## |
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 |
|
B |
237 |
69 |
12715 |
◊ |
A |
x,y,z |
1_555 |
238 |
65 |
12505 |
2377.0 |
-30.6 |
0.117 |
32 |
13 |
0 |
0.826 |
2 |
|
C |
205 |
59 |
11878 |
◊ |
C |
y+1,x-1,-z |
7_645 |
204 |
59 |
11878 |
2032.0 |
-26.7 |
0.141 |
32 |
12 |
0 |
0.826 |
Average: |
2204.5 |
-28.6 |
0.129 |
32 |
13 |
0 |
0.826 |
2 |
3 |
|
A |
130 |
36 |
12505 |
◊ |
A |
y+1,x-1,-z |
7_645 |
130 |
36 |
12505 |
1209.0 |
-11.8 |
0.381 |
16 |
8 |
0 |
0.702 |
4 |
|
C |
130 |
37 |
11878 |
◊ |
B |
x,y,z |
1_555 |
130 |
37 |
12715 |
1205.9 |
-10.9 |
0.509 |
16 |
7 |
0 |
0.702 |
Average: |
1207.5 |
-11.3 |
0.445 |
16 |
8 |
0 |
0.702 |
3 |
5 |
|
C |
69 |
18 |
11878 |
◊ |
B |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
65 |
18 |
12715 |
599.6 |
-5.0 |
0.510 |
7 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
19 |
6 |
12505 |
x |
A |
-y+3/2,x-1/2,z+1/4 |
3_645 |
16 |
4 |
12505 |
143.5 |
-1.1 |
0.472 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
18 |
7 |
11878 |
◊ |
B |
y+1,x-1,-z |
7_645 |
14 |
4 |
12715 |
133.3 |
1.0 |
0.832 |
1 |
1 |
0 |
0.000 |
8 |
|
C |
15 |
4 |
11878 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
12505 |
129.0 |
1.2 |
0.838 |
1 |
1 |
0 |
0.000 |
9 |
|
B |
17 |
7 |
12715 |
◊ |
A |
y+1,x-1,-z |
7_645 |
15 |
4 |
12505 |
126.0 |
1.2 |
0.844 |
1 |
1 |
0 |
0.000 |
Average: |
129.4 |
1.1 |
0.838 |
1 |
1 |
0 |
0.000 |
6 |
10 |
|
C |
11 |
5 |
11878 |
◊ |
A |
y,x-1,-z |
7_545 |
18 |
6 |
12505 |
119.7 |
1.0 |
0.813 |
1 |
2 |
0 |
0.000 |
7 |
11 |
|
[EDO]B:402 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
12715 |
109.1 |
3.8 |
0.715 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
[EDO]C:415 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
11878 |
107.5 |
3.4 |
0.503 |
4 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
12715 |
97.9 |
2.5 |
0.467 |
3 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]C:416 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
11878 |
93.0 |
2.0 |
0.274 |
4 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]B:409 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
12715 |
91.8 |
2.6 |
0.322 |
4 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]B:408 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
12715 |
85.6 |
1.9 |
0.294 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]B:412 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12715 |
79.6 |
2.2 |
0.302 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]C:413 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
11878 |
79.2 |
1.5 |
0.790 |
2 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]B:410 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
12715 |
78.6 |
1.9 |
0.267 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:403 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
12505 |
76.5 |
2.0 |
0.266 |
1 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]B:411 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
12715 |
73.9 |
1.3 |
0.191 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]A:404 |
3 |
1 |
183 |
◊ |
B |
y+1,x-1,-z |
7_645 |
13 |
6 |
12715 |
72.6 |
1.3 |
0.440 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]A:401 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
12505 |
70.3 |
1.3 |
0.415 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]C:407 |
3 |
1 |
184 |
◊ |
C |
y+1,x-1,-z |
7_645 |
14 |
6 |
11878 |
70.0 |
1.2 |
0.442 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
C |
9 |
5 |
11878 |
◊ |
[EDO]B:411 |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
4 |
1 |
186 |
69.0 |
1.3 |
0.190 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]C:414 |
4 |
1 |
184 |
◊ |
C |
y+1,x-1,-z |
7_645 |
12 |
5 |
11878 |
68.1 |
2.7 |
0.504 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[NI]C:300 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
11878 |
60.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.856 |
28 |
|
[NI]A:300 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12505 |
60.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.856 |
29 |
|
[NI]B:300 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
12715 |
60.4 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.856 |
Average: |
60.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.856 |
24 |
30 |
|
[EDO]A:401 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
12715 |
59.3 |
1.6 |
0.266 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[EDO]C:407 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
11878 |
59.3 |
1.6 |
0.262 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
A |
y+1,x-1,-z |
7_645 |
10 |
5 |
12505 |
58.7 |
1.4 |
0.259 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
[EDO]B:406 |
4 |
1 |
183 |
◊ |
C |
y+1,x-1,-z |
7_645 |
10 |
3 |
11878 |
57.7 |
1.8 |
0.901 |
1 |
0 |
0 |
0.000 |
28 |
34 |
|
C |
8 |
2 |
11878 |
◊ |
A |
-x+3/2,y-1/2,-z+1/4 |
5_645 |
7 |
1 |
12505 |
57.5 |
-0.8 |
0.468 |
1 |
2 |
0 |
0.000 |
29 |
35 |
|
[EDO]B:406 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
12715 |
54.0 |
1.5 |
0.884 |
2 |
0 |
0 |
0.000 |
30 |
36 |
|
[EDO]B:406 |
4 |
1 |
183 |
◊ |
A |
y+1,x-1,-z |
7_645 |
10 |
3 |
12505 |
53.8 |
1.9 |
0.315 |
1 |
0 |
0 |
0.000 |
31 |
37 |
|
[EDO]C:414 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
11878 |
52.9 |
0.6 |
0.719 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[CL]A:400 |
1 |
1 |
125 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
12505 |
50.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.271 |
33 |
39 |
|
[EDO]B:410 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
11878 |
49.6 |
1.4 |
0.574 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
[EDO]A:403 |
2 |
1 |
184 |
f |
A |
y+1,x-1,-z |
7_645 |
7 |
2 |
12505 |
48.3 |
1.3 |
0.565 |
1 |
0 |
0 |
0.000 |
35 |
41 |
|
[EDO]B:412 |
3 |
1 |
185 |
◊ |
A |
y+1,x-1,-z |
7_645 |
8 |
3 |
12505 |
45.2 |
1.2 |
0.855 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
A |
5 |
3 |
12505 |
◊ |
B |
-y+3/2,x-1/2,z+1/4 |
3_645 |
7 |
3 |
12715 |
34.6 |
0.1 |
0.503 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[EDO]C:407 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
12715 |
32.3 |
0.3 |
0.752 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[EDO]A:401 |
3 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
11878 |
31.5 |
0.3 |
0.736 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[EDO]A:404 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
12505 |
30.2 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
C |
3 |
2 |
11878 |
◊ |
B |
y,x-1,-z |
7_545 |
3 |
1 |
12715 |
24.6 |
0.9 |
0.877 |
1 |
1 |
0 |
0.000 |
41 |
47 |
|
[EDO]B:402 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
12505 |
12.1 |
0.2 |
0.876 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[EDO]B:408 |
1 |
1 |
184 |
f |
[EDO]B:405 |
x,y,z |
1_555 |
2 |
1 |
184 |
6.8 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[EDO]B:411 |
1 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
12505 |
6.7 |
-0.0 |
0.543 |
0 |
0 |
0 |
0.002 |
44 |
50 |
|
[EDO]C:416 |
1 |
1 |
182 |
f |
[EDO]C:413 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.0 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[EDO]B:412 |
1 |
1 |
185 |
f |
[EDO]B:406 |
x,y,z |
1_555 |
1 |
1 |
183 |
0.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|