## |
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 |
92 |
22 |
3199 |
◊ |
C |
x,y,z |
1_555 |
81 |
19 |
2039 |
840.2 |
-14.2 |
0.592 |
11 |
1 |
2 |
1.000 |
2 |
|
B |
89 |
21 |
3222 |
◊ |
A |
x,y,z |
1_555 |
85 |
20 |
2019 |
838.9 |
-15.2 |
0.531 |
12 |
2 |
2 |
1.000 |
Average: |
839.5 |
-14.7 |
0.561 |
12 |
2 |
2 |
1.000 |
2 |
3 |
|
D |
61 |
16 |
3199 |
◊ |
B |
x,y,z |
1_555 |
63 |
15 |
3222 |
573.8 |
-8.1 |
0.684 |
4 |
0 |
0 |
1.000 |
3 |
4 |
|
D |
56 |
15 |
3199 |
◊ |
B |
-y,x-y,z |
2_555 |
55 |
15 |
3222 |
525.7 |
-8.2 |
0.557 |
2 |
0 |
0 |
1.000 |
4 |
5 |
|
D |
16 |
3 |
3199 |
◊ |
A |
-y,x-y,z |
2_555 |
16 |
4 |
2019 |
153.3 |
-3.0 |
0.406 |
1 |
1 |
0 |
0.098 |
6 |
|
C |
19 |
5 |
2039 |
◊ |
B |
-y,x-y,z |
2_555 |
11 |
3 |
3222 |
128.7 |
-3.0 |
0.297 |
1 |
1 |
0 |
0.098 |
Average: |
141.0 |
-3.0 |
0.352 |
1 |
1 |
0 |
0.098 |
5 |
7 |
|
C |
18 |
5 |
2039 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
21 |
6 |
2019 |
149.4 |
-0.5 |
0.853 |
1 |
0 |
0 |
0.000 |
6 |
8 |
|
C |
22 |
6 |
2039 |
◊ |
B |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
13 |
3 |
3222 |
147.3 |
-1.6 |
0.527 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
A |
9 |
5 |
2019 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
2 |
3199 |
97.7 |
-0.9 |
0.617 |
1 |
0 |
0 |
0.007 |
10 |
|
B |
1 |
1 |
3222 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
2039 |
7.0 |
0.3 |
0.810 |
0 |
0 |
0 |
0.007 |
Average: |
52.4 |
-0.3 |
0.714 |
1 |
0 |
0 |
0.007 |
8 |
11 |
|
C |
9 |
5 |
2039 |
◊ |
B |
-y,x-y,z+1 |
2_556 |
10 |
3 |
3222 |
87.5 |
-0.9 |
0.636 |
1 |
0 |
0 |
0.003 |
12 |
|
D |
4 |
1 |
3199 |
◊ |
A |
-y,x-y,z+1 |
2_556 |
3 |
2 |
2019 |
25.5 |
1.0 |
0.890 |
0 |
0 |
0 |
0.003 |
Average: |
56.5 |
0.0 |
0.763 |
1 |
0 |
0 |
0.003 |
9 |
13 |
|
C |
8 |
3 |
2039 |
◊ |
A |
-y,x-y,z+1 |
2_556 |
8 |
3 |
2019 |
85.3 |
-2.3 |
0.350 |
0 |
0 |
0 |
0.017 |
10 |
14 |
|
B |
8 |
3 |
3222 |
◊ |
D |
x,y,z-1 |
1_554 |
4 |
2 |
3199 |
64.3 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
C |
6 |
2 |
2039 |
◊ |
A |
-y,x-y,z |
2_555 |
6 |
2 |
2019 |
51.1 |
-0.2 |
0.665 |
1 |
0 |
0 |
0.009 |
12 |
16 |
|
D |
6 |
1 |
3199 |
◊ |
B |
-y,x-y,z+1 |
2_556 |
6 |
1 |
3222 |
51.0 |
-0.8 |
0.560 |
0 |
0 |
0 |
0.006 |
13 |
17 |
|
B |
5 |
2 |
3222 |
x |
B |
-y,x-y,z |
2_555 |
3 |
1 |
3222 |
49.1 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
4 |
1 |
3199 |
x |
D |
-y,x-y,z |
2_555 |
4 |
2 |
3199 |
43.9 |
0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
Average: |
46.5 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
14 |
19 |
|
[CL]D:102 |
1 |
1 |
125 |
fx |
[CL]D:102 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
48.6 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.193 |
15 |
20 |
|
B |
6 |
3 |
3222 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2039 |
44.3 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
21 |
|
D |
5 |
3 |
3199 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
2019 |
41.2 |
0.1 |
0.730 |
0 |
0 |
0 |
0.000 |
Average: |
42.8 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
A |
4 |
1 |
2019 |
x |
A |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
7 |
4 |
2019 |
43.9 |
0.3 |
0.790 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
A |
4 |
3 |
2019 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
2 |
2039 |
37.8 |
-0.4 |
0.605 |
0 |
0 |
0 |
0.003 |
18 |
24 |
|
[ZN]B:101 |
1 |
1 |
98 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
3222 |
33.5 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.701 |
25 |
|
[ZN]D:101 |
1 |
1 |
98 |
x |
D |
x,y,z |
1_555 |
3 |
1 |
3199 |
33.3 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.701 |
Average: |
33.4 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.701 |
19 |
26 |
|
[CL]D:102 |
1 |
1 |
125 |
fx |
[ZN]D:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.2 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.304 |
20 |
27 |
|
[CL]B:102 |
1 |
1 |
125 |
f |
[ZN]B:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.216 |
21 |
28 |
|
[CL]D:102 |
1 |
1 |
125 |
x |
D |
x,y,z |
1_555 |
3 |
2 |
3199 |
27.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.171 |
29 |
|
[CL]B:102 |
1 |
1 |
125 |
x |
B |
x,y,z |
1_555 |
2 |
1 |
3222 |
20.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.171 |
Average: |
24.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.171 |
22 |
30 |
|
D |
2 |
1 |
3199 |
◊ |
B |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
2 |
1 |
3222 |
25.1 |
0.6 |
0.561 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
B |
2 |
1 |
3222 |
◊ |
D |
-y-1/3,x-y-2/3,z-2/3 |
5_444 |
3 |
1 |
3199 |
18.3 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
B |
1 |
1 |
3222 |
◊ |
A |
-y-1/3,x-y-2/3,z+1/3 |
5_445 |
3 |
2 |
2019 |
11.2 |
0.2 |
0.795 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
A |
2 |
2 |
2019 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
3222 |
3.7 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
1 |
1 |
3199 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
2039 |
0.3 |
-0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
Average: |
2.0 |
-0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
D |
1 |
1 |
3199 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
1 |
1 |
2019 |
0.6 |
0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
|