## |
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 |
87 |
22 |
3212 |
◊ |
A |
x,y,z |
1_555 |
83 |
20 |
1998 |
839.4 |
-15.6 |
0.532 |
9 |
2 |
2 |
1.000 |
2 |
|
D |
92 |
21 |
3214 |
◊ |
C |
x,y,z |
1_555 |
83 |
19 |
2039 |
838.3 |
-16.1 |
0.527 |
13 |
2 |
2 |
1.000 |
Average: |
838.9 |
-15.9 |
0.530 |
11 |
2 |
2 |
1.000 |
2 |
3 |
|
D |
64 |
17 |
3214 |
◊ |
B |
x,y,z |
1_555 |
63 |
16 |
3212 |
592.3 |
-7.5 |
0.735 |
4 |
1 |
0 |
0.071 |
3 |
4 |
|
B |
61 |
15 |
3212 |
◊ |
D |
-y,x-y,z |
2_555 |
59 |
16 |
3214 |
520.4 |
-8.6 |
0.590 |
3 |
0 |
0 |
0.132 |
4 |
5 |
|
B |
13 |
3 |
3212 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
24 |
6 |
2039 |
153.6 |
-2.6 |
0.346 |
0 |
0 |
0 |
0.000 |
5 |
6 |
|
A |
20 |
6 |
1998 |
◊ |
C |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
18 |
4 |
2039 |
144.6 |
-0.6 |
0.856 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
A |
16 |
3 |
1998 |
◊ |
D |
-y,x-y,z |
2_555 |
16 |
3 |
3214 |
135.7 |
-2.6 |
0.472 |
1 |
1 |
0 |
0.088 |
8 |
|
B |
15 |
3 |
3212 |
◊ |
C |
-y,x-y,z |
2_555 |
18 |
5 |
2039 |
126.3 |
-2.8 |
0.424 |
1 |
1 |
0 |
0.088 |
Average: |
131.0 |
-2.7 |
0.448 |
1 |
1 |
0 |
0.088 |
7 |
9 |
|
D |
8 |
2 |
3214 |
◊ |
A |
x,y,z-1 |
1_554 |
10 |
4 |
1998 |
97.8 |
-0.5 |
0.710 |
1 |
2 |
0 |
0.000 |
8 |
10 |
|
A |
7 |
3 |
1998 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
9 |
3 |
2039 |
90.7 |
-2.3 |
0.364 |
0 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
9 |
3 |
3212 |
◊ |
C |
-y,x-y,z+1 |
2_556 |
10 |
4 |
2039 |
85.3 |
0.3 |
0.839 |
2 |
0 |
0 |
0.000 |
12 |
|
A |
4 |
3 |
1998 |
◊ |
D |
-y,x-y,z+1 |
2_556 |
5 |
2 |
3214 |
27.1 |
1.1 |
0.896 |
0 |
0 |
0 |
0.000 |
Average: |
56.2 |
0.7 |
0.868 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
D |
4 |
2 |
3214 |
◊ |
B |
x,y,z-1 |
1_554 |
6 |
3 |
3212 |
59.3 |
1.3 |
0.877 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
6 |
1 |
3212 |
◊ |
D |
-y,x-y,z+1 |
2_556 |
6 |
1 |
3214 |
48.5 |
-0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
A |
6 |
2 |
1998 |
◊ |
C |
-y,x-y,z |
2_555 |
6 |
2 |
2039 |
45.6 |
-0.6 |
0.565 |
0 |
0 |
0 |
0.008 |
13 |
16 |
|
B |
3 |
1 |
3212 |
x |
B |
-y,x-y,z |
2_555 |
5 |
2 |
3212 |
45.3 |
-0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
5 |
2 |
3214 |
x |
D |
-y,x-y,z |
2_555 |
3 |
1 |
3214 |
44.7 |
0.1 |
0.729 |
0 |
0 |
0 |
0.000 |
Average: |
45.0 |
0.0 |
0.719 |
0 |
0 |
0 |
0.001 |
14 |
18 |
|
B |
7 |
3 |
3212 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2039 |
43.2 |
0.4 |
0.823 |
1 |
0 |
0 |
0.000 |
19 |
|
D |
5 |
3 |
3214 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
1998 |
34.7 |
0.6 |
0.863 |
1 |
0 |
0 |
0.000 |
Average: |
38.9 |
0.5 |
0.843 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[ZN]D:101 |
1 |
1 |
98 |
fx |
[ZN]D:101 |
-y,x-y,z |
2_555 |
1 |
1 |
98 |
36.2 |
-29.0 |
0.000 |
0 |
0 |
0 |
0.335 |
16 |
21 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.1 |
-17.4 |
0.000 |
0 |
0 |
0 |
0.219 |
17 |
22 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
3 |
1 |
3212 |
33.1 |
-17.3 |
0.000 |
0 |
0 |
0 |
0.653 |
23 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
3 |
1 |
3214 |
28.5 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.653 |
Average: |
30.8 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.653 |
18 |
24 |
|
C |
5 |
2 |
2039 |
◊ |
A |
x,y,z-1 |
1_554 |
4 |
2 |
1998 |
31.7 |
-0.4 |
0.617 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
B |
2 |
1 |
3212 |
◊ |
D |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
1 |
1 |
3214 |
31.1 |
0.4 |
0.506 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
A |
6 |
3 |
1998 |
x |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
4 |
1 |
1998 |
30.8 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[CL]D:102 |
1 |
1 |
125 |
fx |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.6 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.168 |
22 |
28 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
3214 |
26.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.127 |
29 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
3212 |
26.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
26.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.127 |
23 |
30 |
|
D |
3 |
1 |
3214 |
◊ |
B |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
2 |
1 |
3212 |
22.5 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
A |
2 |
2 |
1998 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
2 |
1 |
3212 |
10.6 |
0.2 |
0.782 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
C |
2 |
1 |
2039 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
1 |
3214 |
9.2 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
2 |
1 |
3212 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
2 |
1998 |
0.6 |
-0.0 |
0.677 |
0 |
0 |
0 |
0.000 |
Average: |
4.9 |
0.1 |
0.713 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
D |
1 |
1 |
3214 |
◊ |
A |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
1 |
1 |
1998 |
2.8 |
-0.1 |
0.502 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
B |
1 |
1 |
3212 |
x |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
3212 |
2.7 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
D |
1 |
1 |
3214 |
x |
D |
-x+y+2/3,-x+1/3,z-2/3 |
6_554 |
1 |
1 |
3214 |
0.3 |
0.0 |
0.688 |
0 |
0 |
0 |
0.000 |
|