## |
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 |
76 |
21 |
6646 |
◊ |
A |
x,y,z |
1_555 |
90 |
24 |
6675 |
758.0 |
-3.9 |
0.610 |
17 |
0 |
0 |
0.055 |
2 |
|
D |
79 |
21 |
6809 |
◊ |
C |
x,y,z |
1_555 |
82 |
24 |
6732 |
731.9 |
-3.5 |
0.610 |
19 |
0 |
0 |
0.055 |
Average: |
744.9 |
-3.7 |
0.610 |
18 |
0 |
0 |
0.055 |
2 |
3 |
|
C |
56 |
19 |
6732 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
52 |
15 |
6809 |
505.1 |
0.1 |
0.721 |
5 |
1 |
0 |
0.014 |
4 |
|
B |
47 |
14 |
6646 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
58 |
20 |
6675 |
459.0 |
-0.6 |
0.693 |
4 |
3 |
0 |
0.014 |
Average: |
482.1 |
-0.2 |
0.707 |
5 |
2 |
0 |
0.014 |
3 |
5 |
|
C |
43 |
16 |
6732 |
◊ |
B |
x,y,z |
1_555 |
47 |
16 |
6646 |
458.0 |
-11.4 |
0.017 |
4 |
0 |
0 |
0.070 |
6 |
|
D |
37 |
15 |
6809 |
◊ |
A |
x,y,z |
1_555 |
39 |
15 |
6675 |
431.7 |
-9.9 |
0.016 |
4 |
0 |
0 |
0.070 |
Average: |
444.8 |
-10.7 |
0.017 |
4 |
0 |
0 |
0.070 |
4 |
7 |
|
D |
46 |
13 |
6809 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
6646 |
431.2 |
-7.2 |
0.156 |
6 |
0 |
0 |
0.043 |
8 |
|
C |
42 |
12 |
6732 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
6675 |
425.8 |
-7.6 |
0.110 |
6 |
0 |
0 |
0.043 |
Average: |
428.5 |
-7.4 |
0.133 |
6 |
0 |
0 |
0.043 |
5 |
9 |
|
C |
16 |
6 |
6732 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
8 |
6809 |
186.2 |
0.4 |
0.746 |
3 |
0 |
0 |
0.010 |
10 |
|
B |
23 |
10 |
6646 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
19 |
6 |
6675 |
183.6 |
-1.0 |
0.582 |
2 |
0 |
0 |
0.010 |
Average: |
184.9 |
-0.3 |
0.664 |
3 |
0 |
0 |
0.010 |
6 |
11 |
|
C |
18 |
6 |
6732 |
◊ |
D |
x,y,z-1 |
1_554 |
18 |
6 |
6809 |
151.1 |
0.8 |
0.787 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
12 |
4 |
6675 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
4 |
6646 |
89.8 |
-0.6 |
0.575 |
0 |
0 |
0 |
0.000 |
Average: |
120.5 |
0.1 |
0.681 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
[ACT]D:131 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
22 |
12 |
6809 |
119.4 |
-0.9 |
0.613 |
1 |
0 |
0 |
0.007 |
8 |
14 |
|
[GOL]B:131 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
6646 |
119.4 |
-0.1 |
0.589 |
2 |
0 |
0 |
0.005 |
9 |
15 |
|
[ACT]C:131 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
6732 |
116.8 |
-1.0 |
0.598 |
1 |
0 |
0 |
0.008 |
10 |
16 |
|
[ACT]A:132 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
6675 |
111.5 |
-0.9 |
0.608 |
1 |
0 |
0 |
0.007 |
11 |
17 |
|
[ACT]D:132 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
6809 |
90.4 |
-0.4 |
0.667 |
1 |
0 |
0 |
0.004 |
12 |
18 |
|
[GOL]A:134 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6675 |
89.1 |
0.5 |
0.727 |
2 |
0 |
0 |
0.002 |
13 |
19 |
|
[ACT]A:131 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
6646 |
77.3 |
-0.6 |
0.636 |
2 |
0 |
0 |
0.007 |
14 |
20 |
|
[ACT]A:131 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6675 |
74.3 |
-0.7 |
0.584 |
3 |
0 |
0 |
0.010 |
15 |
21 |
|
[ACT]D:132 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
6732 |
63.3 |
-0.2 |
0.713 |
1 |
0 |
0 |
0.003 |
16 |
22 |
|
[ACT]A:133 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6675 |
61.4 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[ZN]D:128 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
6809 |
50.0 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.294 |
24 |
|
[ZN]B:129 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
6646 |
44.7 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.294 |
25 |
|
[ZN]A:128 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
6675 |
40.4 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.294 |
26 |
|
[ZN]C:129 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
5 |
3 |
6732 |
39.3 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.294 |
Average: |
43.6 |
-27.2 |
0.000 |
0 |
0 |
0 |
0.294 |
18 |
27 |
|
[ZN]A:129 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
6675 |
49.0 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.324 |
28 |
|
[ZN]C:130 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
6732 |
48.8 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.324 |
29 |
|
[ZN]B:128 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6646 |
48.3 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.324 |
30 |
|
[ZN]D:129 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
6809 |
48.1 |
-30.4 |
0.000 |
0 |
0 |
0 |
0.324 |
Average: |
48.6 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.324 |
19 |
31 |
|
[ZN]C:128 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
6732 |
46.5 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.336 |
32 |
|
[ZN]B:130 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
6646 |
46.4 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.336 |
33 |
|
[ZN]D:130 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
5 |
3 |
6809 |
46.3 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.336 |
34 |
|
[ZN]A:130 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
4 |
6675 |
45.9 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.336 |
Average: |
46.3 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.336 |
20 |
35 |
|
[ZN]C:129 |
1 |
1 |
98 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
6809 |
34.5 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.078 |
36 |
|
B |
6 |
2 |
6646 |
◊ |
[ZN]A:128 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
98 |
33.6 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
34.1 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.078 |
21 |
37 |
|
[GOL]B:131 |
3 |
1 |
217 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
6675 |
31.9 |
1.3 |
0.821 |
2 |
0 |
0 |
0.000 |
22 |
38 |
|
[ZN]B:129 |
1 |
1 |
98 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
6675 |
25.2 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.056 |
23 |
39 |
|
[ZN]C:128 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6809 |
17.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.070 |
40 |
|
[ZN]A:130 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6646 |
16.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.070 |
41 |
|
[ZN]D:130 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6732 |
16.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.070 |
42 |
|
[ZN]B:130 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6675 |
16.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
16.6 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.070 |
24 |
43 |
|
A |
1 |
1 |
6675 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
6675 |
4.5 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
44 |
|
C |
1 |
1 |
6732 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
6732 |
4.3 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
Average: |
4.4 |
0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
[ACT]C:131 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6809 |
4.0 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
26 |
46 |
|
[ACT]A:133 |
1 |
1 |
182 |
f |
[ZN]A:129 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.007 |
|