## |
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 |
56 |
16 |
9713 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
9746 |
565.7 |
-2.4 |
0.441 |
12 |
0 |
0 |
0.000 |
2 |
2 |
|
B |
38 |
10 |
9713 |
◊ |
A |
-x,y,-z+2 |
2_557 |
41 |
10 |
9746 |
383.7 |
-0.1 |
0.634 |
8 |
2 |
0 |
0.000 |
3 |
3 |
|
A |
24 |
7 |
9746 |
x |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
31 |
11 |
9746 |
240.8 |
-1.6 |
0.421 |
2 |
2 |
0 |
0.000 |
4 |
|
B |
26 |
10 |
9713 |
x |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
22 |
7 |
9713 |
222.8 |
-0.6 |
0.593 |
2 |
0 |
0 |
0.000 |
Average: |
231.8 |
-1.1 |
0.507 |
2 |
1 |
0 |
0.000 |
4 |
5 |
|
[S3C]B:506 |
15 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
49 |
14 |
9713 |
240.6 |
-14.6 |
0.401 |
3 |
0 |
0 |
0.015 |
6 |
|
[S3C]A:506 |
15 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
43 |
14 |
9746 |
239.3 |
-16.2 |
0.203 |
3 |
0 |
0 |
0.015 |
Average: |
240.0 |
-15.4 |
0.302 |
3 |
0 |
0 |
0.015 |
5 |
7 |
|
B |
20 |
8 |
9713 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
24 |
7 |
9746 |
162.9 |
-0.1 |
0.591 |
1 |
0 |
0 |
0.000 |
8 |
|
A |
11 |
4 |
9746 |
◊ |
B |
x-1/2,y+1/2,z-1 |
3_454 |
13 |
5 |
9713 |
108.0 |
0.9 |
0.745 |
3 |
0 |
0 |
0.000 |
Average: |
135.4 |
0.4 |
0.668 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
A |
16 |
5 |
9746 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
4 |
9713 |
128.9 |
-1.6 |
0.295 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
[DMS]A:507 |
4 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
9746 |
116.1 |
2.0 |
0.447 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[DMS]B:507 |
4 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
9713 |
115.2 |
1.7 |
0.447 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[DMS]A:508 |
4 |
1 |
211 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
9746 |
111.4 |
2.1 |
0.382 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[DMS]B:508 |
4 |
1 |
208 |
f |
B |
x,y,z |
1_555 |
23 |
6 |
9713 |
109.9 |
1.5 |
0.389 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
B |
6 |
2 |
9713 |
◊ |
A |
-x+1/2,y-1/2,-z+3 |
4_548 |
10 |
4 |
9746 |
74.5 |
2.3 |
0.870 |
3 |
0 |
0 |
0.000 |
12 |
15 |
|
B |
7 |
4 |
9713 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
10 |
2 |
9746 |
63.3 |
0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[CL]B:509 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
9713 |
54.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.006 |
14 |
17 |
|
[FMT]B:504 |
3 |
1 |
149 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
11 |
4 |
9713 |
53.6 |
0.0 |
0.661 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
[FMT]B:505 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
9713 |
52.6 |
-0.2 |
0.363 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
A |
10 |
4 |
9746 |
◊ |
[FMT]A:505 |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
149 |
52.4 |
0.1 |
0.661 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[FMT]A:504 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9746 |
50.4 |
-0.1 |
0.584 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
B |
14 |
6 |
9713 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
14 |
4 |
9746 |
50.0 |
0.4 |
0.674 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[DMS]A:508 |
3 |
1 |
211 |
f |
[S3C]A:506 |
x,y,z |
1_555 |
12 |
1 |
398 |
46.1 |
-0.6 |
0.442 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[CL]B:509 |
1 |
1 |
125 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
7 |
5 |
9746 |
45.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
[FMT]B:505 |
3 |
1 |
149 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
10 |
5 |
9713 |
44.2 |
-0.2 |
0.400 |
2 |
0 |
0 |
0.000 |
22 |
25 |
|
[DMS]B:508 |
3 |
1 |
208 |
f |
[S3C]B:506 |
x,y,z |
1_555 |
12 |
1 |
397 |
43.5 |
0.1 |
0.624 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
A |
10 |
5 |
9746 |
◊ |
[FMT]A:504 |
-x+1/2,y-1/2,-z+2 |
4_547 |
2 |
1 |
149 |
43.0 |
-0.2 |
0.598 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[DMS]B:507 |
3 |
1 |
209 |
f |
[S3C]B:506 |
x,y,z |
1_555 |
6 |
1 |
397 |
39.4 |
0.3 |
0.421 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[FMT]A:505 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9746 |
37.3 |
0.0 |
0.511 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[DMS]A:507 |
3 |
1 |
211 |
f |
[S3C]A:506 |
x,y,z |
1_555 |
6 |
1 |
398 |
37.1 |
-0.1 |
0.416 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[FMT]B:504 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
9713 |
36.6 |
-0.0 |
0.531 |
1 |
0 |
0 |
0.000 |
28 |
31 |
|
[DMS]B:508 |
3 |
1 |
208 |
f |
[DMS]B:507 |
x,y,z |
1_555 |
2 |
1 |
209 |
33.2 |
1.2 |
0.390 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
[DMS]A:508 |
3 |
1 |
211 |
f |
[DMS]A:507 |
x,y,z |
1_555 |
2 |
1 |
211 |
32.7 |
1.1 |
0.390 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9746 |
32.0 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.019 |
34 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9713 |
31.5 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
31.7 |
-22.3 |
0.000 |
0 |
0 |
0 |
0.019 |
31 |
35 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
9746 |
31.1 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.017 |
36 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
9713 |
30.9 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
31.0 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.017 |
32 |
37 |
|
[S3C]A:506 |
6 |
1 |
398 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.011 |
38 |
|
[S3C]B:506 |
6 |
1 |
397 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
27.7 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.011 |
33 |
39 |
|
[S3C]A:506 |
4 |
1 |
398 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.011 |
40 |
|
[S3C]B:506 |
4 |
1 |
397 |
f |
[ZN]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.8 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
27.2 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.011 |
34 |
41 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
9746 |
23.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.009 |
42 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9713 |
23.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
23.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.009 |
35 |
43 |
|
[ZN]B:503 |
1 |
1 |
98 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
7 |
3 |
9713 |
23.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
8 |
4 |
9746 |
◊ |
[ZN]A:503 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
98 |
23.3 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
23.4 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[FMT]A:505 |
3 |
1 |
149 |
f |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.013 |
46 |
|
[FMT]A:504 |
3 |
1 |
149 |
cf |
[ZN]A:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
20.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.013 |
37 |
47 |
|
[FMT]B:504 |
3 |
1 |
149 |
f |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.1 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.013 |
48 |
|
[FMT]B:505 |
3 |
1 |
149 |
f |
[ZN]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
20.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.013 |
38 |
49 |
|
[FMT]A:505 |
3 |
1 |
149 |
f |
[FMT]A:504 |
x,y,z |
1_555 |
3 |
1 |
149 |
18.4 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
39 |
50 |
|
[FMT]B:505 |
3 |
1 |
149 |
f |
[FMT]B:504 |
x,y,z |
1_555 |
3 |
1 |
149 |
17.1 |
0.3 |
0.704 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
A |
4 |
2 |
9746 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
4 |
2 |
9746 |
16.9 |
-0.2 |
0.497 |
0 |
0 |
0 |
0.000 |
41 |
52 |
|
[DMS]A:507 |
2 |
1 |
211 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
9713 |
9.3 |
0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
42 |
53 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.006 |
43 |
54 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.006 |
44 |
55 |
|
B |
3 |
2 |
9713 |
◊ |
B |
-x+1,y,-z+3 |
2_658 |
3 |
2 |
9713 |
8.9 |
-0.1 |
0.518 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
[DMS]B:507 |
1 |
1 |
209 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
9746 |
7.8 |
0.0 |
0.364 |
0 |
0 |
0 |
0.000 |
46 |
57 |
|
[DMS]B:507 |
2 |
1 |
209 |
f |
[ZN]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.002 |
58 |
|
[DMS]A:507 |
2 |
1 |
211 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
6.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.002 |
47 |
59 |
|
A |
1 |
1 |
9746 |
◊ |
A |
-x,y,-z+2 |
2_557 |
1 |
1 |
9746 |
4.7 |
0.1 |
0.773 |
0 |
0 |
0 |
0.000 |
|