## |
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 |
|
A |
226 |
59 |
15534 |
x |
A |
-y,x-y-1,z |
2_545 |
232 |
70 |
15534 |
2189.7 |
-18.3 |
0.222 |
32 |
15 |
0 |
0.296 |
2 |
|
B |
229 |
58 |
15619 |
x |
B |
-y+1,x-y,z |
2_655 |
237 |
70 |
15619 |
2182.5 |
-17.7 |
0.221 |
30 |
14 |
0 |
0.296 |
Average: |
2186.1 |
-18.0 |
0.222 |
31 |
15 |
0 |
0.296 |
2 |
3 |
|
[PG4]A:1344 |
12 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
25 |
11 |
15534 |
187.0 |
3.3 |
0.264 |
3 |
0 |
0 |
0.000 |
4 |
|
[PG4]B:1347 |
12 |
1 |
412 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
15619 |
184.3 |
4.1 |
0.272 |
3 |
0 |
0 |
0.000 |
Average: |
185.7 |
3.7 |
0.268 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
[MES]B:1339 |
10 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
15619 |
162.1 |
4.9 |
0.394 |
0 |
0 |
0 |
0.000 |
6 |
|
[MES]A:1343 |
11 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
15534 |
156.5 |
4.8 |
0.288 |
0 |
0 |
0 |
0.000 |
Average: |
159.3 |
4.9 |
0.341 |
0 |
0 |
0 |
0.000 |
4 |
7 |
|
[MES]B:1346 |
9 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
15619 |
160.2 |
4.2 |
0.306 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
[PEG]B:1343 |
7 |
1 |
266 |
f |
B |
x,y,z |
1_555 |
27 |
9 |
15619 |
159.9 |
3.4 |
0.439 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
[MES]A:1342 |
10 |
1 |
337 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
15534 |
158.6 |
4.0 |
0.237 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[PEG]B:1342 |
7 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15619 |
129.5 |
2.2 |
0.262 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[PEG]A:1347 |
7 |
1 |
247 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
15534 |
127.7 |
3.0 |
0.386 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[PEG]A:1346 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
15534 |
123.2 |
4.0 |
0.422 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
19 |
8 |
15619 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
15534 |
118.5 |
0.5 |
0.720 |
0 |
2 |
0 |
0.000 |
14 |
|
B |
14 |
7 |
15619 |
◊ |
A |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
17 |
8 |
15534 |
116.1 |
0.2 |
0.678 |
1 |
2 |
0 |
0.000 |
Average: |
117.3 |
0.3 |
0.699 |
1 |
2 |
0 |
0.000 |
11 |
15 |
|
[PEG]B:1345 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
15619 |
108.0 |
1.2 |
0.196 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
[PEG]A:1340 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
15534 |
106.3 |
1.6 |
0.222 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[PEG]B:1341 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
15619 |
87.9 |
1.8 |
0.268 |
1 |
0 |
0 |
0.000 |
14 |
18 |
|
[PG4]B:1347 |
6 |
1 |
412 |
f |
B |
-y+1,x-y,z |
2_655 |
6 |
3 |
15619 |
69.0 |
1.8 |
0.355 |
1 |
0 |
0 |
0.000 |
19 |
|
[PG4]A:1344 |
6 |
1 |
411 |
f |
A |
-y,x-y-1,z |
2_545 |
6 |
3 |
15534 |
65.5 |
1.7 |
0.346 |
1 |
0 |
0 |
0.000 |
Average: |
67.3 |
1.7 |
0.351 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
B |
4 |
2 |
15619 |
◊ |
[PEG]A:1347 |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
5 |
1 |
247 |
56.0 |
0.7 |
0.152 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[ZN]A:1345 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15534 |
50.5 |
-28.0 |
0.000 |
0 |
0 |
0 |
0.256 |
22 |
|
[ZN]B:1348 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15619 |
49.6 |
-29.2 |
0.000 |
0 |
0 |
0 |
0.256 |
Average: |
50.0 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.256 |
17 |
23 |
|
[CU]B:1340 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15619 |
43.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.061 |
24 |
|
[CU]A:1338 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15534 |
39.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
41.7 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.061 |
18 |
25 |
|
B |
9 |
4 |
15619 |
◊ |
[CU]B:1340 |
-y+1,x-y,z |
2_655 |
1 |
1 |
125 |
41.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.050 |
26 |
|
A |
10 |
4 |
15534 |
◊ |
[CU]A:1338 |
-y,x-y-1,z |
2_545 |
1 |
1 |
125 |
40.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.050 |
Average: |
41.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.050 |
19 |
27 |
|
[ZN]B:1344 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
15619 |
38.8 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
|
[ZN]A:1341 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
15534 |
37.9 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
38.3 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[MES]A:1343 |
3 |
1 |
338 |
f |
[PEG]A:1347 |
x,y,z |
1_555 |
2 |
1 |
247 |
33.0 |
0.4 |
0.126 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
B |
4 |
2 |
15619 |
cf |
[ZN]A:1341 |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
1 |
1 |
98 |
32.7 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.120 |
31 |
|
[ZN]B:1344 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
15534 |
32.6 |
-13.9 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
32.7 |
-13.8 |
0.000 |
0 |
0 |
0 |
0.120 |
22 |
32 |
|
[ZN]A:1339 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
6 |
4 |
15534 |
24.5 |
-15.1 |
0.000 |
0 |
0 |
0 |
0.128 |
33 |
|
[ZN]B:1338 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
8 |
5 |
15619 |
23.6 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
24.1 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.128 |
23 |
34 |
|
[ZN]A:1339 |
1 |
1 |
98 |
f |
[CU]A:1338 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.4 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.130 |
24 |
35 |
|
[MES]A:1342 |
4 |
1 |
337 |
f |
A |
-y,x-y-1,z |
2_545 |
2 |
1 |
15534 |
24.2 |
1.1 |
0.242 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
A |
8 |
4 |
15534 |
◊ |
[ZN]A:1339 |
-y,x-y-1,z |
2_545 |
1 |
1 |
98 |
24.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.092 |
37 |
|
B |
9 |
4 |
15619 |
◊ |
[ZN]B:1338 |
-y+1,x-y,z |
2_655 |
1 |
1 |
98 |
23.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
23.6 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.092 |
26 |
38 |
|
[MES]B:1346 |
4 |
1 |
338 |
f |
B |
-y+1,x-y,z |
2_655 |
2 |
1 |
15619 |
23.0 |
1.0 |
0.242 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[ZN]B:1338 |
1 |
1 |
98 |
f |
[CU]B:1340 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.8 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.143 |
28 |
40 |
|
B |
3 |
1 |
15619 |
x |
B |
-y+1,x-y-1,z |
2_645 |
2 |
1 |
15619 |
20.2 |
-0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
41 |
|
A |
4 |
2 |
15534 |
x |
A |
-y-1,x-y-1,z |
2_445 |
2 |
1 |
15534 |
6.9 |
-0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
Average: |
13.5 |
-0.2 |
0.522 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[MES]B:1339 |
4 |
1 |
338 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15534 |
19.9 |
0.3 |
0.110 |
0 |
0 |
0 |
0.000 |
43 |
|
B |
3 |
2 |
15619 |
◊ |
[MES]A:1343 |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
4 |
1 |
338 |
16.9 |
0.2 |
0.123 |
0 |
0 |
0 |
0.000 |
Average: |
18.4 |
0.2 |
0.117 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[MES]A:1343 |
2 |
1 |
338 |
◊ |
[ZN]A:1341 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
|
[MES]B:1339 |
2 |
1 |
338 |
◊ |
[ZN]B:1344 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
4.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[PEG]B:1345 |
1 |
1 |
261 |
f |
[MES]A:1343 |
-x+y+2/3,-x+1/3,z+1/3 |
6_555 |
3 |
1 |
338 |
3.6 |
0.1 |
0.096 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
[MES]B:1339 |
3 |
1 |
338 |
f |
[PEG]A:1340 |
x,y,z |
1_555 |
1 |
1 |
259 |
3.2 |
-0.1 |
0.088 |
0 |
0 |
0 |
0.100 |
|