## |
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 |
87 |
25 |
20649 |
◊ |
A |
x,y,z |
1_555 |
90 |
25 |
20686 |
839.3 |
-12.1 |
0.057 |
4 |
0 |
0 |
0.715 |
2 |
2 |
|
[FDA]A:701 |
53 |
1 |
996 |
f |
A |
x,y,z |
1_555 |
103 |
44 |
20686 |
703.0 |
-9.3 |
0.413 |
16 |
0 |
0 |
1.000 |
3 |
|
[FDA]B:701 |
53 |
1 |
994 |
f |
B |
x,y,z |
1_555 |
105 |
45 |
20649 |
702.3 |
-9.3 |
0.408 |
16 |
0 |
0 |
1.000 |
Average: |
702.6 |
-9.3 |
0.410 |
16 |
0 |
0 |
1.000 |
3 |
4 |
|
B |
60 |
22 |
20649 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
57 |
16 |
20649 |
567.2 |
-1.4 |
0.621 |
4 |
0 |
0 |
0.000 |
5 |
|
A |
55 |
17 |
20686 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
57 |
22 |
20686 |
541.3 |
-3.2 |
0.421 |
5 |
0 |
0 |
0.000 |
Average: |
554.2 |
-2.3 |
0.521 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
43 |
18 |
20686 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
57 |
22 |
20649 |
453.5 |
0.2 |
0.443 |
6 |
0 |
0 |
0.000 |
7 |
|
B |
38 |
15 |
20649 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
39 |
17 |
20686 |
354.2 |
-0.7 |
0.380 |
2 |
0 |
0 |
0.000 |
Average: |
403.8 |
-0.3 |
0.412 |
4 |
0 |
0 |
0.000 |
5 |
8 |
|
[NAG]D:1 |
13 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
30 |
10 |
20649 |
197.6 |
6.2 |
0.585 |
5 |
0 |
0 |
0.000 |
9 |
|
[NAG]C:1 |
13 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
29 |
10 |
20686 |
194.9 |
6.6 |
0.561 |
5 |
0 |
0 |
0.000 |
Average: |
196.2 |
6.4 |
0.573 |
5 |
0 |
0 |
0.000 |
6 |
10 |
|
[NAG]A:703 |
13 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
32 |
12 |
20686 |
184.5 |
5.7 |
0.553 |
2 |
0 |
0 |
0.000 |
11 |
|
[NAG]B:703 |
14 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
31 |
11 |
20649 |
183.1 |
5.7 |
0.495 |
1 |
0 |
0 |
0.000 |
Average: |
183.8 |
5.7 |
0.524 |
2 |
0 |
0 |
0.000 |
7 |
12 |
|
[4NC]B:706 |
11 |
1 |
286 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
20649 |
163.7 |
3.9 |
0.411 |
3 |
0 |
0 |
0.000 |
13 |
|
[4NC]A:707 |
11 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
23 |
13 |
20686 |
163.5 |
3.9 |
0.399 |
3 |
0 |
0 |
0.000 |
Average: |
163.6 |
3.9 |
0.405 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
[4NC]B:707 |
11 |
1 |
286 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
20649 |
163.1 |
2.9 |
0.163 |
2 |
0 |
0 |
0.000 |
15 |
|
[4NC]A:708 |
11 |
1 |
284 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
20686 |
161.2 |
2.9 |
0.141 |
2 |
0 |
0 |
0.000 |
Average: |
162.1 |
2.9 |
0.152 |
2 |
0 |
0 |
0.000 |
9 |
16 |
|
[NAG]A:705 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
21 |
5 |
20686 |
132.6 |
2.8 |
0.382 |
0 |
0 |
0 |
0.000 |
17 |
|
[NAG]B:705 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
21 |
5 |
20649 |
132.2 |
2.6 |
0.347 |
0 |
0 |
0 |
0.000 |
Average: |
132.4 |
2.7 |
0.365 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
[NAG]A:706 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
11 |
6 |
20686 |
109.9 |
2.8 |
0.347 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[NAG]A:702 |
9 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
13 |
3 |
20686 |
88.6 |
3.1 |
0.441 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]B:702 |
7 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
12 |
3 |
20649 |
88.0 |
3.0 |
0.568 |
0 |
0 |
0 |
0.000 |
Average: |
88.3 |
3.1 |
0.505 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[NAG]B:704 |
5 |
1 |
365 |
◊ |
A |
x,y,z-1 |
1_554 |
13 |
4 |
20686 |
81.9 |
1.1 |
0.403 |
2 |
0 |
0 |
0.000 |
22 |
|
B |
12 |
4 |
20649 |
◊ |
[NAG]A:704 |
x,y,z-1 |
1_554 |
5 |
1 |
363 |
80.9 |
1.0 |
0.393 |
2 |
0 |
0 |
0.000 |
Average: |
81.4 |
1.0 |
0.398 |
2 |
0 |
0 |
0.000 |
13 |
23 |
|
[FMT]B:708 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20649 |
76.4 |
-0.3 |
0.373 |
2 |
0 |
0 |
0.093 |
24 |
|
[FMT]A:709 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
20686 |
75.6 |
-0.2 |
0.382 |
1 |
0 |
0 |
0.093 |
Average: |
76.0 |
-0.2 |
0.378 |
2 |
0 |
0 |
0.093 |
14 |
25 |
|
[NAG]C:2 |
10 |
1 |
360 |
cf |
[NAG]C:1 |
x,y,z |
1_555 |
7 |
1 |
361 |
75.8 |
1.6 |
0.066 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]D:2 |
10 |
1 |
363 |
cf |
[NAG]D:1 |
x,y,z |
1_555 |
7 |
1 |
362 |
74.5 |
1.7 |
0.080 |
0 |
0 |
0 |
0.000 |
Average: |
75.1 |
1.7 |
0.073 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
[FMT]A:710 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20686 |
73.4 |
-0.6 |
0.368 |
2 |
0 |
0 |
0.074 |
16 |
28 |
|
[FMT]B:709 |
3 |
1 |
151 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
20649 |
73.1 |
-0.6 |
0.365 |
2 |
0 |
0 |
0.075 |
17 |
29 |
|
A |
11 |
3 |
20686 |
◊ |
[NAG]B:705 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
362 |
71.3 |
2.9 |
0.672 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
A |
9 |
3 |
20686 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
2 |
20649 |
66.1 |
0.4 |
0.680 |
0 |
0 |
0 |
0.000 |
31 |
|
A |
4 |
1 |
20686 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
2 |
20649 |
38.3 |
0.5 |
0.635 |
0 |
0 |
0 |
0.000 |
Average: |
52.2 |
0.5 |
0.658 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[NAG]A:704 |
7 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
5 |
1 |
20686 |
63.3 |
1.8 |
0.427 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]B:704 |
7 |
1 |
365 |
cf |
B |
x,y,z |
1_555 |
5 |
1 |
20649 |
62.3 |
1.6 |
0.440 |
0 |
0 |
0 |
0.000 |
Average: |
62.8 |
1.7 |
0.433 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
[NA]A:714 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
20649 |
60.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.488 |
35 |
|
[NA]A:714 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
20686 |
59.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.488 |
Average: |
59.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.488 |
21 |
36 |
|
[CL]A:713 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
20686 |
58.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.445 |
22 |
37 |
|
[NAG]C:2 |
8 |
1 |
360 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20686 |
55.9 |
2.1 |
0.300 |
1 |
0 |
0 |
0.000 |
23 |
38 |
|
[NAG]A:705 |
5 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20649 |
54.6 |
0.2 |
0.253 |
1 |
0 |
0 |
0.029 |
39 |
|
[NAG]B:705 |
5 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20686 |
53.3 |
0.1 |
0.234 |
1 |
0 |
0 |
0.029 |
Average: |
54.0 |
0.2 |
0.243 |
1 |
0 |
0 |
0.029 |
24 |
40 |
|
[NAG]B:704 |
5 |
1 |
365 |
◊ |
[NAG]A:704 |
x,y,z-1 |
1_554 |
5 |
1 |
363 |
54.5 |
2.9 |
0.391 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
[NAG]D:2 |
5 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20649 |
50.1 |
1.8 |
0.457 |
1 |
0 |
0 |
0.000 |
26 |
42 |
|
B |
9 |
4 |
20649 |
◊ |
[NAG]A:706 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
359 |
47.6 |
0.3 |
0.198 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
[4NC]B:707 |
4 |
1 |
286 |
f |
[FDA]B:701 |
x,y,z |
1_555 |
5 |
1 |
994 |
40.0 |
1.2 |
0.265 |
0 |
0 |
0 |
0.000 |
44 |
|
[4NC]A:708 |
5 |
1 |
284 |
f |
[FDA]A:701 |
x,y,z |
1_555 |
5 |
1 |
996 |
39.5 |
1.2 |
0.126 |
0 |
0 |
0 |
0.000 |
Average: |
39.7 |
1.2 |
0.196 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[NAG]B:705 |
4 |
1 |
362 |
◊ |
[NAG]A:705 |
x,y,z |
1_555 |
4 |
1 |
361 |
38.0 |
0.8 |
0.234 |
0 |
0 |
0 |
0.000 |
29 |
46 |
|
B |
7 |
3 |
20649 |
◊ |
[NAG]A:705 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
361 |
37.0 |
1.8 |
0.624 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[FMT]A:709 |
2 |
1 |
149 |
f |
[FDA]A:701 |
x,y,z |
1_555 |
9 |
1 |
996 |
36.6 |
0.1 |
0.613 |
0 |
0 |
0 |
0.000 |
48 |
|
[FMT]B:708 |
2 |
1 |
149 |
f |
[FDA]B:701 |
x,y,z |
1_555 |
9 |
1 |
994 |
36.3 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
Average: |
36.4 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
31 |
49 |
|
[MG]A:711 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
20686 |
32.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.347 |
50 |
|
[MG]B:710 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
20649 |
32.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.347 |
Average: |
32.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.347 |
32 |
51 |
|
[FMT]A:709 |
3 |
1 |
149 |
f |
[4NC]A:707 |
x,y,z |
1_555 |
3 |
1 |
287 |
30.5 |
0.9 |
0.228 |
1 |
0 |
0 |
0.000 |
52 |
|
[FMT]B:708 |
3 |
1 |
149 |
f |
[4NC]B:706 |
x,y,z |
1_555 |
3 |
1 |
286 |
30.2 |
0.9 |
0.260 |
1 |
0 |
0 |
0.000 |
Average: |
30.4 |
0.9 |
0.244 |
1 |
0 |
0 |
0.000 |
33 |
53 |
|
[MG]A:712 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
20649 |
29.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.357 |
54 |
|
[MG]A:712 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
20686 |
29.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.357 |
Average: |
29.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.357 |
34 |
55 |
|
[NAG]C:1 |
2 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20649 |
25.5 |
0.5 |
0.303 |
0 |
0 |
0 |
0.000 |
56 |
|
[NAG]D:1 |
1 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20686 |
23.6 |
0.5 |
0.352 |
0 |
0 |
0 |
0.000 |
Average: |
24.5 |
0.5 |
0.327 |
0 |
0 |
0 |
0.000 |
35 |
57 |
|
A |
4 |
2 |
20686 |
◊ |
[CL]A:713 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
125 |
20.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
[MG]A:711 |
1 |
1 |
98 |
f |
[NAG]A:703 |
x,y,z |
1_555 |
4 |
1 |
362 |
16.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.147 |
59 |
|
[MG]B:710 |
1 |
1 |
98 |
f |
[NAG]B:703 |
x,y,z |
1_555 |
4 |
1 |
362 |
15.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
15.9 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.147 |
37 |
60 |
|
[NAG]A:703 |
3 |
1 |
362 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
20649 |
10.0 |
-0.2 |
0.302 |
0 |
0 |
0 |
0.000 |
38 |
61 |
|
[4NC]B:706 |
2 |
1 |
286 |
f |
[FDA]B:701 |
x,y,z |
1_555 |
4 |
1 |
994 |
5.7 |
0.2 |
0.071 |
0 |
0 |
0 |
0.000 |
62 |
|
[4NC]A:707 |
3 |
1 |
287 |
f |
[FDA]A:701 |
x,y,z |
1_555 |
4 |
1 |
996 |
5.7 |
0.2 |
0.021 |
0 |
0 |
0 |
0.000 |
Average: |
5.7 |
0.2 |
0.046 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
[NAG]B:703 |
1 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20686 |
3.3 |
0.2 |
0.469 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]A:703 |
1 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20649 |
2.8 |
0.1 |
0.467 |
0 |
0 |
0 |
0.000 |
Average: |
3.0 |
0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
|