## |
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 |
113 |
37 |
12144 |
◊ |
A |
x,y,z |
1_555 |
103 |
35 |
11984 |
1018.4 |
1.4 |
0.807 |
20 |
7 |
0 |
0.000 |
2 |
|
D |
111 |
37 |
11816 |
◊ |
C |
x,y,z |
1_555 |
108 |
35 |
12098 |
1014.6 |
1.7 |
0.831 |
21 |
7 |
0 |
0.000 |
Average: |
1016.5 |
1.5 |
0.819 |
21 |
7 |
0 |
0.000 |
2 |
3 |
|
D |
48 |
14 |
11816 |
◊ |
B |
x,y,z |
1_555 |
43 |
15 |
12144 |
449.3 |
-5.2 |
0.198 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
D |
40 |
14 |
11816 |
◊ |
B |
x,y,z-1 |
1_554 |
41 |
13 |
12144 |
436.9 |
-2.5 |
0.421 |
4 |
0 |
0 |
0.000 |
5 |
|
C |
25 |
11 |
12098 |
◊ |
A |
x,y,z-1 |
1_554 |
33 |
13 |
11984 |
330.1 |
-1.3 |
0.471 |
1 |
0 |
0 |
0.000 |
Average: |
383.5 |
-1.9 |
0.446 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
[WWX]B:303 |
32 |
1 |
656 |
f |
B |
x,y,z |
1_555 |
56 |
24 |
12144 |
429.7 |
-5.6 |
0.208 |
6 |
0 |
0 |
0.018 |
5 |
7 |
|
[WWX]C:303 |
32 |
1 |
633 |
f |
C |
x,y,z |
1_555 |
55 |
24 |
12098 |
419.5 |
-3.1 |
0.312 |
5 |
0 |
0 |
0.016 |
8 |
|
[WWX]A:303 |
35 |
1 |
620 |
f |
A |
x,y,z |
1_555 |
55 |
24 |
11984 |
412.8 |
-4.2 |
0.232 |
6 |
0 |
0 |
0.016 |
9 |
|
[WWX]D:305 |
33 |
1 |
623 |
f |
D |
x,y,z |
1_555 |
54 |
24 |
11816 |
407.4 |
-3.9 |
0.249 |
7 |
0 |
0 |
0.016 |
Average: |
413.2 |
-3.7 |
0.264 |
6 |
0 |
0 |
0.016 |
6 |
10 |
|
B |
39 |
12 |
12144 |
◊ |
A |
x-1,y,z |
1_455 |
41 |
12 |
11984 |
385.6 |
2.9 |
0.878 |
9 |
0 |
0 |
0.000 |
11 |
|
D |
35 |
13 |
11816 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
12 |
12098 |
324.8 |
4.0 |
0.909 |
9 |
1 |
0 |
0.000 |
Average: |
355.2 |
3.5 |
0.894 |
9 |
1 |
0 |
0.000 |
7 |
12 |
|
B |
32 |
10 |
12144 |
◊ |
C |
x-1,y,z |
1_455 |
38 |
12 |
12098 |
291.9 |
-0.2 |
0.628 |
2 |
0 |
0 |
0.000 |
8 |
13 |
|
D |
23 |
8 |
11816 |
◊ |
A |
x-1,y,z-1 |
1_454 |
30 |
11 |
11984 |
236.7 |
-1.4 |
0.458 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
23 |
10 |
12098 |
◊ |
A |
x,y,z |
1_555 |
28 |
10 |
11984 |
230.0 |
-1.9 |
0.320 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
B |
25 |
8 |
12144 |
x |
B |
-x,y-1/2,-z |
2_545 |
23 |
7 |
12144 |
208.7 |
-1.0 |
0.487 |
2 |
1 |
0 |
0.000 |
16 |
|
D |
23 |
7 |
11816 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
22 |
6 |
11816 |
206.7 |
-0.3 |
0.613 |
3 |
3 |
0 |
0.000 |
Average: |
207.7 |
-0.7 |
0.550 |
3 |
2 |
0 |
0.000 |
11 |
17 |
|
A |
22 |
8 |
11984 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
19 |
9 |
12144 |
180.4 |
-0.3 |
0.536 |
2 |
4 |
0 |
0.000 |
18 |
|
C |
23 |
7 |
12098 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
20 |
10 |
11816 |
175.1 |
-0.7 |
0.502 |
0 |
0 |
0 |
0.000 |
Average: |
177.7 |
-0.5 |
0.519 |
1 |
2 |
0 |
0.000 |
12 |
19 |
|
B |
12 |
5 |
12144 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
19 |
7 |
11816 |
142.0 |
-0.3 |
0.587 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
D |
19 |
5 |
11816 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
20 |
4 |
12098 |
140.7 |
-0.6 |
0.545 |
2 |
0 |
0 |
0.000 |
21 |
|
B |
20 |
5 |
12144 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
19 |
4 |
11984 |
140.4 |
-1.1 |
0.454 |
2 |
0 |
0 |
0.000 |
Average: |
140.5 |
-0.8 |
0.499 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
[EDO]B:302 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
10 |
12144 |
112.7 |
4.1 |
0.520 |
3 |
0 |
0 |
0.000 |
15 |
23 |
|
[EDO]D:302 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
11816 |
105.8 |
4.4 |
0.548 |
3 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]D:304 |
4 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
11816 |
94.2 |
2.3 |
0.255 |
2 |
0 |
0 |
0.000 |
17 |
25 |
|
[EDO]A:302 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
11984 |
94.0 |
2.2 |
0.247 |
2 |
0 |
0 |
0.000 |
18 |
26 |
|
[EDO]D:303 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
11816 |
77.6 |
1.9 |
0.290 |
4 |
0 |
0 |
0.000 |
19 |
27 |
|
[EDO]C:302 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
12098 |
75.8 |
2.0 |
0.879 |
3 |
0 |
0 |
0.000 |
20 |
28 |
|
[WWX]C:303 |
8 |
1 |
633 |
f |
[EDO]C:302 |
x,y,z |
1_555 |
4 |
1 |
182 |
45.8 |
0.1 |
0.571 |
1 |
0 |
0 |
0.000 |
21 |
29 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
11984 |
35.3 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.059 |
30 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
12144 |
34.6 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.059 |
31 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
11816 |
34.4 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.059 |
32 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
12098 |
33.9 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
34.6 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.059 |
22 |
33 |
|
[WWX]C:303 |
7 |
1 |
633 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.3 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.033 |
34 |
|
[WWX]D:305 |
7 |
1 |
623 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.033 |
35 |
|
[WWX]A:303 |
6 |
1 |
620 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
32.9 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.033 |
23 |
36 |
|
[WWX]B:303 |
5 |
1 |
656 |
cf |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.032 |
24 |
37 |
|
C |
3 |
1 |
12098 |
◊ |
[EDO]D:303 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
184 |
23.0 |
0.9 |
0.593 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
D |
1 |
1 |
11816 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11984 |
3.9 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
1 |
1 |
12098 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
12144 |
2.9 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
Average: |
3.4 |
0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[EDO]D:304 |
2 |
1 |
187 |
f |
A |
x-1,y,z-1 |
1_454 |
1 |
1 |
11984 |
2.4 |
0.1 |
0.860 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
D |
1 |
1 |
11816 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
12144 |
0.4 |
-0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
|