## |
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 |
59 |
22 |
15414 |
◊ |
A |
x-y,-y,-z+8/3 |
5_557 |
59 |
22 |
15414 |
596.2 |
-4.7 |
0.208 |
2 |
4 |
0 |
0.000 |
2 |
2 |
|
A |
56 |
22 |
15414 |
x |
A |
-y,x-y-1,z+1/3 |
2_545 |
55 |
22 |
15414 |
511.1 |
-2.1 |
0.329 |
3 |
6 |
0 |
0.000 |
3 |
3 |
|
[NAG]A:506 |
11 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
24 |
9 |
15414 |
159.9 |
4.3 |
0.471 |
0 |
0 |
0 |
0.000 |
4 |
4 |
|
[NAG]A:504 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
15414 |
127.5 |
3.3 |
0.329 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[NAG]A:503 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
15414 |
110.7 |
2.8 |
0.327 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[NAG]A:509 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
16 |
5 |
15414 |
104.5 |
2.5 |
0.328 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
[IOD]A:515 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15414 |
94.3 |
0.3 |
0.765 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
[IOD]A:532 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
15414 |
90.2 |
-0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[IOD]A:521 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
15414 |
88.4 |
-0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[IOD]A:517 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15414 |
85.4 |
-0.0 |
0.682 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[IOD]A:529 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15414 |
80.3 |
0.6 |
0.844 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[IOD]A:514 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15414 |
80.2 |
-0.2 |
0.634 |
0 |
0 |
0 |
0.001 |
13 |
13 |
|
[IOD]A:523 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
15414 |
78.2 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[IOD]A:528 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
15414 |
78.1 |
-0.4 |
0.543 |
0 |
0 |
0 |
0.002 |
15 |
15 |
|
[NAG]A:507 |
8 |
1 |
361 |
cf |
[NAG]A:506 |
x,y,z |
1_555 |
7 |
1 |
365 |
74.0 |
1.7 |
0.091 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[IOD]A:534 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
15414 |
72.6 |
-0.8 |
0.275 |
0 |
0 |
0 |
0.004 |
17 |
17 |
|
[NAG]A:505 |
9 |
1 |
363 |
cf |
[NAG]A:504 |
x,y,z |
1_555 |
7 |
1 |
361 |
72.6 |
1.4 |
0.074 |
0 |
0 |
0 |
0.000 |
18 |
|
[NAG]A:510 |
9 |
1 |
365 |
cf |
[NAG]A:509 |
x,y,z |
1_555 |
7 |
1 |
361 |
71.5 |
1.3 |
0.083 |
0 |
0 |
0 |
0.000 |
Average: |
72.1 |
1.3 |
0.078 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[IOD]A:518 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
15414 |
71.5 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
19 |
20 |
|
[IOD]A:520 |
1 |
1 |
144 |
◊ |
A |
x-y,-y,-z+8/3 |
5_557 |
16 |
5 |
15414 |
70.8 |
1.0 |
0.904 |
0 |
0 |
0 |
0.000 |
21 |
|
[IOD]A:525 |
1 |
1 |
144 |
◊ |
A |
x-y,-y,-z+8/3 |
5_557 |
13 |
4 |
15414 |
59.2 |
0.6 |
0.863 |
0 |
0 |
0 |
0.000 |
Average: |
65.0 |
0.8 |
0.884 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[IOD]A:516 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15414 |
70.7 |
-0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
21 |
23 |
|
[IOD]A:512 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15414 |
69.3 |
-0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[IOD]A:522 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
15414 |
67.0 |
-0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[IOD]A:519 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15414 |
66.1 |
0.0 |
0.694 |
0 |
0 |
0 |
0.000 |
24 |
26 |
|
[IOD]A:536 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
15414 |
65.9 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
25 |
27 |
|
[IOD]A:526 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
15414 |
65.8 |
-0.3 |
0.623 |
0 |
0 |
0 |
0.001 |
26 |
28 |
|
[NA]A:511 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
15414 |
65.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.050 |
27 |
29 |
|
[IOD]A:530 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15414 |
64.7 |
0.5 |
0.850 |
0 |
0 |
0 |
0.000 |
28 |
30 |
|
[IOD]A:513 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15414 |
62.9 |
-0.0 |
0.708 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[FUC]A:508 |
6 |
1 |
283 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15414 |
62.6 |
2.1 |
0.431 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[IOD]A:531 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
15414 |
62.3 |
0.0 |
0.723 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[IOD]A:535 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15414 |
59.9 |
-0.2 |
0.643 |
0 |
0 |
0 |
0.001 |
32 |
34 |
|
[FUC]A:508 |
6 |
1 |
283 |
cf |
[NAG]A:509 |
x,y,z |
1_555 |
5 |
1 |
361 |
57.8 |
2.6 |
0.221 |
0 |
0 |
0 |
0.000 |
33 |
35 |
|
[IOD]A:527 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15414 |
57.4 |
-0.3 |
0.588 |
0 |
0 |
0 |
0.001 |
34 |
36 |
|
[IOD]A:524 |
1 |
1 |
144 |
f |
A |
-y,x-y-1,z+1/3 |
2_545 |
13 |
3 |
15414 |
56.9 |
-0.5 |
0.567 |
0 |
0 |
0 |
0.003 |
35 |
37 |
|
[IOD]A:534 |
1 |
1 |
144 |
◊ |
A |
x-y,-y,-z+8/3 |
5_557 |
8 |
3 |
15414 |
51.0 |
-0.3 |
0.565 |
0 |
0 |
0 |
0.000 |
36 |
38 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
15414 |
48.9 |
-33.6 |
0.000 |
0 |
0 |
0 |
0.174 |
37 |
39 |
|
[IOD]A:524 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15414 |
48.9 |
-0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
38 |
40 |
|
[NAG]A:505 |
3 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15414 |
47.4 |
0.9 |
0.446 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[IOD]A:533 |
1 |
1 |
144 |
f |
[NAG]A:507 |
x,y,z |
1_555 |
6 |
1 |
361 |
43.7 |
1.1 |
0.409 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[FUC]A:508 |
4 |
1 |
283 |
f |
[NAG]A:510 |
x,y,z |
1_555 |
7 |
1 |
365 |
43.0 |
2.3 |
0.233 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[NAG]A:505 |
5 |
1 |
363 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
4 |
1 |
361 |
41.3 |
2.4 |
0.326 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[IOD]A:520 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
15414 |
40.2 |
0.5 |
0.874 |
0 |
0 |
0 |
0.000 |
45 |
|
[IOD]A:525 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15414 |
39.0 |
-0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
Average: |
39.6 |
0.2 |
0.782 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
[IOD]A:533 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15414 |
33.7 |
-0.2 |
0.626 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[IOD]A:527 |
1 |
1 |
144 |
f |
[NAG]A:507 |
x,y,z |
1_555 |
6 |
1 |
361 |
31.3 |
1.0 |
0.377 |
0 |
0 |
0 |
0.000 |
45 |
48 |
|
[IOD]A:513 |
1 |
1 |
144 |
f |
[NAG]A:509 |
x,y,z |
1_555 |
5 |
1 |
361 |
31.2 |
0.9 |
0.484 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[IOD]A:533 |
1 |
1 |
144 |
f |
[NAG]A:506 |
x,y,z |
1_555 |
4 |
1 |
365 |
28.6 |
0.7 |
0.481 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[IOD]A:516 |
1 |
1 |
144 |
f |
A |
x-y,-y,-z+8/3 |
5_557 |
5 |
2 |
15414 |
26.5 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.001 |
48 |
51 |
|
[IOD]A:533 |
1 |
1 |
144 |
f |
[IOD]A:527 |
x,y,z |
1_555 |
1 |
1 |
144 |
23.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[NAG]A:510 |
3 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15414 |
23.4 |
0.3 |
0.147 |
0 |
0 |
0 |
0.000 |
50 |
53 |
|
[IOD]A:516 |
1 |
1 |
144 |
◊ |
[NAG]A:503 |
x,y,z |
1_555 |
5 |
1 |
361 |
23.1 |
-0.1 |
0.254 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[NAG]A:504 |
3 |
1 |
361 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
3 |
1 |
361 |
23.0 |
0.9 |
0.231 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
[IOD]A:525 |
1 |
1 |
144 |
f |
[IOD]A:520 |
x,y,z |
1_555 |
1 |
1 |
144 |
22.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
[IOD]A:519 |
1 |
1 |
144 |
f |
[NAG]A:506 |
x,y,z |
1_555 |
1 |
1 |
365 |
21.4 |
0.8 |
0.886 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
[IOD]A:527 |
1 |
1 |
144 |
f |
[NAG]A:506 |
x,y,z |
1_555 |
3 |
1 |
365 |
18.4 |
0.6 |
0.490 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[IOD]A:525 |
1 |
1 |
144 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
1 |
1 |
361 |
13.3 |
0.5 |
0.886 |
0 |
0 |
0 |
0.000 |
56 |
59 |
|
[NA]A:511 |
1 |
1 |
125 |
◊ |
A |
-y,x-y-1,z+1/3 |
2_545 |
1 |
1 |
15414 |
12.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
[NAG]A:507 |
1 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
15414 |
11.9 |
0.5 |
0.719 |
0 |
0 |
0 |
0.000 |
58 |
61 |
|
[IOD]A:523 |
1 |
1 |
144 |
f |
[NAG]A:505 |
x,y,z |
1_555 |
1 |
1 |
363 |
11.4 |
0.4 |
0.802 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.3 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.039 |
60 |
63 |
|
[IOD]A:532 |
1 |
1 |
144 |
f |
[ZN]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.012 |
61 |
64 |
|
[NAG]A:509 |
1 |
1 |
361 |
◊ |
[NAG]A:509 |
x-y,-y,-z+8/3 |
5_557 |
1 |
1 |
361 |
3.3 |
0.2 |
0.357 |
0 |
0 |
0 |
0.000 |
|