## |
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 |
71 |
19 |
4232 |
◊ |
B |
x,y,z |
1_555 |
69 |
19 |
4100 |
743.3 |
-17.5 |
0.456 |
1 |
2 |
0 |
0.361 |
2 |
2 |
|
B |
57 |
15 |
4100 |
◊ |
A |
x,y,z |
1_555 |
68 |
18 |
4345 |
677.6 |
-11.0 |
0.749 |
3 |
2 |
0 |
0.682 |
3 |
3 |
|
C |
64 |
16 |
3977 |
◊ |
A |
x,y,z |
1_555 |
67 |
17 |
4345 |
609.2 |
-13.8 |
0.689 |
2 |
1 |
0 |
1.000 |
4 |
4 |
|
D |
59 |
15 |
4232 |
◊ |
C |
x,y,z |
1_555 |
55 |
15 |
3977 |
599.2 |
-14.7 |
0.467 |
4 |
1 |
0 |
0.758 |
5 |
5 |
|
C |
44 |
10 |
3977 |
◊ |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
40 |
10 |
4345 |
433.0 |
-6.3 |
0.827 |
2 |
2 |
0 |
0.032 |
6 |
6 |
|
D |
43 |
15 |
4232 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
4345 |
428.2 |
-10.7 |
0.563 |
1 |
0 |
0 |
0.693 |
7 |
7 |
|
C |
46 |
12 |
3977 |
◊ |
B |
x,y,z |
1_555 |
35 |
13 |
4100 |
420.2 |
-9.5 |
0.516 |
1 |
0 |
0 |
0.554 |
8 |
8 |
|
B |
27 |
8 |
4100 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
8 |
4345 |
261.7 |
-2.9 |
0.816 |
2 |
2 |
0 |
0.081 |
9 |
9 |
|
B |
23 |
7 |
4100 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
5 |
4100 |
194.9 |
0.1 |
0.912 |
3 |
2 |
0 |
0.000 |
10 |
10 |
|
C |
14 |
4 |
3977 |
◊ |
D |
-x+1/2,-y+2,z-1/2 |
2_574 |
22 |
7 |
4232 |
152.4 |
-0.9 |
0.839 |
0 |
0 |
0 |
0.004 |
11 |
11 |
|
D |
14 |
6 |
4232 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
5 |
4345 |
138.3 |
-2.6 |
0.667 |
0 |
0 |
0 |
0.051 |
12 |
12 |
|
D |
10 |
4 |
4232 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
14 |
4 |
4345 |
122.1 |
-2.6 |
0.602 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[EDO]A:202 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
4345 |
78.7 |
2.1 |
0.331 |
3 |
0 |
0 |
0.000 |
14 |
14 |
|
[EDO]C:201 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3977 |
69.8 |
1.6 |
0.929 |
1 |
0 |
0 |
0.000 |
15 |
15 |
|
[EDO]C:202 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3977 |
61.3 |
1.5 |
0.949 |
3 |
0 |
0 |
0.000 |
16 |
16 |
|
B |
11 |
5 |
4100 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
3 |
4232 |
58.4 |
1.0 |
0.813 |
0 |
0 |
0 |
0.000 |
17 |
17 |
|
A |
5 |
2 |
4345 |
◊ |
[EDO]D:201 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
57.1 |
1.5 |
0.920 |
0 |
0 |
0 |
0.000 |
18 |
18 |
|
C |
5 |
2 |
3977 |
◊ |
[EDO]A:202 |
-x+1/2,-y+2,z-1/2 |
2_574 |
3 |
1 |
183 |
48.4 |
1.7 |
0.965 |
0 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]D:201 |
3 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
4232 |
48.0 |
1.2 |
0.935 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[NI]B:202 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
4232 |
46.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.339 |
21 |
21 |
|
[EDO]C:201 |
3 |
1 |
184 |
f |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
6 |
2 |
4345 |
42.9 |
0.8 |
0.888 |
1 |
0 |
0 |
0.000 |
22 |
22 |
|
B |
9 |
4 |
4100 |
cf |
[NI]A:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
115 |
41.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.271 |
23 |
23 |
|
[NI]B:202 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
4100 |
36.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.159 |
24 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
4345 |
34.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
35.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.159 |
24 |
25 |
|
B |
7 |
4 |
4100 |
f |
[EDO]D:201 |
x,y-1,z |
1_545 |
2 |
1 |
184 |
35.5 |
-0.2 |
0.731 |
0 |
0 |
0 |
0.013 |
25 |
26 |
|
C |
5 |
2 |
3977 |
◊ |
A |
x-1/2,-y+3/2,-z |
4_465 |
5 |
3 |
4345 |
32.9 |
-0.1 |
0.788 |
0 |
0 |
0 |
0.000 |
26 |
27 |
|
[CD]B:201 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
4100 |
32.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.163 |
27 |
28 |
|
[CD]B:201 |
1 |
1 |
112 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
4345 |
30.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.047 |
28 |
29 |
|
[EDO]C:202 |
3 |
1 |
184 |
◊ |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
2 |
1 |
4345 |
30.2 |
0.4 |
0.570 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[CD]B:201 |
1 |
1 |
112 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
4232 |
28.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
30 |
31 |
|
[EDO]C:201 |
2 |
1 |
184 |
◊ |
C |
-x+1/2,-y+2,z-1/2 |
2_574 |
5 |
2 |
3977 |
26.3 |
0.6 |
0.873 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
B |
4 |
2 |
4100 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
4232 |
25.4 |
-0.3 |
0.601 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[NI]A:201 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
4232 |
24.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
34 |
|
A |
5 |
1 |
4345 |
f |
[EDO]A:202 |
-x+1/2,-y+2,z-1/2 |
2_574 |
3 |
1 |
183 |
24.0 |
0.2 |
0.848 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
[CD]B:201 |
1 |
1 |
112 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
4100 |
15.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
36 |
|
C |
1 |
1 |
3977 |
x |
C |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
3977 |
12.4 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
36 |
37 |
|
[EDO]C:202 |
2 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
4232 |
11.9 |
-0.0 |
0.798 |
0 |
0 |
0 |
0.002 |
37 |
38 |
|
A |
1 |
1 |
4345 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
4232 |
7.2 |
0.2 |
0.878 |
0 |
0 |
0 |
0.000 |
38 |
39 |
|
B |
1 |
1 |
4100 |
◊ |
[NI]B:202 |
x,y-1,z |
1_545 |
1 |
1 |
115 |
5.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
40 |
|
C |
2 |
1 |
3977 |
x |
C |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
3977 |
1.9 |
0.0 |
0.789 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
1 |
1 |
4345 |
x |
A |
-x+1/2,-y+2,z-1/2 |
2_574 |
1 |
1 |
4345 |
0.3 |
0.0 |
0.800 |
0 |
0 |
0 |
0.000 |
Average: |
1.1 |
0.0 |
0.794 |
0 |
0 |
0 |
0.000 |
|