## |
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 |
|
F |
96 |
28 |
10460 |
◊ |
B |
x,y,z |
1_555 |
110 |
28 |
25576 |
924.2 |
-2.7 |
0.661 |
14 |
0 |
0 |
0.000 |
2 |
2 |
|
E |
91 |
29 |
10242 |
◊ |
A |
x,y,z |
1_555 |
102 |
27 |
25823 |
883.5 |
-3.0 |
0.602 |
16 |
0 |
0 |
0.000 |
3 |
3 |
|
E |
70 |
20 |
10242 |
◊ |
B |
-x+2,y-1/2,-z+3 |
2_748 |
70 |
21 |
25576 |
605.4 |
-1.4 |
0.646 |
7 |
4 |
0 |
0.000 |
4 |
4 |
|
B |
49 |
14 |
25576 |
◊ |
A |
x-1,y,z |
1_455 |
49 |
16 |
25823 |
406.2 |
-4.4 |
0.222 |
4 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
32 |
12 |
25823 |
◊ |
F |
-x+3,y-1/2,-z+2 |
2_847 |
32 |
16 |
10460 |
277.3 |
6.3 |
0.986 |
7 |
7 |
0 |
0.000 |
6 |
6 |
|
E |
28 |
10 |
10242 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
25823 |
214.2 |
-1.4 |
0.475 |
3 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
24 |
8 |
25576 |
◊ |
F |
x-1,y,z |
1_455 |
19 |
7 |
10460 |
209.9 |
-1.2 |
0.495 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
B |
23 |
8 |
25576 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
25823 |
159.6 |
2.3 |
0.884 |
3 |
4 |
0 |
0.000 |
9 |
9 |
|
[NAG]E:601 |
9 |
1 |
358 |
cf |
E |
x,y,z |
1_555 |
14 |
6 |
10242 |
143.2 |
3.9 |
0.526 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[NAG]F:601 |
9 |
1 |
356 |
cf |
F |
x,y,z |
1_555 |
12 |
6 |
10460 |
138.9 |
3.8 |
0.517 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[NAG]B:708 |
10 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
18 |
6 |
25576 |
135.8 |
3.6 |
0.446 |
0 |
0 |
0 |
0.000 |
12 |
12 |
|
[NAG]A:714 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
19 |
8 |
25823 |
131.2 |
3.1 |
0.409 |
0 |
0 |
0 |
0.000 |
13 |
13 |
|
[NAG]A:707 |
10 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
14 |
7 |
25823 |
130.1 |
2.4 |
0.327 |
0 |
0 |
0 |
0.000 |
14 |
14 |
|
[NAG]A:710 |
9 |
1 |
357 |
cf |
A |
x,y,z |
1_555 |
18 |
5 |
25823 |
127.3 |
4.1 |
0.528 |
2 |
0 |
0 |
0.000 |
15 |
15 |
|
[NAG]B:715 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
19 |
6 |
25576 |
120.9 |
3.4 |
0.394 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[NAG]B:714 |
8 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
15 |
5 |
25576 |
117.5 |
3.9 |
0.589 |
0 |
0 |
0 |
0.000 |
17 |
17 |
|
[EDO]B:705 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
12 |
25576 |
116.0 |
5.8 |
0.841 |
6 |
0 |
0 |
0.000 |
18 |
18 |
|
[NAG]B:701 |
10 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
19 |
6 |
25576 |
107.6 |
3.0 |
0.386 |
2 |
0 |
0 |
0.000 |
19 |
19 |
|
[EDO]B:706 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
25576 |
105.9 |
3.0 |
0.471 |
1 |
0 |
0 |
0.000 |
20 |
20 |
|
[NAG]B:712 |
9 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
11 |
6 |
25576 |
102.3 |
3.1 |
0.443 |
0 |
0 |
0 |
0.000 |
21 |
21 |
|
[NAG]A:712 |
9 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
12 |
6 |
25823 |
101.4 |
2.9 |
0.388 |
1 |
0 |
0 |
0.000 |
22 |
22 |
|
[EDO]B:707 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
25576 |
98.3 |
3.0 |
0.511 |
3 |
0 |
0 |
0.000 |
23 |
23 |
|
[NAG]A:701 |
10 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
16 |
6 |
25823 |
95.7 |
2.5 |
0.355 |
1 |
0 |
0 |
0.000 |
24 |
24 |
|
[EDO]A:706 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
25823 |
92.1 |
3.0 |
0.314 |
3 |
0 |
0 |
0.000 |
25 |
25 |
|
[CL]B:704 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
25576 |
79.2 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.211 |
26 |
|
[CL]A:705 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
25823 |
77.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.211 |
Average: |
78.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.211 |
26 |
27 |
|
[NAG]F:602 |
10 |
1 |
350 |
cf |
[NAG]F:601 |
x,y,z |
1_555 |
6 |
1 |
356 |
73.9 |
1.9 |
0.088 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[NAG]A:713 |
9 |
1 |
352 |
cf |
[NAG]A:712 |
x,y,z |
1_555 |
7 |
1 |
363 |
72.5 |
2.4 |
0.105 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[NAG]E:602 |
8 |
1 |
361 |
cf |
[NAG]E:601 |
x,y,z |
1_555 |
5 |
1 |
358 |
72.5 |
1.9 |
0.138 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]B:713 |
9 |
1 |
358 |
cf |
[NAG]B:712 |
x,y,z |
1_555 |
6 |
1 |
363 |
72.2 |
1.8 |
0.096 |
0 |
0 |
0 |
0.000 |
Average: |
72.3 |
1.8 |
0.117 |
0 |
0 |
0 |
0.000 |
29 |
31 |
|
[NAG]B:709 |
8 |
1 |
364 |
cf |
[NAG]B:708 |
x,y,z |
1_555 |
7 |
1 |
362 |
71.3 |
1.7 |
0.098 |
1 |
0 |
0 |
0.000 |
32 |
|
[NAG]A:702 |
8 |
1 |
362 |
cf |
[NAG]A:701 |
x,y,z |
1_555 |
6 |
1 |
361 |
68.3 |
1.4 |
0.106 |
0 |
0 |
0 |
0.000 |
Average: |
69.8 |
1.6 |
0.102 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
[NAG]A:711 |
8 |
1 |
352 |
cf |
[NAG]A:710 |
x,y,z |
1_555 |
7 |
1 |
357 |
69.4 |
2.2 |
0.109 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[NAG]B:702 |
8 |
1 |
360 |
cf |
[NAG]B:701 |
x,y,z |
1_555 |
6 |
1 |
362 |
69.1 |
1.4 |
0.109 |
1 |
0 |
0 |
0.000 |
32 |
35 |
|
[NAG]A:708 |
10 |
1 |
361 |
cf |
[NAG]A:707 |
x,y,z |
1_555 |
7 |
1 |
356 |
68.8 |
1.1 |
0.049 |
1 |
0 |
0 |
0.000 |
33 |
36 |
|
[BMA]A:703 |
7 |
1 |
288 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
10242 |
67.2 |
1.2 |
0.301 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[BMA]B:710 |
7 |
1 |
294 |
cf |
[NAG]B:711 |
x,y,z |
1_555 |
7 |
1 |
357 |
66.6 |
3.2 |
0.190 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
[BMA]E:603 |
5 |
1 |
289 |
cf |
[NAG]E:602 |
x,y,z |
1_555 |
6 |
1 |
361 |
63.6 |
1.3 |
0.133 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[BMA]B:710 |
6 |
1 |
294 |
cf |
[NAG]B:709 |
x,y,z |
1_555 |
5 |
1 |
364 |
62.1 |
1.4 |
0.120 |
1 |
0 |
0 |
0.000 |
37 |
40 |
|
[BMA]A:709 |
7 |
1 |
290 |
cf |
[NAG]A:708 |
x,y,z |
1_555 |
5 |
1 |
361 |
60.5 |
1.0 |
0.093 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[BMA]A:703 |
6 |
1 |
288 |
cf |
[NAG]A:702 |
x,y,z |
1_555 |
5 |
1 |
362 |
59.7 |
1.6 |
0.138 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[NAG]B:711 |
5 |
1 |
357 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
25823 |
58.3 |
1.2 |
0.326 |
1 |
0 |
0 |
0.000 |
40 |
43 |
|
[ZN]A:704 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
25823 |
54.3 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.519 |
44 |
|
[ZN]B:703 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
25576 |
53.3 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.519 |
Average: |
53.8 |
-25.4 |
0.000 |
0 |
0 |
0 |
0.519 |
41 |
45 |
|
A |
6 |
3 |
25823 |
x |
A |
-x+3,y-1/2,-z+3 |
2_848 |
6 |
4 |
25823 |
51.4 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
[NAG]A:708 |
5 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
25823 |
48.1 |
1.1 |
0.330 |
1 |
0 |
0 |
0.000 |
43 |
47 |
|
[NAG]F:602 |
5 |
1 |
350 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
10460 |
43.4 |
0.6 |
0.307 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
B |
6 |
1 |
25576 |
◊ |
[BMA]E:603 |
x,y,z-1 |
1_554 |
5 |
1 |
289 |
42.3 |
-0.6 |
0.131 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
B |
6 |
4 |
25576 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
8 |
3 |
10460 |
35.2 |
0.6 |
0.758 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[NAG]B:711 |
3 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
25576 |
34.9 |
0.2 |
0.211 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[NAG]E:602 |
4 |
1 |
361 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
10242 |
32.9 |
-0.3 |
0.161 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
[NAG]A:711 |
4 |
1 |
352 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
25823 |
29.0 |
1.1 |
0.447 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[NAG]A:702 |
1 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
25823 |
23.8 |
0.4 |
0.459 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]B:702 |
1 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
25576 |
15.6 |
0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
Average: |
19.7 |
0.4 |
0.477 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
E |
2 |
1 |
10242 |
◊ |
[NAG]A:707 |
-x+2,y-1/2,-z+3 |
2_748 |
3 |
1 |
356 |
21.5 |
1.0 |
0.471 |
1 |
0 |
0 |
0.000 |
51 |
56 |
|
[NAG]B:711 |
4 |
1 |
357 |
f |
[NAG]B:709 |
x,y,z |
1_555 |
2 |
1 |
364 |
20.2 |
1.0 |
0.242 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[NAG]A:713 |
1 |
1 |
352 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
25823 |
7.6 |
0.3 |
0.458 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[NAG]B:709 |
1 |
1 |
364 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
25576 |
7.6 |
-0.0 |
0.231 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
E |
1 |
1 |
10242 |
◊ |
[BMA]A:709 |
-x+2,y-1/2,-z+3 |
2_748 |
2 |
1 |
290 |
6.5 |
0.1 |
0.278 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
[NAG]A:702 |
1 |
1 |
362 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
10242 |
5.6 |
-0.2 |
0.216 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
B |
1 |
1 |
25576 |
x |
B |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
25576 |
2.6 |
0.1 |
0.784 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
E |
1 |
1 |
10242 |
◊ |
A |
-x+2,y-1/2,-z+3 |
2_748 |
1 |
1 |
25823 |
1.2 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
58 |
63 |
|
[EDO]B:707 |
1 |
1 |
186 |
f |
A |
x-1,y,z |
1_455 |
1 |
1 |
25823 |
0.8 |
0.0 |
0.835 |
0 |
0 |
0 |
0.000 |
|