## |
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 |
114 |
36 |
11925 |
◊ |
A |
x,y,z |
1_555 |
106 |
34 |
12213 |
1057.0 |
-0.6 |
0.729 |
20 |
8 |
0 |
0.000 |
2 |
|
D |
110 |
35 |
11804 |
◊ |
C |
x,y,z |
1_555 |
110 |
35 |
12017 |
1031.2 |
-0.2 |
0.799 |
21 |
8 |
0 |
0.000 |
Average: |
1044.1 |
-0.4 |
0.764 |
21 |
8 |
0 |
0.000 |
2 |
3 |
|
D |
46 |
15 |
11804 |
◊ |
B |
x,y,z |
1_555 |
47 |
15 |
11925 |
452.2 |
-5.1 |
0.215 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
42 |
14 |
11804 |
◊ |
B |
x,y,z-1 |
1_554 |
40 |
13 |
11925 |
401.6 |
-1.8 |
0.519 |
2 |
0 |
0 |
0.000 |
5 |
|
C |
30 |
12 |
12017 |
◊ |
A |
x,y,z-1 |
1_554 |
37 |
15 |
12213 |
332.3 |
-1.9 |
0.430 |
3 |
0 |
0 |
0.000 |
Average: |
366.9 |
-1.8 |
0.475 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
40 |
12 |
11925 |
◊ |
A |
x-1,y,z |
1_455 |
43 |
12 |
12213 |
391.6 |
2.6 |
0.868 |
8 |
0 |
0 |
0.000 |
7 |
|
D |
31 |
11 |
11804 |
◊ |
C |
x-1,y,z |
1_455 |
35 |
11 |
12017 |
291.5 |
2.4 |
0.863 |
8 |
0 |
0 |
0.000 |
Average: |
341.5 |
2.5 |
0.866 |
8 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
34 |
11 |
11925 |
◊ |
C |
x-1,y,z |
1_455 |
33 |
10 |
12017 |
314.4 |
-1.6 |
0.500 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
[6YH]D:302 |
22 |
1 |
500 |
f |
D |
x,y,z |
1_555 |
39 |
19 |
11804 |
302.1 |
2.9 |
0.285 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
[6YH]C:302 |
21 |
1 |
501 |
f |
C |
x,y,z |
1_555 |
37 |
19 |
12017 |
295.8 |
4.3 |
0.436 |
4 |
0 |
0 |
0.000 |
8 |
11 |
|
C |
30 |
8 |
12017 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
36 |
17 |
11804 |
292.3 |
1.2 |
0.771 |
4 |
2 |
0 |
0.000 |
12 |
|
A |
29 |
8 |
12213 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
34 |
15 |
11925 |
279.9 |
0.6 |
0.713 |
5 |
3 |
0 |
0.000 |
Average: |
286.1 |
0.9 |
0.742 |
5 |
3 |
0 |
0.000 |
9 |
13 |
|
[6YH]B:302 |
22 |
1 |
501 |
f |
B |
x,y,z |
1_555 |
31 |
16 |
11925 |
267.5 |
3.1 |
0.270 |
3 |
0 |
0 |
0.000 |
14 |
|
[6YH]A:302 |
21 |
1 |
501 |
f |
A |
x,y,z |
1_555 |
32 |
15 |
12213 |
262.5 |
3.9 |
0.371 |
3 |
0 |
0 |
0.000 |
Average: |
265.0 |
3.5 |
0.320 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
C |
25 |
12 |
12017 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
12213 |
253.7 |
-0.9 |
0.519 |
4 |
0 |
0 |
0.000 |
11 |
16 |
|
D |
28 |
9 |
11804 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
26 |
7 |
11804 |
225.9 |
-0.7 |
0.593 |
3 |
3 |
0 |
0.000 |
17 |
|
B |
28 |
11 |
11925 |
x |
B |
-x,y-1/2,-z |
2_545 |
24 |
8 |
11925 |
222.1 |
-1.1 |
0.515 |
2 |
1 |
0 |
0.000 |
Average: |
224.0 |
-0.9 |
0.554 |
3 |
2 |
0 |
0.000 |
12 |
18 |
|
D |
21 |
7 |
11804 |
◊ |
A |
x-1,y,z-1 |
1_454 |
29 |
11 |
12213 |
225.8 |
-1.1 |
0.502 |
3 |
0 |
0 |
0.000 |
13 |
19 |
|
D |
22 |
6 |
11804 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
19 |
4 |
12017 |
172.0 |
0.1 |
0.631 |
3 |
2 |
0 |
0.000 |
20 |
|
B |
18 |
5 |
11925 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
18 |
4 |
12213 |
145.8 |
-0.6 |
0.516 |
2 |
0 |
0 |
0.000 |
Average: |
158.9 |
-0.2 |
0.574 |
3 |
1 |
0 |
0.000 |
14 |
21 |
|
B |
14 |
6 |
11925 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
20 |
8 |
11804 |
147.3 |
-0.3 |
0.591 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]D:303 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
11804 |
108.4 |
4.4 |
0.545 |
3 |
0 |
0 |
0.000 |
23 |
|
[EDO]B:303 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
9 |
11925 |
108.2 |
4.3 |
0.535 |
4 |
0 |
0 |
0.000 |
Average: |
108.3 |
4.3 |
0.540 |
4 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
12213 |
93.3 |
2.5 |
0.467 |
2 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
11925 |
90.6 |
2.4 |
0.473 |
3 |
0 |
0 |
0.000 |
26 |
|
[EDO]D:304 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
11804 |
90.1 |
2.4 |
0.475 |
3 |
0 |
0 |
0.000 |
Average: |
91.3 |
2.5 |
0.472 |
3 |
0 |
0 |
0.000 |
17 |
27 |
|
[EDO]A:303 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
12213 |
91.5 |
2.0 |
0.245 |
2 |
0 |
0 |
0.000 |
18 |
28 |
|
[EDO]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
12017 |
90.7 |
2.4 |
0.474 |
1 |
0 |
0 |
0.000 |
19 |
29 |
|
[EDO]D:305 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
11804 |
77.7 |
3.1 |
0.340 |
2 |
0 |
0 |
0.000 |
20 |
30 |
|
[EDO]B:305 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11925 |
75.9 |
3.4 |
0.338 |
2 |
0 |
0 |
0.000 |
21 |
31 |
|
[EDO]A:305 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12213 |
74.4 |
2.8 |
0.953 |
2 |
0 |
0 |
0.000 |
22 |
32 |
|
[EDO]C:304 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12017 |
72.5 |
2.6 |
0.962 |
3 |
0 |
0 |
0.000 |
23 |
33 |
|
[EDO]A:305 |
3 |
1 |
185 |
f |
[6YH]A:302 |
x,y,z |
1_555 |
8 |
1 |
501 |
46.0 |
0.9 |
0.215 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[EDO]B:305 |
3 |
1 |
186 |
f |
[6YH]B:302 |
x,y,z |
1_555 |
7 |
1 |
501 |
42.6 |
0.8 |
0.276 |
0 |
0 |
0 |
0.000 |
25 |
35 |
|
[EDO]D:305 |
3 |
1 |
186 |
f |
[6YH]D:302 |
x,y,z |
1_555 |
9 |
1 |
500 |
42.0 |
0.9 |
0.244 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
[EDO]C:304 |
3 |
1 |
186 |
f |
[6YH]C:302 |
x,y,z |
1_555 |
7 |
1 |
501 |
39.2 |
0.7 |
0.234 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[EDO]C:303 |
2 |
1 |
184 |
f |
[6YH]C:302 |
x,y,z |
1_555 |
8 |
1 |
501 |
38.9 |
2.1 |
0.317 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
[6YH]A:302 |
x,y,z |
1_555 |
9 |
1 |
501 |
38.6 |
2.0 |
0.373 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]B:304 |
4 |
1 |
184 |
f |
[6YH]B:302 |
x,y,z |
1_555 |
9 |
1 |
501 |
38.5 |
2.0 |
0.389 |
0 |
0 |
0 |
0.000 |
Average: |
38.6 |
2.0 |
0.381 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[EDO]D:304 |
3 |
1 |
185 |
f |
[6YH]D:302 |
x,y,z |
1_555 |
9 |
1 |
500 |
38.6 |
2.0 |
0.141 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
12017 |
33.0 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.088 |
42 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
12213 |
32.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.088 |
43 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
11925 |
32.3 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.088 |
44 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
11804 |
32.3 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
32.5 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.088 |
31 |
45 |
|
[6YH]D:302 |
4 |
1 |
500 |
cf |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.1 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.043 |
46 |
|
[6YH]A:302 |
5 |
1 |
501 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.043 |
47 |
|
[6YH]B:302 |
3 |
1 |
501 |
cf |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.043 |
48 |
|
[6YH]C:302 |
4 |
1 |
501 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.4 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
29.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.043 |
32 |
49 |
|
[EDO]B:305 |
3 |
1 |
186 |
f |
[EDO]B:304 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.7 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
33 |
50 |
|
[EDO]A:305 |
2 |
1 |
185 |
f |
[EDO]A:304 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.7 |
0.8 |
1.000 |
1 |
0 |
0 |
0.000 |
34 |
51 |
|
[EDO]C:304 |
2 |
1 |
186 |
f |
[EDO]C:303 |
x,y,z |
1_555 |
2 |
1 |
184 |
24.5 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
52 |
|
[EDO]D:305 |
4 |
1 |
186 |
f |
[EDO]D:304 |
x,y,z |
1_555 |
3 |
1 |
185 |
21.8 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
[EDO]B:304 |
2 |
1 |
184 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.013 |
54 |
|
[EDO]D:304 |
2 |
1 |
185 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
55 |
|
[EDO]A:304 |
2 |
1 |
184 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
10.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
37 |
56 |
|
[EDO]C:303 |
1 |
1 |
184 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.011 |
38 |
57 |
|
D |
1 |
1 |
11804 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12213 |
5.2 |
-0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
39 |
58 |
|
A |
3 |
1 |
12213 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12017 |
1.7 |
-0.0 |
0.511 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
D |
1 |
1 |
11804 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11925 |
0.3 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
|