| ## |
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 |
88 |
25 |
20975 |
◊ |
A |
x,y,z |
1_555 |
89 |
25 |
20740 |
862.8 |
-12.1 |
0.059 |
2 |
0 |
0 |
0.373 |
| 2 |
2 |
|
[FDA]A:701 |
53 |
1 |
998 |
f |
A |
x,y,z |
1_555 |
105 |
45 |
20740 |
701.2 |
-9.2 |
0.413 |
15 |
0 |
0 |
0.920 |
3 |
|
[FDA]B:701 |
53 |
1 |
996 |
f |
B |
x,y,z |
1_555 |
106 |
46 |
20975 |
700.3 |
-9.5 |
0.413 |
15 |
0 |
0 |
0.920 |
| Average: |
700.7 |
-9.3 |
0.413 |
15 |
0 |
0 |
0.920 |
| 3 |
4 |
|
A |
58 |
21 |
20740 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
53 |
17 |
20740 |
545.5 |
-3.5 |
0.378 |
5 |
0 |
0 |
0.000 |
5 |
|
B |
55 |
16 |
20975 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
58 |
19 |
20975 |
544.9 |
-2.7 |
0.432 |
3 |
0 |
0 |
0.000 |
| Average: |
545.2 |
-3.1 |
0.405 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
53 |
16 |
20975 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
61 |
23 |
20740 |
532.0 |
-4.2 |
0.265 |
3 |
0 |
0 |
0.000 |
7 |
|
A |
48 |
19 |
20740 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
51 |
20 |
20975 |
462.5 |
-0.5 |
0.380 |
7 |
0 |
0 |
0.000 |
| Average: |
497.2 |
-2.3 |
0.323 |
5 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[EBS]A:707 |
31 |
1 |
684 |
f |
A |
x,y,z |
1_555 |
46 |
19 |
20740 |
371.1 |
-2.2 |
0.342 |
2 |
0 |
0 |
0.184 |
9 |
|
[EBS]B:706 |
31 |
1 |
676 |
f |
B |
x,y,z |
1_555 |
46 |
19 |
20975 |
368.6 |
-2.4 |
0.342 |
2 |
0 |
0 |
0.184 |
| Average: |
369.9 |
-2.3 |
0.342 |
2 |
0 |
0 |
0.184 |
| 6 |
10 |
|
[NAG]D:1 |
13 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
30 |
10 |
20975 |
197.3 |
6.3 |
0.569 |
5 |
0 |
0 |
0.000 |
11 |
|
[NAG]C:1 |
13 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
29 |
10 |
20740 |
196.6 |
6.2 |
0.568 |
5 |
0 |
0 |
0.000 |
| Average: |
196.9 |
6.2 |
0.568 |
5 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[NAG]A:703 |
13 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
33 |
12 |
20740 |
188.0 |
5.7 |
0.592 |
2 |
0 |
0 |
0.000 |
13 |
|
[NAG]B:703 |
14 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
31 |
11 |
20975 |
180.2 |
5.6 |
0.502 |
1 |
0 |
0 |
0.000 |
| Average: |
184.1 |
5.7 |
0.547 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[NAG]A:705 |
12 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
20 |
5 |
20740 |
134.9 |
2.8 |
0.332 |
0 |
0 |
0 |
0.000 |
15 |
|
[NAG]B:705 |
11 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
21 |
5 |
20975 |
131.9 |
2.7 |
0.344 |
0 |
0 |
0 |
0.000 |
| Average: |
133.4 |
2.8 |
0.338 |
0 |
0 |
0 |
0.000 |
| 9 |
16 |
|
[NAG]A:706 |
11 |
1 |
369 |
cf |
A |
x,y,z |
1_555 |
10 |
6 |
20740 |
110.0 |
2.6 |
0.315 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[EBS]B:706 |
11 |
1 |
676 |
f |
[FDA]B:701 |
x,y,z |
1_555 |
11 |
1 |
996 |
93.9 |
0.3 |
0.589 |
0 |
0 |
0 |
0.000 |
18 |
|
[EBS]A:707 |
11 |
1 |
684 |
f |
[FDA]A:701 |
x,y,z |
1_555 |
11 |
1 |
998 |
93.3 |
0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
| Average: |
93.6 |
0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[NAG]A:702 |
8 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
13 |
3 |
20740 |
89.0 |
3.0 |
0.454 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[NAG]B:702 |
7 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
14 |
4 |
20975 |
87.6 |
3.1 |
0.566 |
0 |
0 |
0 |
0.000 |
| 13 |
21 |
|
A |
12 |
4 |
20740 |
◊ |
[NAG]B:704 |
x,y,z-1 |
1_554 |
6 |
1 |
363 |
82.9 |
1.0 |
0.357 |
2 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:704 |
5 |
1 |
366 |
◊ |
B |
x,y,z-1 |
1_554 |
13 |
4 |
20975 |
81.8 |
1.1 |
0.397 |
2 |
0 |
0 |
0.000 |
| Average: |
82.3 |
1.0 |
0.377 |
2 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[NAG]C:2 |
10 |
1 |
363 |
cf |
[NAG]C:1 |
x,y,z |
1_555 |
7 |
1 |
364 |
75.4 |
1.6 |
0.075 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[FMT]B:707 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
20975 |
74.5 |
-0.7 |
0.357 |
1 |
0 |
0 |
0.064 |
25 |
|
[FMT]A:708 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20740 |
74.4 |
-0.7 |
0.358 |
1 |
0 |
0 |
0.064 |
| Average: |
74.5 |
-0.7 |
0.358 |
1 |
0 |
0 |
0.064 |
| 16 |
26 |
|
[NAG]D:2 |
10 |
1 |
362 |
cf |
[NAG]D:1 |
x,y,z |
1_555 |
7 |
1 |
363 |
74.2 |
1.8 |
0.080 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
A |
10 |
3 |
20740 |
◊ |
[NAG]B:705 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
360 |
71.8 |
3.1 |
0.685 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
B |
7 |
3 |
20975 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
4 |
20740 |
70.4 |
0.4 |
0.671 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
9 |
2 |
20975 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
20740 |
43.2 |
0.6 |
0.667 |
0 |
0 |
0 |
0.000 |
| Average: |
56.8 |
0.5 |
0.669 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[NAG]A:704 |
7 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
5 |
1 |
20740 |
63.6 |
1.7 |
0.409 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]B:704 |
7 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
5 |
1 |
20975 |
63.2 |
1.6 |
0.379 |
0 |
0 |
0 |
0.000 |
| Average: |
63.4 |
1.7 |
0.394 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[CL]A:711 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20740 |
60.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.249 |
| 21 |
33 |
|
B |
9 |
4 |
20975 |
◊ |
[NAG]A:706 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
369 |
58.8 |
0.8 |
0.291 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[NAG]C:2 |
5 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20740 |
57.9 |
2.0 |
0.495 |
1 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[NAG]A:705 |
5 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20975 |
54.5 |
0.2 |
0.254 |
1 |
0 |
0 |
0.016 |
36 |
|
[NAG]B:705 |
5 |
1 |
360 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20740 |
52.8 |
0.1 |
0.231 |
1 |
0 |
0 |
0.016 |
| Average: |
53.6 |
0.2 |
0.242 |
1 |
0 |
0 |
0.016 |
| 24 |
37 |
|
[NAG]D:2 |
7 |
1 |
362 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20975 |
52.9 |
1.9 |
0.372 |
1 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[NAG]A:704 |
5 |
1 |
366 |
◊ |
[NAG]B:704 |
x,y,z-1 |
1_554 |
5 |
1 |
363 |
49.0 |
2.6 |
0.288 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
B |
7 |
3 |
20975 |
◊ |
[NAG]A:705 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
362 |
38.2 |
1.9 |
0.607 |
0 |
0 |
0 |
0.000 |
| 27 |
40 |
|
[NAG]B:705 |
4 |
1 |
360 |
◊ |
[NAG]A:705 |
x,y,z |
1_555 |
4 |
1 |
362 |
36.9 |
0.8 |
0.210 |
0 |
0 |
0 |
0.000 |
| 28 |
41 |
|
B |
5 |
2 |
20975 |
◊ |
[EBS]A:707 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
684 |
35.0 |
0.5 |
0.652 |
1 |
0 |
0 |
0.000 |
42 |
|
A |
5 |
1 |
20740 |
◊ |
[EBS]B:706 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
676 |
16.4 |
-0.3 |
0.431 |
0 |
0 |
0 |
0.000 |
| Average: |
25.7 |
0.1 |
0.542 |
1 |
0 |
0 |
0.000 |
| 29 |
43 |
|
[CL]A:711 |
1 |
1 |
125 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
2 |
20740 |
32.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
[MG]A:710 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
20740 |
32.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.102 |
| 31 |
45 |
|
[MG]B:708 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
20975 |
31.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.091 |
| 32 |
46 |
|
[MG]A:709 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
20740 |
28.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.194 |
47 |
|
[MG]A:709 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
20975 |
28.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.194 |
| Average: |
28.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.194 |
| 33 |
48 |
|
[NAG]C:1 |
2 |
1 |
364 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20975 |
25.6 |
0.5 |
0.306 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAG]D:1 |
2 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20740 |
25.2 |
0.5 |
0.305 |
0 |
0 |
0 |
0.000 |
| Average: |
25.4 |
0.5 |
0.305 |
0 |
0 |
0 |
0.000 |
| 34 |
50 |
|
[MG]B:708 |
1 |
1 |
98 |
f |
[NAG]B:703 |
x,y,z |
1_555 |
4 |
1 |
363 |
18.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.048 |
| 35 |
51 |
|
[MG]A:710 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20975 |
14.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.039 |
| 36 |
52 |
|
B |
3 |
2 |
20975 |
◊ |
[NAG]A:703 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
362 |
14.6 |
-0.0 |
0.317 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAG]B:703 |
1 |
1 |
363 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
20740 |
1.0 |
-0.0 |
0.261 |
0 |
0 |
0 |
0.000 |
| Average: |
7.8 |
-0.0 |
0.289 |
0 |
0 |
0 |
0.000 |
| 37 |
54 |
|
[NAG]B:703 |
1 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20740 |
3.3 |
0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
55 |
|
[NAG]A:703 |
1 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20975 |
2.4 |
0.1 |
0.327 |
0 |
0 |
0 |
0.000 |
| Average: |
2.9 |
0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
|