## |
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 |
275 |
76 |
19988 |
◊ |
C |
x,y,z |
1_555 |
280 |
79 |
20039 |
2584.1 |
-15.2 |
0.232 |
39 |
5 |
0 |
0.590 |
2 |
|
B |
272 |
76 |
20020 |
◊ |
A |
x,y,z |
1_555 |
283 |
79 |
20097 |
2581.9 |
-14.1 |
0.318 |
41 |
12 |
0 |
0.590 |
Average: |
2583.0 |
-14.6 |
0.275 |
40 |
9 |
0 |
0.590 |
2 |
3 |
|
F |
40 |
6 |
1001 |
◊ |
C |
x,y,z |
1_555 |
71 |
27 |
20039 |
530.9 |
-3.1 |
0.577 |
10 |
4 |
0 |
0.222 |
4 |
|
E |
40 |
6 |
947 |
◊ |
A |
x,y,z |
1_555 |
66 |
22 |
20097 |
489.1 |
-5.2 |
0.450 |
10 |
4 |
0 |
0.222 |
Average: |
510.0 |
-4.2 |
0.513 |
10 |
4 |
0 |
0.222 |
3 |
5 |
|
D |
46 |
14 |
19988 |
x |
D |
x-1,y,z |
1_455 |
46 |
11 |
19988 |
421.1 |
-1.1 |
0.576 |
6 |
2 |
0 |
0.000 |
6 |
|
B |
46 |
12 |
20020 |
x |
B |
x-1,y,z |
1_455 |
47 |
14 |
20020 |
420.3 |
0.3 |
0.735 |
6 |
2 |
0 |
0.000 |
Average: |
420.7 |
-0.4 |
0.656 |
6 |
2 |
0 |
0.000 |
4 |
7 |
|
D |
37 |
11 |
19988 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
37 |
10 |
20097 |
348.4 |
-2.5 |
0.343 |
5 |
1 |
0 |
0.000 |
5 |
8 |
|
D |
27 |
10 |
19988 |
◊ |
B |
x,y,z |
1_555 |
31 |
12 |
20020 |
275.7 |
0.5 |
0.661 |
6 |
2 |
0 |
0.000 |
9 |
|
D |
30 |
13 |
19988 |
◊ |
B |
x,y,z-1 |
1_554 |
24 |
10 |
20020 |
250.5 |
-0.6 |
0.574 |
5 |
2 |
0 |
0.000 |
Average: |
263.1 |
-0.1 |
0.617 |
6 |
2 |
0 |
0.000 |
6 |
10 |
|
[MES]A:502 |
12 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
20097 |
206.9 |
5.8 |
0.264 |
0 |
0 |
0 |
0.000 |
11 |
|
[MES]C:502 |
12 |
1 |
327 |
f |
C |
x,y,z |
1_555 |
40 |
13 |
20039 |
206.6 |
5.7 |
0.292 |
0 |
0 |
0 |
0.000 |
Average: |
206.8 |
5.7 |
0.278 |
0 |
0 |
0 |
0.000 |
7 |
12 |
|
C |
28 |
11 |
20039 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
19 |
8 |
20020 |
197.5 |
-1.9 |
0.363 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
17 |
6 |
20039 |
◊ |
B |
x-1,y,z |
1_455 |
22 |
9 |
20020 |
158.1 |
1.2 |
0.792 |
2 |
5 |
0 |
0.000 |
14 |
|
D |
22 |
8 |
19988 |
◊ |
A |
x-1,y,z-1 |
1_454 |
18 |
7 |
20097 |
153.2 |
1.3 |
0.791 |
2 |
5 |
0 |
0.000 |
Average: |
155.6 |
1.3 |
0.792 |
2 |
5 |
0 |
0.000 |
9 |
15 |
|
D |
14 |
6 |
19988 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
4 |
20020 |
129.2 |
2.4 |
0.901 |
4 |
5 |
0 |
0.000 |
16 |
|
D |
10 |
3 |
19988 |
◊ |
B |
x-1,y,z-1 |
1_454 |
9 |
5 |
20020 |
106.9 |
1.9 |
0.893 |
3 |
4 |
0 |
0.000 |
Average: |
118.0 |
2.2 |
0.897 |
4 |
5 |
0 |
0.000 |
10 |
17 |
|
[MES]B:701 |
9 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20020 |
127.2 |
2.3 |
0.125 |
0 |
0 |
0 |
0.000 |
18 |
|
[MES]D:701 |
9 |
1 |
340 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
19988 |
125.8 |
2.3 |
0.103 |
0 |
0 |
0 |
0.000 |
Average: |
126.5 |
2.3 |
0.114 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[EDO]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
20097 |
120.1 |
3.5 |
0.604 |
3 |
0 |
0 |
0.000 |
12 |
20 |
|
[EDO]C:503 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
20039 |
118.4 |
3.4 |
0.418 |
3 |
0 |
0 |
0.000 |
13 |
21 |
|
[MES]D:701 |
7 |
1 |
340 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
6 |
19988 |
102.4 |
3.5 |
0.379 |
0 |
0 |
0 |
0.000 |
22 |
|
B |
17 |
6 |
20020 |
◊ |
[MES]B:701 |
x-1,y,z |
1_455 |
7 |
1 |
337 |
99.5 |
3.3 |
0.408 |
0 |
0 |
0 |
0.000 |
Average: |
100.9 |
3.4 |
0.394 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
[EDO]B:705 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
20020 |
89.0 |
2.9 |
0.491 |
2 |
0 |
0 |
0.000 |
15 |
24 |
|
[EDO]D:705 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
19988 |
87.4 |
2.4 |
0.278 |
2 |
0 |
0 |
0.000 |
16 |
25 |
|
C |
10 |
6 |
20039 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
11 |
5 |
20097 |
81.8 |
-0.8 |
0.385 |
1 |
0 |
0 |
0.000 |
17 |
26 |
|
[EDO]D:703 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
19988 |
81.3 |
1.8 |
0.275 |
4 |
0 |
0 |
0.000 |
18 |
27 |
|
[EDO]B:703 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
19988 |
78.4 |
2.3 |
0.254 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[EDO]B:703 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20020 |
76.9 |
1.4 |
0.768 |
4 |
0 |
0 |
0.020 |
20 |
29 |
|
[EDO]D:703 |
4 |
1 |
183 |
◊ |
B |
x,y,z-1 |
1_554 |
10 |
6 |
20020 |
74.1 |
2.2 |
0.257 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]B:704 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
20020 |
72.9 |
1.9 |
0.834 |
2 |
0 |
0 |
0.000 |
31 |
|
[EDO]D:704 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
19988 |
72.3 |
1.7 |
0.825 |
3 |
0 |
0 |
0.000 |
Average: |
72.6 |
1.8 |
0.829 |
3 |
0 |
0 |
0.000 |
22 |
32 |
|
[EDO]D:702 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
19988 |
59.6 |
1.2 |
0.764 |
2 |
0 |
0 |
0.000 |
23 |
33 |
|
[EDO]B:702 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
20020 |
58.6 |
1.1 |
0.747 |
2 |
0 |
0 |
0.000 |
24 |
34 |
|
[NA]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
20039 |
58.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.163 |
25 |
35 |
|
[EDO]B:702 |
3 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
3 |
20020 |
58.3 |
2.1 |
0.309 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
D |
6 |
3 |
19988 |
◊ |
[EDO]D:702 |
x-1,y,z |
1_455 |
3 |
1 |
185 |
57.1 |
2.1 |
0.310 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
F |
12 |
4 |
1001 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
19988 |
55.4 |
0.2 |
0.772 |
0 |
0 |
0 |
0.000 |
38 |
|
E |
1 |
1 |
947 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20020 |
0.6 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
Average: |
28.0 |
0.1 |
0.722 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[NA]B:706 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20020 |
55.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.371 |
40 |
|
[NA]D:706 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
19988 |
55.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.371 |
Average: |
55.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.371 |
29 |
41 |
|
A |
5 |
2 |
20097 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
3 |
20020 |
51.9 |
1.8 |
0.930 |
2 |
1 |
0 |
0.000 |
42 |
|
D |
5 |
3 |
19988 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
20039 |
47.7 |
1.5 |
0.909 |
2 |
1 |
0 |
0.000 |
Average: |
49.8 |
1.7 |
0.919 |
2 |
1 |
0 |
0.000 |
30 |
43 |
|
[NA]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
20097 |
47.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.109 |
31 |
44 |
|
[EDO]D:702 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
20039 |
47.9 |
1.1 |
0.870 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
[EDO]B:702 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
20097 |
46.6 |
1.1 |
0.858 |
1 |
0 |
0 |
0.000 |
33 |
46 |
|
D |
4 |
1 |
19988 |
◊ |
[EDO]B:704 |
x,y,z-1 |
1_554 |
2 |
1 |
186 |
39.3 |
0.7 |
0.324 |
0 |
0 |
0 |
0.000 |
47 |
|
[EDO]D:704 |
3 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
20020 |
34.8 |
0.6 |
0.477 |
0 |
0 |
0 |
0.000 |
Average: |
37.0 |
0.7 |
0.400 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
C |
5 |
3 |
20039 |
◊ |
[NA]A:504 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
125 |
37.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
20039 |
36.5 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.549 |
50 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20097 |
36.5 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.549 |
Average: |
36.5 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.549 |
36 |
51 |
|
[ZN]A:501 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
947 |
31.3 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.292 |
52 |
|
[ZN]C:501 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
1001 |
30.3 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.292 |
Average: |
30.8 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.292 |
37 |
53 |
|
C |
2 |
2 |
20039 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
20097 |
22.8 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
38 |
54 |
|
A |
4 |
2 |
20097 |
x |
A |
x-1,y,z |
1_455 |
3 |
2 |
20097 |
21.9 |
0.7 |
0.804 |
0 |
0 |
0 |
0.000 |
55 |
|
C |
3 |
2 |
20039 |
x |
C |
x-1,y,z |
1_455 |
3 |
2 |
20039 |
19.1 |
0.2 |
0.708 |
0 |
0 |
0 |
0.000 |
Average: |
20.5 |
0.5 |
0.756 |
0 |
0 |
0 |
0.000 |
39 |
56 |
|
B |
1 |
1 |
20020 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
20097 |
10.8 |
0.3 |
0.784 |
0 |
0 |
0 |
0.000 |
57 |
|
C |
3 |
1 |
20039 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
19988 |
8.5 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
Average: |
9.6 |
0.2 |
0.777 |
0 |
0 |
0 |
0.000 |
40 |
58 |
|
[NA]C:504 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
20097 |
3.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|