## |
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 |
|
A |
97 |
22 |
15216 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
97 |
22 |
15216 |
737.3 |
-4.4 |
0.582 |
6 |
4 |
0 |
0.021 |
2 |
2 |
|
A |
53 |
15 |
15216 |
◊ |
A |
y,x,-z |
15_444 |
53 |
15 |
15216 |
461.3 |
-3.8 |
0.409 |
2 |
0 |
0 |
0.012 |
3 |
3 |
|
A |
46 |
13 |
15216 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
47 |
13 |
15216 |
407.2 |
-3.4 |
0.443 |
3 |
4 |
0 |
0.012 |
4 |
4 |
|
[Y94]A:501 |
29 |
1 |
658 |
f |
A |
x,y,z |
1_555 |
51 |
16 |
15216 |
394.3 |
-0.4 |
0.643 |
5 |
0 |
0 |
0.014 |
5 |
5 |
|
A |
20 |
7 |
15216 |
◊ |
A |
-y+1,-x+1,-z |
8_665 |
19 |
7 |
15216 |
211.9 |
-1.8 |
0.411 |
6 |
0 |
0 |
0.010 |
6 |
6 |
|
[ACT]A:510 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
15216 |
110.5 |
-0.1 |
0.681 |
3 |
0 |
0 |
0.008 |
7 |
7 |
|
[MES]A:509 |
8 |
1 |
330 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15216 |
92.4 |
1.6 |
0.071 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[ACT]A:511 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15216 |
89.5 |
0.5 |
0.816 |
1 |
0 |
0 |
0.000 |
9 |
9 |
|
[ACT]A:511 |
4 |
1 |
184 |
f |
[Y94]A:501 |
x,y,z |
1_555 |
12 |
1 |
658 |
67.2 |
0.7 |
0.737 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[MES]A:509 |
7 |
1 |
330 |
◊ |
A |
y,x,-z |
15_444 |
9 |
2 |
15216 |
66.1 |
0.8 |
0.064 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[CL]A:508 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15216 |
56.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.041 |
12 |
12 |
|
[ZN]A:503 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
4 |
4 |
15216 |
49.5 |
-36.5 |
0.000 |
0 |
0 |
0 |
0.196 |
13 |
13 |
|
[UNX]A:515 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15216 |
45.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.018 |
14 |
14 |
|
[MES]A:509 |
3 |
1 |
330 |
◊ |
[Y94]A:501 |
y,x,-z |
15_444 |
5 |
1 |
658 |
45.6 |
1.1 |
0.383 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
[UNX]A:523 |
1 |
1 |
129 |
f |
A |
x,-y+1/2,-z+1/4 |
6_555 |
6 |
4 |
15216 |
39.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.014 |
16 |
16 |
|
[UNX]A:513 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15216 |
39.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.031 |
17 |
|
[UNX]A:512 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
15216 |
30.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.031 |
18 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
15216 |
30.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.031 |
Average: |
33.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.031 |
17 |
19 |
|
[CL]A:507 |
1 |
1 |
125 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
8 |
4 |
15216 |
35.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
18 |
20 |
|
[UNX]A:521 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15216 |
35.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.030 |
21 |
|
[UNX]A:518 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
15216 |
29.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.030 |
22 |
|
[UNX]A:519 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
15216 |
23.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.030 |
23 |
|
[UNX]A:522 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15216 |
20.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
27.2 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.030 |
19 |
24 |
|
[ZN]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
15216 |
33.9 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.101 |
20 |
25 |
|
[CL]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15216 |
33.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.024 |
21 |
26 |
|
[UNX]A:520 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
15216 |
29.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
22 |
27 |
|
[UNX]A:516 |
1 |
1 |
129 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
6 |
2 |
15216 |
29.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.007 |
28 |
|
[UNX]A:517 |
1 |
1 |
129 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
5 |
1 |
15216 |
15.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
22.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.007 |
23 |
29 |
|
[UNX]A:521 |
1 |
1 |
129 |
f |
[UNX]A:518 |
x,y,z |
1_555 |
1 |
1 |
129 |
28.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.015 |
24 |
30 |
|
[CL]A:507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
15216 |
28.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.017 |
25 |
31 |
|
[CL]A:508 |
1 |
1 |
125 |
◊ |
A |
y,x,-z |
15_444 |
4 |
2 |
15216 |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.018 |
26 |
32 |
|
[ZN]A:504 |
1 |
1 |
98 |
◊ |
A |
y,x,-z |
15_444 |
2 |
1 |
15216 |
25.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.062 |
27 |
33 |
|
[UNX]A:515 |
1 |
1 |
129 |
f |
[UNX]A:513 |
x,y,z |
1_555 |
1 |
1 |
129 |
24.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.013 |
28 |
34 |
|
[ZN]A:505 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15216 |
24.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.052 |
29 |
35 |
|
[UNX]A:514 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15216 |
24.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.010 |
36 |
|
[UNX]A:516 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
15216 |
20.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
22.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.010 |
30 |
37 |
|
[CL]A:508 |
1 |
1 |
125 |
f |
[ZN]A:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.064 |
31 |
38 |
|
[ZN]A:505 |
1 |
1 |
98 |
cf |
A |
-x+1,-y+1,z |
10_554 |
7 |
3 |
15216 |
23.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.049 |
32 |
39 |
|
[UNX]A:522 |
1 |
1 |
129 |
f |
[UNX]A:519 |
x,y,z |
1_555 |
1 |
1 |
129 |
22.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
33 |
40 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
[UNX]A:516 |
x,y,z |
1_555 |
1 |
1 |
129 |
21.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
34 |
41 |
|
[ACT]A:511 |
1 |
1 |
184 |
◊ |
[MES]A:509 |
y,x,-z |
15_444 |
1 |
1 |
330 |
21.7 |
0.5 |
0.540 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[UNX]A:522 |
1 |
1 |
129 |
f |
[UNX]A:520 |
x,y,z |
1_555 |
1 |
1 |
129 |
21.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
36 |
43 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
[UNX]A:514 |
x,y,z |
1_555 |
1 |
1 |
129 |
21.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
44 |
|
[UNX]A:523 |
1 |
1 |
129 |
◊ |
[UNX]A:520 |
x,y,z |
1_555 |
1 |
1 |
129 |
21.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
38 |
45 |
|
[UNX]A:519 |
1 |
1 |
129 |
f |
[UNX]A:518 |
x,y,z |
1_555 |
1 |
1 |
129 |
21.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.011 |
39 |
46 |
|
[UNX]A:520 |
1 |
1 |
129 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
5 |
3 |
15216 |
20.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
47 |
|
[UNX]A:519 |
1 |
1 |
129 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
5 |
2 |
15216 |
15.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
48 |
|
[UNX]A:522 |
1 |
1 |
129 |
◊ |
A |
x,-y+1/2,-z+1/4 |
6_555 |
5 |
3 |
15216 |
14.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
17.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.014 |
40 |
49 |
|
[UNX]A:522 |
1 |
1 |
129 |
f |
[UNX]A:521 |
x,y,z |
1_555 |
1 |
1 |
129 |
20.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
41 |
50 |
|
[UNX]A:523 |
1 |
1 |
129 |
◊ |
[UNX]A:522 |
x,y,z |
1_555 |
1 |
1 |
129 |
20.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
42 |
51 |
|
[CL]A:506 |
1 |
1 |
125 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
4 |
2 |
15216 |
19.8 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.006 |
43 |
52 |
|
[UNX]A:520 |
1 |
1 |
129 |
f |
[UNX]A:519 |
x,y,z |
1_555 |
1 |
1 |
129 |
19.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.011 |
44 |
53 |
|
[UNX]A:516 |
1 |
1 |
129 |
f |
[UNX]A:514 |
x,y,z |
1_555 |
1 |
1 |
129 |
19.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
45 |
54 |
|
[UNX]A:513 |
1 |
1 |
129 |
f |
[UNX]A:512 |
x,y,z |
1_555 |
1 |
1 |
129 |
18.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
46 |
55 |
|
[UNX]A:522 |
1 |
1 |
129 |
f |
[UNX]A:518 |
x,y,z |
1_555 |
1 |
1 |
129 |
18.1 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.010 |
47 |
56 |
|
[UNX]A:523 |
1 |
1 |
129 |
◊ |
[UNX]A:519 |
x,y,z |
1_555 |
1 |
1 |
129 |
17.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.009 |
48 |
57 |
|
[UNX]A:514 |
1 |
1 |
129 |
f |
[UNX]A:513 |
x,y,z |
1_555 |
1 |
1 |
129 |
16.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
49 |
58 |
|
[UNX]A:514 |
1 |
1 |
129 |
f |
[UNX]A:512 |
x,y,z |
1_555 |
1 |
1 |
129 |
16.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
50 |
59 |
|
[CL]A:507 |
1 |
1 |
125 |
◊ |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.038 |
51 |
60 |
|
[UNX]A:521 |
1 |
1 |
129 |
f |
[UNX]A:519 |
x,y,z |
1_555 |
1 |
1 |
129 |
15.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.008 |
52 |
61 |
|
[CL]A:506 |
1 |
1 |
125 |
◊ |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.036 |
53 |
62 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
-y+1,-x+1,-z |
8_665 |
3 |
1 |
15216 |
13.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.034 |
54 |
63 |
|
[UNX]A:512 |
1 |
1 |
129 |
f |
[CL]A:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.010 |
55 |
64 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
[UNX]A:512 |
x,y,z |
1_555 |
1 |
1 |
129 |
12.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
56 |
65 |
|
[UNX]A:521 |
1 |
1 |
129 |
f |
[UNX]A:520 |
x,y,z |
1_555 |
1 |
1 |
129 |
12.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
57 |
66 |
|
[UNX]A:515 |
1 |
1 |
129 |
f |
[UNX]A:514 |
x,y,z |
1_555 |
1 |
1 |
129 |
12.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
58 |
67 |
|
[CL]A:507 |
1 |
1 |
125 |
f |
[CL]A:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.013 |
59 |
68 |
|
[UNX]A:516 |
1 |
1 |
129 |
f |
[UNX]A:512 |
x,y,z |
1_555 |
1 |
1 |
129 |
11.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
60 |
69 |
|
[UNX]A:523 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15216 |
11.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
61 |
70 |
|
[UNX]A:512 |
1 |
1 |
129 |
f |
[CL]A:507 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
62 |
71 |
|
[UNX]A:516 |
1 |
1 |
129 |
f |
[CL]A:507 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.1 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
63 |
72 |
|
[UNX]A:516 |
1 |
1 |
129 |
f |
[CL]A:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
64 |
73 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
[CL]A:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.008 |
65 |
74 |
|
[UNX]A:514 |
1 |
1 |
129 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
4 |
1 |
15216 |
9.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
75 |
|
[UNX]A:512 |
1 |
1 |
129 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
3 |
2 |
15216 |
4.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
7.2 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
66 |
76 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
[UNX]A:513 |
x,y,z |
1_555 |
1 |
1 |
129 |
9.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
67 |
77 |
|
[UNX]A:520 |
1 |
1 |
129 |
f |
[UNX]A:518 |
x,y,z |
1_555 |
1 |
1 |
129 |
9.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
68 |
78 |
|
[UNX]A:515 |
1 |
1 |
129 |
f |
[UNX]A:512 |
x,y,z |
1_555 |
1 |
1 |
129 |
8.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
69 |
79 |
|
[UNX]A:514 |
1 |
1 |
129 |
f |
[CL]A:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
7.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
70 |
80 |
|
[UNX]A:512 |
1 |
1 |
129 |
◊ |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.014 |
71 |
81 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
[UNX]A:515 |
x,y,z |
1_555 |
1 |
1 |
129 |
5.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
72 |
82 |
|
[UNX]A:514 |
1 |
1 |
129 |
f |
[CL]A:507 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
73 |
83 |
|
[UNX]A:516 |
1 |
1 |
129 |
◊ |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.010 |
74 |
84 |
|
[UNX]A:516 |
1 |
1 |
129 |
f |
[UNX]A:513 |
x,y,z |
1_555 |
1 |
1 |
129 |
5.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
75 |
85 |
|
[UNX]A:523 |
1 |
1 |
129 |
◊ |
[UNX]A:521 |
x,y,z |
1_555 |
1 |
1 |
129 |
4.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
76 |
86 |
|
[UNX]A:523 |
1 |
1 |
129 |
◊ |
[UNX]A:518 |
x,y,z |
1_555 |
1 |
1 |
129 |
3.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
77 |
87 |
|
[UNX]A:517 |
1 |
1 |
129 |
f |
[CL]A:507 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
78 |
88 |
|
[UNX]A:513 |
1 |
1 |
129 |
f |
[CL]A:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
2.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
79 |
89 |
|
[UNX]A:517 |
1 |
1 |
129 |
◊ |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
80 |
90 |
|
[UNX]A:514 |
1 |
1 |
129 |
◊ |
[ZN]A:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|