
0.065 |
7 |
11 |
|
B |
34 |
11 |
18755 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
38 |
14 |
19644 |
298.5 |
-0.1 |
0.588 |
3 |
1 |
0 |
0.000 |
8 |
12 |
|
C |
29 |
12 |
19396 |
◊ |
C |
-x+1,-y,z |
2_655 |
28 |
12 |
19396 |
212.2 |
-1.6 |
0.484 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
D |
22 |
7 |
19257 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
26 |
5 |
19644 |
200.0 |
-0.6 |
0.608 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
D |
16 |
5 |
19257 |
◊ |
A |
-x,-y,z |
2_555 |
20 |
9 |
19644 |
147.4 |
1.3 |
0.812 |
1 |
2 |
0 |
0.000 |
11 |
15 |
|
A |
15 |
6 |
19644 |
x |
A |
x-1/2,-y+1/2,-z+1 |
3_456 |
17 |
6 |
19644 |
145.8 |
-0.8 |
0.318 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
C |
16 |
5 |
19396 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
21 |
8 |
19644 |
132.3 |
1.5 |
0.740 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]D:503 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
26 |
9 |
19257 |
120.1 |
4.1 |
0.699 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]C:508 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
19396 |
115.8 |
2.7 |
0.429 |
3 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]A:512 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
19644 |
115.8 |
3.8 |
0.674 |
3 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:511 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
19644 |
113.9 |
2.8 |
0.421 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
19644 |
112.9 |
4.2 |
0.700 |
3 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]A:510 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
19644 |
112.8 |
4.1 |
0.791 |
7 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]A:507 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
19644 |
107.1 |
3.4 |
0.496 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
B |
13 |
3 |
18755 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
3_457 |
11 |
3 |
19396 |
106.8 |
-0.8 |
0.467 |
1 |
2 |
0 |
0.000 |
21 |
25 |
|
[EDO]A:504 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
19644 |
103.5 |
3.4 |
0.433 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
D |
13 |
6 |
19257 |
◊ |
D |
-x,-y,z |
2_555 |
13 |
6 |
19257 |
97.9 |
0.3 |
0.701 |
2 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]A:508 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
19644 |
80.1 |
2.2 |
0.278 |
2 |
0 |
0 |
0.000 |
24 |
28 |
|
[EDO]D:504 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
19257 |
74.5 |
1.9 |
0.271 |
2 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]C:506 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
19396 |
72.2 |
1.9 |
0.279 |
2 |
0 |
0 |
0.000 |
26 |
30 |
|
[EDO]B:504 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
18755 |
71.5 |
1.9 |
0.285 |
1 |
0 |
0 |
0.000 |
27 |
31 |
|
D |
10 |
3 |
19257 |
◊ |
[EDO]A:505 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
184 |
70.7 |
1.9 |
0.269 |
2 |
0 |
0 |
0.000 |
28 |
32 |
|
[EDO]C:507 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
19396 |
69.5 |
1.9 |
0.274 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[EDO]A:509 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
19644 |
66.5 |
2.1 |
0.888 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[NA]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
19396 |
52.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.151 |
35 |
|
[NA]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19644 |
50.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
51.5 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.151 |
31 |
36 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
5 |
19644 |
51.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.138 |
32 |
37 |
|
[CL]C:505 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
19396 |
51.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.116 |
33 |
38 |
|
[NA]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
18755 |
50.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.146 |
39 |
|
[NA]C:502 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
19257 |
48.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.146 |
Average: |
49.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.146 |
34 |
40 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
19644 |
49.0 |
1.1 |
0.739 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[NA]B:503 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
19644 |
47.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.123 |
42 |
|
[NA]C:502 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
5 |
19396 |
44.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
45.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.123 |
36 |
43 |
|
[EDO]A:510 |
3 |
1 |
186 |
f |
[AMP]A:502 |
x,y,z |
1_555 |
6 |
1 |
499 |
47.0 |
0.7 |
0.255 |
1 |
0 |
0 |
0.000 |
37 |
44 |
|
[NA]C:503 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
19257 |
46.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.114 |
45 |
|
[NA]A:503 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
18755 |
45.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
45.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.114 |
38 |
46 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19396 |
44.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[EDO]C:507 |
3 |
1 |
185 |
f |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
19644 |
39.2 |
1.2 |
0.883 |
1 |
0 |
0 |
0.000 |
40 |
48 |
|
[EDO]D:504 |
2 |
1 |
185 |
f |
[EDO]A:505 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
184 |
29.1 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
41 |
49 |
|
[EDO]A:508 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
19257 |
27.2 |
0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
B |
3 |
2 |
18755 |
◊ |
C |
-x,-y,z |
2_555 |
1 |
1 |
19396 |
14.2 |
0.6 |
0.840 |
0 |
0 |
0 |
0.000 |
43 |
51 |
|
A |
2 |
1 |
19644 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
3_456 |
2 |
1 |
19257 |
13.6 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
C |
1 |
1 |
19396 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
19644 |
5.5 |
0.3 |
0.836 |
0 |
0 |
0 |
0.000 |
45 |
53 |
|
A |
1 |
1 |
19644 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
3_456 |
2 |
1 |
19396 |
5.3 |
0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
46 |
54 |
|
B |
1 |
1 |
18755 |
x |
B |
x-1/2,-y+1/2,-z+2 |
3_457 |
1 |
1 |
18755 |
2.3 |
0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
47 |
55 |
|
[CL]C:505 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18755 |
1.8 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
56 |
|
C |
1 |
1 |
19396 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
18755 |
1.3 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
49 |
57 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19257 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
58 |
|
[EDO]A:512 |
1 |
1 |
184 |
f |
[EDO]A:509 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.6 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|