## |
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 |
87 |
29 |
11641 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
87 |
29 |
11641 |
839.7 |
-6.3 |
0.224 |
12 |
2 |
0 |
0.000 |
2 |
|
A |
93 |
30 |
11811 |
◊ |
A |
-x,y,-z |
2_555 |
91 |
30 |
11811 |
822.9 |
-5.9 |
0.268 |
12 |
2 |
0 |
0.000 |
Average: |
831.3 |
-6.1 |
0.246 |
12 |
2 |
0 |
0.000 |
2 |
3 |
|
B |
67 |
20 |
11641 |
◊ |
A |
x,y,z |
1_555 |
58 |
16 |
11811 |
581.1 |
0.4 |
0.653 |
6 |
2 |
0 |
0.000 |
3 |
4 |
|
B |
36 |
11 |
11641 |
x |
B |
x,y-1,z |
1_545 |
43 |
17 |
11641 |
387.3 |
1.1 |
0.645 |
4 |
3 |
0 |
0.000 |
5 |
|
A |
36 |
12 |
11811 |
x |
A |
x,y-1,z |
1_545 |
47 |
16 |
11811 |
373.0 |
0.7 |
0.641 |
3 |
2 |
0 |
0.000 |
Average: |
380.1 |
0.9 |
0.643 |
4 |
3 |
0 |
0.000 |
4 |
6 |
|
A |
35 |
9 |
11811 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
34 |
9 |
11641 |
296.8 |
3.2 |
0.822 |
7 |
2 |
0 |
0.000 |
5 |
7 |
|
B |
21 |
5 |
11641 |
◊ |
A |
x,y-1,z |
1_545 |
21 |
7 |
11811 |
197.5 |
0.6 |
0.670 |
3 |
3 |
0 |
0.000 |
6 |
8 |
|
B |
20 |
7 |
11641 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
21 |
9 |
11811 |
195.2 |
-0.7 |
0.502 |
2 |
2 |
0 |
0.000 |
7 |
9 |
|
[EPE]B:268 |
14 |
1 |
404 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
11641 |
155.0 |
4.3 |
0.044 |
1 |
0 |
0 |
0.000 |
10 |
|
[EPE]A:272 |
13 |
1 |
403 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
11811 |
145.6 |
3.6 |
0.051 |
1 |
0 |
0 |
0.000 |
Average: |
150.3 |
3.9 |
0.047 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[EDO]A:265 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
11811 |
110.6 |
3.9 |
0.608 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[EDO]A:267 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
11811 |
109.9 |
3.8 |
0.484 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]B:266 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
11641 |
108.3 |
2.7 |
0.313 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:270 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
11811 |
102.6 |
2.6 |
0.323 |
1 |
0 |
0 |
0.000 |
Average: |
105.5 |
2.6 |
0.318 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]B:265 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
11641 |
107.8 |
3.3 |
0.429 |
3 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]A:264 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
11811 |
101.2 |
2.5 |
0.414 |
4 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]B:264 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11641 |
95.0 |
2.5 |
0.258 |
2 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]A:266 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
11811 |
90.4 |
3.2 |
0.319 |
2 |
0 |
0 |
0.000 |
15 |
19 |
|
[EPE]B:268 |
8 |
1 |
404 |
f |
B |
-x+1,y,-z+1 |
2_656 |
15 |
7 |
11641 |
88.3 |
1.0 |
0.044 |
1 |
0 |
0 |
0.000 |
20 |
|
[EPE]A:272 |
8 |
1 |
403 |
f |
A |
-x,y,-z |
2_555 |
14 |
7 |
11811 |
81.7 |
0.8 |
0.040 |
1 |
0 |
0 |
0.000 |
Average: |
85.0 |
0.9 |
0.042 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
A |
14 |
5 |
11811 |
◊ |
[EDO]A:269 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
87.1 |
2.4 |
0.351 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]A:268 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
11811 |
86.9 |
2.2 |
0.446 |
2 |
0 |
0 |
0.000 |
18 |
23 |
|
B |
13 |
5 |
11641 |
◊ |
[EDO]B:267 |
x,y-1,z |
1_545 |
4 |
1 |
184 |
86.8 |
2.3 |
0.308 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]A:271 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
11641 |
85.8 |
2.5 |
0.413 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]A:271 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
11811 |
68.6 |
1.2 |
0.687 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]A:266 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11641 |
64.8 |
1.2 |
0.679 |
1 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]B:267 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11641 |
62.8 |
1.9 |
0.904 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]A:269 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11811 |
62.0 |
1.3 |
0.817 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[EDO]A:268 |
4 |
1 |
185 |
f |
A |
-x,y,-z |
2_555 |
8 |
4 |
11811 |
52.8 |
0.9 |
0.646 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
[ZN]A:263 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
11811 |
44.7 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.045 |
31 |
|
[ZN]B:263 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
11641 |
44.3 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
44.5 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.045 |
26 |
32 |
|
[ZN]A:262 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
11811 |
43.9 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.046 |
33 |
|
[ZN]B:262 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
11641 |
43.6 |
-32.0 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
43.7 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.046 |
27 |
34 |
|
[EPE]A:272 |
4 |
1 |
403 |
◊ |
[EPE]A:272 |
-x,y,-z |
2_555 |
4 |
1 |
403 |
40.2 |
0.6 |
0.009 |
0 |
0 |
0 |
0.000 |
35 |
|
[EPE]B:268 |
4 |
1 |
404 |
◊ |
[EPE]B:268 |
-x+1,y,-z+1 |
2_656 |
4 |
1 |
404 |
37.4 |
0.6 |
0.008 |
0 |
0 |
0 |
0.000 |
Average: |
38.8 |
0.6 |
0.009 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[EDO]A:270 |
2 |
1 |
184 |
◊ |
[EDO]A:268 |
-x,y,-z |
2_555 |
4 |
1 |
185 |
23.6 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[EDO]B:265 |
1 |
1 |
183 |
f |
[EDO]B:264 |
x,y,z |
1_555 |
2 |
1 |
184 |
19.3 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[ZN]B:263 |
1 |
1 |
98 |
f |
[ZN]B:262 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.020 |
31 |
39 |
|
[ZN]A:263 |
1 |
1 |
98 |
f |
[ZN]A:262 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.1 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.019 |
32 |
40 |
|
[EDO]B:266 |
1 |
1 |
184 |
f |
B |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
11641 |
15.6 |
0.3 |
0.835 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:270 |
1 |
1 |
184 |
f |
A |
-x,y,-z |
2_555 |
3 |
1 |
11811 |
15.4 |
0.3 |
0.835 |
0 |
0 |
0 |
0.000 |
Average: |
15.5 |
0.3 |
0.835 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
B |
3 |
1 |
11641 |
◊ |
[EDO]A:267 |
x,y-1,z |
1_545 |
3 |
1 |
185 |
11.2 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[EDO]A:267 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11641 |
0.1 |
0.0 |
0.815 |
0 |
0 |
0 |
0.000 |
|