## |
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 |
128 |
34 |
17035 |
◊ |
A |
x,y,z |
1_555 |
135 |
34 |
16785 |
1240.6 |
-34.9 |
0.021 |
1 |
0 |
0 |
0.468 |
2 |
2 |
|
B |
51 |
12 |
17035 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
52 |
16 |
16785 |
450.9 |
-2.7 |
0.914 |
2 |
1 |
0 |
0.000 |
3 |
3 |
|
B |
34 |
11 |
17035 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
33 |
11 |
16785 |
337.1 |
-2.9 |
0.799 |
6 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
26 |
7 |
16785 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
26 |
7 |
17035 |
304.6 |
-5.1 |
0.440 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[LMT]A:513 |
23 |
1 |
618 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
17035 |
248.0 |
2.8 |
0.420 |
0 |
0 |
0 |
0.000 |
6 |
|
[LMT]A:512 |
20 |
1 |
606 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
16785 |
240.7 |
4.3 |
0.498 |
0 |
0 |
0 |
0.000 |
Average: |
244.4 |
3.5 |
0.459 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
[LMT]B:509 |
13 |
1 |
437 |
f |
B |
x,y,z |
1_555 |
36 |
13 |
17035 |
242.7 |
3.8 |
0.310 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
[LMT]A:513 |
19 |
1 |
618 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
16785 |
222.0 |
2.9 |
0.470 |
0 |
0 |
0 |
0.000 |
9 |
|
[LMT]A:512 |
18 |
1 |
606 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
17035 |
220.3 |
2.1 |
0.381 |
0 |
0 |
0 |
0.000 |
Average: |
221.2 |
2.5 |
0.425 |
0 |
0 |
0 |
0.000 |
8 |
10 |
|
B |
14 |
5 |
17035 |
◊ |
B |
-x+1,y,-z |
2_655 |
14 |
5 |
17035 |
158.5 |
-2.9 |
0.456 |
2 |
0 |
0 |
0.000 |
9 |
11 |
|
[PEG]A:506 |
7 |
1 |
266 |
f |
A |
x,y,z |
1_555 |
34 |
13 |
16785 |
151.0 |
2.2 |
0.493 |
1 |
0 |
0 |
0.000 |
10 |
12 |
|
[PEG]A:505 |
7 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
16785 |
144.6 |
1.8 |
0.372 |
1 |
0 |
0 |
0.000 |
11 |
13 |
|
[PEG]A:507 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
16785 |
124.4 |
0.7 |
0.218 |
0 |
0 |
0 |
0.000 |
12 |
14 |
|
[PEG]B:505 |
7 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
17035 |
123.3 |
2.1 |
0.386 |
0 |
0 |
0 |
0.000 |
13 |
15 |
|
[PEG]B:507 |
7 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
17035 |
110.8 |
0.3 |
0.175 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[PEG]A:509 |
7 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
16785 |
107.0 |
1.1 |
0.263 |
0 |
0 |
0 |
0.000 |
15 |
17 |
|
[PEG]B:506 |
7 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
17035 |
103.1 |
0.7 |
0.143 |
0 |
0 |
0 |
0.000 |
16 |
18 |
|
[PEG]B:508 |
7 |
1 |
265 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
17035 |
102.7 |
1.4 |
0.313 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[PEG]A:508 |
7 |
1 |
256 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
16785 |
97.9 |
0.7 |
0.245 |
0 |
0 |
0 |
0.000 |
18 |
20 |
|
[PEG]A:510 |
7 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
16785 |
85.9 |
1.4 |
0.255 |
0 |
0 |
0 |
0.000 |
19 |
21 |
|
[PEG]A:511 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
16785 |
85.0 |
1.6 |
0.280 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[PO4]B:501 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
17035 |
83.0 |
-7.5 |
0.771 |
12 |
0 |
0 |
0.333 |
23 |
|
[PO4]A:501 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
16785 |
81.4 |
-7.5 |
0.768 |
11 |
0 |
0 |
0.333 |
Average: |
82.2 |
-7.5 |
0.770 |
12 |
0 |
0 |
0.333 |
21 |
24 |
|
[PEG]A:510 |
6 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
17035 |
72.5 |
0.4 |
0.226 |
0 |
0 |
0 |
0.000 |
22 |
25 |
|
B |
6 |
2 |
17035 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
6 |
2 |
17035 |
67.7 |
-0.8 |
0.609 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
[PEG]B:508 |
5 |
1 |
265 |
f |
[PEG]A:507 |
x,y,z |
1_555 |
5 |
1 |
261 |
57.3 |
2.4 |
0.125 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[LMT]A:513 |
6 |
1 |
618 |
f |
[LMT]A:512 |
x,y,z |
1_555 |
7 |
1 |
606 |
55.6 |
0.5 |
0.189 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[NA]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
16785 |
53.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.280 |
29 |
|
[NA]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
17035 |
53.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.280 |
Average: |
53.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.280 |
26 |
30 |
|
[PEG]B:507 |
6 |
1 |
258 |
◊ |
[PEG]A:508 |
x,y,z |
1_555 |
5 |
1 |
256 |
53.1 |
2.7 |
0.114 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[NA]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
17035 |
51.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.135 |
28 |
32 |
|
[PEG]A:510 |
6 |
1 |
255 |
◊ |
[PEG]A:509 |
x,y,z |
1_555 |
4 |
1 |
263 |
46.8 |
2.4 |
0.133 |
1 |
0 |
0 |
0.000 |
29 |
33 |
|
[PEG]A:511 |
5 |
1 |
262 |
f |
B |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
17035 |
46.7 |
0.3 |
0.180 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[PEG]B:508 |
5 |
1 |
265 |
◊ |
[PEG]B:506 |
x,y,z |
1_555 |
5 |
1 |
264 |
43.6 |
2.5 |
0.118 |
0 |
0 |
0 |
0.000 |
31 |
35 |
|
[PEG]B:508 |
3 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
16785 |
37.5 |
-0.3 |
0.122 |
0 |
0 |
0 |
0.005 |
32 |
36 |
|
[PEG]A:507 |
3 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
7 |
1 |
17035 |
36.5 |
0.8 |
0.389 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[PEG]B:507 |
3 |
1 |
258 |
◊ |
[PEG]A:509 |
x,y,z |
1_555 |
3 |
1 |
263 |
29.9 |
1.0 |
0.122 |
1 |
0 |
0 |
0.000 |
34 |
38 |
|
[PEG]A:509 |
3 |
1 |
263 |
f |
[PEG]A:508 |
x,y,z |
1_555 |
2 |
1 |
256 |
29.6 |
-0.1 |
0.092 |
1 |
0 |
0 |
0.007 |
35 |
39 |
|
[PEG]B:507 |
5 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
16785 |
28.5 |
-0.1 |
0.184 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[PEG]A:509 |
2 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
17035 |
24.6 |
0.1 |
0.248 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[PEG]B:506 |
2 |
1 |
264 |
f |
[PEG]A:508 |
x,y,z |
1_555 |
2 |
1 |
256 |
23.2 |
1.4 |
0.327 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
[NA]A:502 |
1 |
1 |
125 |
f |
[PO4]A:501 |
x,y,z |
1_555 |
3 |
1 |
186 |
21.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.088 |
43 |
|
[NA]B:502 |
1 |
1 |
125 |
f |
[PO4]B:501 |
x,y,z |
1_555 |
3 |
1 |
189 |
21.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
21.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.088 |
39 |
44 |
|
[PEG]B:507 |
2 |
1 |
258 |
◊ |
[PEG]B:506 |
x,y,z |
1_555 |
2 |
1 |
264 |
19.7 |
1.1 |
0.327 |
0 |
0 |
0 |
0.000 |
40 |
45 |
|
[NA]B:503 |
1 |
1 |
125 |
f |
[PO4]B:501 |
x,y,z |
1_555 |
3 |
1 |
189 |
18.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.072 |
46 |
|
[NA]A:503 |
1 |
1 |
125 |
f |
[PO4]A:501 |
x,y,z |
1_555 |
3 |
1 |
186 |
17.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
17.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.072 |
41 |
47 |
|
[PEG]A:508 |
2 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
17035 |
18.1 |
-0.1 |
0.223 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[PEG]B:507 |
1 |
1 |
258 |
f |
[PEG]A:510 |
x,y,z |
1_555 |
3 |
1 |
255 |
6.4 |
0.1 |
0.126 |
0 |
0 |
0 |
0.000 |
|