## |
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 |
48 |
17 |
9982 |
◊ |
A |
x,y,z |
1_555 |
56 |
18 |
9843 |
515.9 |
-1.6 |
0.542 |
4 |
4 |
0 |
0.000 |
2 |
|
D |
56 |
16 |
9880 |
◊ |
C |
x,y,z |
1_555 |
48 |
15 |
9947 |
484.3 |
-1.9 |
0.535 |
4 |
2 |
0 |
0.000 |
Average: |
500.1 |
-1.8 |
0.539 |
4 |
3 |
0 |
0.000 |
2 |
3 |
|
D |
41 |
11 |
9880 |
◊ |
B |
x-1,y,z |
1_455 |
40 |
11 |
9982 |
396.2 |
-4.0 |
0.306 |
2 |
4 |
0 |
0.000 |
3 |
4 |
|
[LMP]C:303 |
25 |
1 |
578 |
f |
C |
x,y,z |
1_555 |
58 |
18 |
9947 |
386.0 |
-4.9 |
0.356 |
5 |
0 |
0 |
0.008 |
4 |
5 |
|
[LMP]D:303 |
27 |
1 |
559 |
f |
D |
x,y,z |
1_555 |
54 |
18 |
9880 |
379.6 |
-5.9 |
0.375 |
5 |
0 |
0 |
0.009 |
5 |
6 |
|
[LMP]B:303 |
27 |
1 |
554 |
f |
B |
x,y,z |
1_555 |
54 |
19 |
9982 |
367.9 |
-4.7 |
0.271 |
6 |
0 |
0 |
0.009 |
6 |
7 |
|
B |
37 |
12 |
9982 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
41 |
14 |
9947 |
367.2 |
-0.8 |
0.599 |
6 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
41 |
11 |
9843 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
50 |
14 |
9947 |
366.8 |
-3.2 |
0.353 |
4 |
0 |
0 |
0.000 |
8 |
9 |
|
B |
36 |
11 |
9982 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
42 |
13 |
9843 |
360.9 |
-0.7 |
0.590 |
9 |
0 |
0 |
0.000 |
9 |
10 |
|
[LMP]A:303 |
26 |
1 |
578 |
f |
A |
x,y,z |
1_555 |
51 |
16 |
9843 |
358.9 |
-4.6 |
0.302 |
5 |
0 |
0 |
0.008 |
10 |
11 |
|
D |
35 |
12 |
9880 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
9843 |
330.5 |
-3.1 |
0.245 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
B |
38 |
11 |
9982 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
36 |
10 |
9843 |
304.3 |
-4.2 |
0.226 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
C |
28 |
8 |
9947 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
9843 |
245.6 |
0.6 |
0.682 |
4 |
4 |
0 |
0.000 |
13 |
14 |
|
C |
18 |
7 |
9947 |
◊ |
B |
x,y,z |
1_555 |
17 |
4 |
9982 |
163.8 |
-2.7 |
0.233 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
D |
25 |
7 |
9880 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
6 |
9947 |
146.6 |
0.5 |
0.695 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
B |
14 |
4 |
9982 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
4 |
9880 |
120.7 |
-1.0 |
0.455 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
D |
5 |
1 |
9880 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
1 |
9947 |
46.4 |
0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
17 |
18 |
|
D |
4 |
2 |
9880 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
5 |
2 |
9982 |
42.9 |
1.9 |
0.912 |
1 |
2 |
0 |
0.000 |
18 |
19 |
|
D |
2 |
1 |
9880 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
9843 |
36.7 |
0.7 |
0.817 |
1 |
1 |
0 |
0.000 |
19 |
20 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
9880 |
34.4 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.026 |
21 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9843 |
33.9 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.026 |
22 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
9947 |
33.4 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.026 |
23 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
9982 |
32.4 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
33.5 |
-21.4 |
0.000 |
0 |
0 |
0 |
0.026 |
20 |
24 |
|
[ZN]A:301 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
7 |
4 |
9843 |
34.0 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.030 |
25 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
9880 |
34.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.030 |
26 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
9947 |
33.6 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.030 |
27 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9982 |
33.3 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
33.7 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.030 |
21 |
28 |
|
[LMP]B:303 |
4 |
1 |
554 |
f |
[ZN]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.018 |
29 |
|
[LMP]A:303 |
6 |
1 |
578 |
f |
[ZN]A:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.018 |
30 |
|
[LMP]C:303 |
4 |
1 |
578 |
f |
[ZN]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.8 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.018 |
31 |
|
[LMP]D:303 |
8 |
1 |
559 |
f |
[ZN]D:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
30.9 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.018 |
22 |
32 |
|
C |
5 |
1 |
9947 |
x |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
3 |
9947 |
31.4 |
0.3 |
0.691 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[LMP]C:303 |
5 |
1 |
578 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.013 |
34 |
|
[LMP]B:303 |
6 |
1 |
554 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.013 |
35 |
|
[LMP]A:303 |
5 |
1 |
578 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
27.6 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
36 |
|
[LMP]D:303 |
5 |
1 |
559 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.012 |
25 |
37 |
|
A |
4 |
2 |
9843 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
9880 |
15.7 |
0.6 |
0.789 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[LMP]D:303 |
2 |
1 |
559 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9843 |
12.8 |
0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[ZN]D:302 |
1 |
1 |
98 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.010 |
28 |
40 |
|
[ZN]A:302 |
1 |
1 |
98 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.009 |
29 |
41 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.008 |
30 |
42 |
|
[ZN]C:302 |
1 |
1 |
98 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.008 |
31 |
43 |
|
A |
2 |
1 |
9843 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
9947 |
8.0 |
-0.3 |
0.320 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[LMP]A:303 |
2 |
1 |
578 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
2 |
9947 |
6.3 |
0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
|