## |
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 |
232 |
63 |
10713 |
◊ |
A |
x,y,z |
1_555 |
244 |
65 |
10651 |
2402.3 |
-26.2 |
0.042 |
33 |
0 |
0 |
0.202 |
2 |
|
D |
229 |
63 |
10674 |
◊ |
C |
x,y,z |
1_555 |
237 |
65 |
10559 |
2393.5 |
-26.3 |
0.037 |
33 |
0 |
0 |
0.202 |
Average: |
2397.9 |
-26.2 |
0.040 |
33 |
0 |
0 |
0.202 |
2 |
3 |
|
D |
59 |
16 |
10674 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
10651 |
433.1 |
-0.5 |
0.658 |
5 |
1 |
0 |
0.000 |
3 |
4 |
|
C |
32 |
8 |
10559 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
10 |
10713 |
274.4 |
-3.3 |
0.304 |
2 |
0 |
0 |
0.000 |
5 |
|
D |
32 |
9 |
10674 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
32 |
8 |
10651 |
262.0 |
-3.1 |
0.301 |
2 |
0 |
0 |
0.000 |
Average: |
268.2 |
-3.2 |
0.303 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
30 |
9 |
10559 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
24 |
5 |
10713 |
233.8 |
-1.2 |
0.513 |
3 |
0 |
0 |
0.000 |
7 |
|
D |
24 |
6 |
10674 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
32 |
9 |
10651 |
222.4 |
-1.3 |
0.505 |
3 |
0 |
0 |
0.000 |
Average: |
228.1 |
-1.2 |
0.509 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
32 |
11 |
10674 |
◊ |
A |
x,y-1,z |
1_545 |
30 |
12 |
10651 |
229.8 |
0.1 |
0.628 |
1 |
2 |
0 |
0.000 |
6 |
9 |
|
D |
20 |
7 |
10674 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
5 |
10713 |
160.7 |
-2.3 |
0.278 |
0 |
0 |
0 |
0.000 |
10 |
|
D |
16 |
5 |
10674 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
18 |
7 |
10713 |
149.8 |
-1.7 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
155.3 |
-2.0 |
0.324 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
15 |
5 |
10559 |
◊ |
B |
x-1,y-1,z |
1_445 |
18 |
6 |
10713 |
136.6 |
2.3 |
0.853 |
5 |
2 |
0 |
0.000 |
8 |
12 |
|
C |
14 |
6 |
10559 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
10 |
4 |
10651 |
94.5 |
0.6 |
0.705 |
0 |
0 |
0 |
0.000 |
13 |
|
C |
8 |
3 |
10559 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
10651 |
84.7 |
0.4 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
89.6 |
0.5 |
0.699 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
[DIO]D:1210 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
10559 |
93.4 |
3.1 |
0.306 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[DIO]D:1210 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
10674 |
93.0 |
2.7 |
0.093 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[DIO]A:1211 |
6 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
10651 |
92.1 |
3.1 |
0.097 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[DIO]A:1211 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
10713 |
91.4 |
3.2 |
0.107 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
C |
10 |
4 |
10559 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
10713 |
83.2 |
1.8 |
0.858 |
2 |
1 |
0 |
0.000 |
14 |
19 |
|
[GXT]D:1211 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
10674 |
74.0 |
0.3 |
0.373 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GXT]A:1212 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
10651 |
70.9 |
0.8 |
0.492 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
C |
4 |
3 |
10559 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
10651 |
60.4 |
1.7 |
0.876 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[GXT]A:1213 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
10651 |
53.8 |
0.0 |
0.442 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
A |
5 |
1 |
10651 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
5 |
3 |
10651 |
50.2 |
0.9 |
0.821 |
1 |
1 |
0 |
0.000 |
19 |
24 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
10713 |
44.6 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.317 |
25 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
8 |
10674 |
44.5 |
-31.6 |
0.000 |
0 |
0 |
0 |
0.317 |
26 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
10651 |
44.4 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.317 |
27 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
10559 |
44.3 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.317 |
Average: |
44.4 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.317 |
20 |
28 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
8 |
10674 |
44.4 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.323 |
29 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
8 |
10713 |
44.0 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.323 |
30 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
8 |
10651 |
43.8 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.323 |
31 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
8 |
10559 |
43.7 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.323 |
Average: |
44.0 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.323 |
21 |
32 |
|
C |
3 |
1 |
10559 |
◊ |
[GXT]A:1213 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
184 |
41.4 |
0.1 |
0.183 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
D |
4 |
1 |
10674 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
10674 |
41.0 |
0.9 |
0.835 |
1 |
2 |
0 |
0.000 |
23 |
34 |
|
[MG]C:1210 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
10559 |
36.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.019 |
35 |
|
[MG]A:1210 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
10651 |
33.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
34.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.019 |
24 |
36 |
|
D |
4 |
3 |
10674 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
10713 |
33.9 |
1.1 |
0.869 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[MG]C:1211 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
10559 |
28.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
26 |
38 |
|
D |
7 |
2 |
10674 |
◊ |
[MG]A:1215 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
98 |
26.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
3 |
2 |
10651 |
◊ |
[MG]A:1214 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
98 |
20.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
23.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
D |
3 |
2 |
10674 |
f |
[MG]A:1214 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
24.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.014 |
28 |
41 |
|
[MG]C:1210 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
10674 |
23.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.012 |
42 |
|
[MG]A:1210 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10713 |
21.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
22.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.012 |
29 |
43 |
|
[GXT]A:1212 |
1 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
10674 |
22.7 |
0.4 |
0.733 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[MG]A:1214 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10651 |
20.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[MG]A:1215 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
10651 |
20.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.011 |
32 |
46 |
|
[MG]A:1215 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
10674 |
19.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.7 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.072 |
34 |
48 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.074 |
35 |
49 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.5 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.073 |
36 |
50 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.3 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.071 |
37 |
51 |
|
D |
4 |
1 |
10674 |
◊ |
[MG]A:1210 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
98 |
17.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[MG]C:1210 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
10713 |
15.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
16.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[MG]C:1211 |
1 |
1 |
98 |
◊ |
B |
x-1,y-1,z |
1_445 |
4 |
3 |
10713 |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
B |
1 |
1 |
10713 |
x |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
10713 |
11.1 |
0.3 |
0.849 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
D |
1 |
1 |
10674 |
f |
[GXT]A:1212 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
183 |
4.0 |
0.2 |
0.434 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[GXT]D:1211 |
1 |
1 |
183 |
f |
A |
x,y-1,z |
1_545 |
2 |
2 |
10651 |
2.5 |
0.0 |
0.401 |
0 |
0 |
0 |
0.000 |
|