## |
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 |
81 |
24 |
6280 |
◊ |
C |
x,y,z |
1_555 |
82 |
23 |
6422 |
696.9 |
-2.7 |
0.655 |
20 |
0 |
0 |
0.054 |
2 |
|
B |
78 |
21 |
6406 |
◊ |
A |
x,y,z |
1_555 |
77 |
21 |
6400 |
695.7 |
-3.3 |
0.600 |
20 |
0 |
0 |
0.054 |
Average: |
696.3 |
-3.0 |
0.627 |
20 |
0 |
0 |
0.054 |
2 |
3 |
|
B |
50 |
16 |
6406 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
61 |
21 |
6400 |
496.9 |
-0.5 |
0.694 |
5 |
4 |
0 |
0.018 |
4 |
|
D |
61 |
21 |
6280 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
48 |
15 |
6422 |
486.8 |
-1.1 |
0.640 |
5 |
4 |
0 |
0.018 |
Average: |
491.9 |
-0.8 |
0.667 |
5 |
4 |
0 |
0.018 |
3 |
5 |
|
D |
43 |
18 |
6280 |
◊ |
B |
x,y,z |
1_555 |
45 |
17 |
6406 |
445.8 |
-10.5 |
0.017 |
5 |
0 |
0 |
0.061 |
6 |
|
C |
44 |
16 |
6422 |
◊ |
A |
x,y,z |
1_555 |
44 |
17 |
6400 |
432.3 |
-10.8 |
0.013 |
5 |
0 |
0 |
0.061 |
Average: |
439.0 |
-10.7 |
0.015 |
5 |
0 |
0 |
0.061 |
4 |
7 |
|
C |
44 |
12 |
6422 |
◊ |
B |
x,y,z |
1_555 |
45 |
12 |
6406 |
414.0 |
-7.5 |
0.119 |
6 |
0 |
0 |
0.051 |
8 |
|
D |
45 |
12 |
6280 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
6400 |
402.6 |
-7.6 |
0.119 |
6 |
0 |
0 |
0.051 |
Average: |
408.3 |
-7.6 |
0.119 |
6 |
0 |
0 |
0.051 |
5 |
9 |
|
B |
21 |
9 |
6406 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
19 |
7 |
6400 |
186.0 |
-1.5 |
0.466 |
2 |
1 |
0 |
0.000 |
10 |
|
D |
17 |
6 |
6280 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
22 |
9 |
6422 |
181.4 |
-1.1 |
0.509 |
2 |
2 |
0 |
0.000 |
Average: |
183.7 |
-1.3 |
0.488 |
2 |
2 |
0 |
0.000 |
6 |
11 |
|
B |
19 |
6 |
6406 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
6 |
6400 |
165.7 |
1.1 |
0.811 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
4 |
6422 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
6 |
6280 |
128.0 |
0.4 |
0.686 |
1 |
0 |
0 |
0.000 |
Average: |
146.8 |
0.8 |
0.749 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
[ACT]B:132 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
6406 |
114.0 |
-1.0 |
0.600 |
1 |
0 |
0 |
0.007 |
8 |
14 |
|
[ACT]C:131 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
23 |
12 |
6422 |
113.3 |
-1.0 |
0.610 |
2 |
0 |
0 |
0.009 |
9 |
15 |
|
[ACT]D:130 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
22 |
11 |
6280 |
109.0 |
-0.9 |
0.613 |
0 |
0 |
0 |
0.004 |
10 |
16 |
|
[GOL]B:131 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
6406 |
97.1 |
-0.2 |
0.553 |
3 |
0 |
0 |
0.007 |
11 |
17 |
|
[GOL]C:132 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
6422 |
96.8 |
0.3 |
0.622 |
3 |
0 |
0 |
0.005 |
12 |
18 |
|
[GOL]D:132 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
6280 |
91.5 |
0.5 |
0.672 |
2 |
0 |
0 |
0.002 |
13 |
19 |
|
[GOL]A:131 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
6400 |
89.1 |
1.0 |
0.719 |
2 |
0 |
0 |
0.000 |
14 |
20 |
|
[GOL]D:134 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
6280 |
88.5 |
0.9 |
0.707 |
3 |
0 |
0 |
0.002 |
15 |
21 |
|
[GOL]A:133 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
6400 |
88.0 |
0.1 |
0.646 |
1 |
0 |
0 |
0.002 |
16 |
22 |
|
[ACT]C:130 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
6422 |
87.0 |
-0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[GOL]A:133 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
6406 |
83.7 |
-0.7 |
0.476 |
1 |
0 |
0 |
0.005 |
18 |
24 |
|
[GOL]D:132 |
5 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
6422 |
82.1 |
-0.7 |
0.468 |
1 |
0 |
0 |
0.005 |
19 |
25 |
|
D |
13 |
4 |
6280 |
◊ |
[GOL]C:132 |
-x,y-1/2,-z |
2_545 |
6 |
1 |
217 |
77.8 |
-0.9 |
0.458 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[GOL]A:132 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
6400 |
75.4 |
-0.1 |
0.622 |
7 |
0 |
0 |
0.016 |
21 |
27 |
|
[GOL]A:132 |
6 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
6280 |
74.4 |
-0.8 |
0.462 |
4 |
0 |
0 |
0.013 |
22 |
28 |
|
[ACT]D:131 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
6280 |
69.7 |
0.7 |
0.768 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[GOL]B:131 |
4 |
1 |
217 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
13 |
5 |
6400 |
64.7 |
-0.6 |
0.488 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
[ACT]C:134 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
6422 |
64.3 |
-0.8 |
0.557 |
2 |
0 |
0 |
0.008 |
25 |
31 |
|
[ACT]C:130 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
6280 |
61.8 |
-0.2 |
0.706 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[ACT]C:134 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
6406 |
57.5 |
-0.1 |
0.722 |
1 |
0 |
0 |
0.001 |
27 |
33 |
|
[ZN]C:133 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
6422 |
51.4 |
-36.4 |
0.000 |
0 |
0 |
0 |
0.311 |
34 |
|
[ZN]B:129 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6406 |
50.3 |
-36.8 |
0.000 |
0 |
0 |
0 |
0.311 |
35 |
|
[ZN]D:133 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
6280 |
39.0 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.311 |
36 |
|
[ZN]A:134 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
6400 |
37.8 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.311 |
Average: |
44.6 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.311 |
28 |
37 |
|
[ZN]C:128 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
6422 |
49.9 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.307 |
38 |
|
[ZN]B:128 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6406 |
49.6 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.307 |
39 |
|
[ZN]D:128 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
6280 |
49.4 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.307 |
40 |
|
[ZN]A:129 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6400 |
49.3 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.307 |
Average: |
49.5 |
-31.1 |
0.000 |
0 |
0 |
0 |
0.307 |
29 |
41 |
|
[ZN]C:129 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
5 |
3 |
6422 |
44.5 |
-31.5 |
0.000 |
0 |
0 |
0 |
0.288 |
42 |
|
[ZN]B:130 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
6 |
3 |
6406 |
44.5 |
-31.4 |
0.000 |
0 |
0 |
0 |
0.288 |
43 |
|
[ZN]D:129 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
6 |
4 |
6280 |
40.7 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.288 |
44 |
|
[ZN]A:130 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
5 |
3 |
6400 |
39.2 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.288 |
Average: |
42.2 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.288 |
30 |
45 |
|
[ACT]D:131 |
2 |
1 |
183 |
f |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
6422 |
35.6 |
-0.2 |
0.625 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[ZN]D:133 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
6422 |
27.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.053 |
47 |
|
B |
4 |
1 |
6406 |
◊ |
[ZN]A:134 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
98 |
26.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
27.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.053 |
32 |
48 |
|
[ACT]C:134 |
2 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
6400 |
27.3 |
-0.5 |
0.545 |
0 |
0 |
0 |
0.002 |
33 |
49 |
|
[ZN]C:129 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6280 |
17.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.067 |
50 |
|
[ZN]B:130 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6400 |
17.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.067 |
51 |
|
[ZN]D:129 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6422 |
15.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.067 |
52 |
|
[ZN]A:130 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6406 |
15.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.067 |
Average: |
16.5 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.067 |
34 |
53 |
|
[GOL]A:132 |
2 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
6406 |
16.3 |
0.1 |
0.695 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
[GOL]A:133 |
2 |
1 |
218 |
f |
[ZN]A:130 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.028 |
36 |
55 |
|
[GOL]D:132 |
1 |
1 |
222 |
f |
[ZN]D:129 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.018 |
37 |
56 |
|
[ACT]C:134 |
3 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6280 |
9.2 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
38 |
57 |
|
[GOL]D:134 |
1 |
1 |
219 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
6422 |
6.3 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
A |
1 |
1 |
6400 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
6400 |
6.3 |
0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
[ACT]C:131 |
2 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
6280 |
5.5 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
41 |
60 |
|
[ACT]D:130 |
1 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6422 |
4.9 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
[GOL]A:132 |
2 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6422 |
4.5 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
43 |
62 |
|
[ACT]B:132 |
1 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6400 |
4.4 |
0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
44 |
63 |
|
B |
2 |
2 |
6406 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
2 |
6280 |
3.7 |
-0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
64 |
|
C |
1 |
1 |
6422 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
6400 |
1.7 |
-0.0 |
0.590 |
0 |
0 |
0 |
0.000 |
Average: |
2.7 |
-0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
|