## |
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 |
219 |
51 |
19600 |
◊ |
A |
x,y,z |
1_555 |
221 |
54 |
19119 |
2056.8 |
1.8 |
0.892 |
14 |
23 |
0 |
0.050 |
2 |
|
D |
221 |
51 |
19455 |
◊ |
C |
x,y,z |
1_555 |
213 |
50 |
19230 |
2001.7 |
2.8 |
0.913 |
18 |
28 |
0 |
0.050 |
Average: |
2029.2 |
2.3 |
0.902 |
16 |
26 |
0 |
0.050 |
2 |
3 |
|
[FAD]B:501 |
53 |
1 |
1022 |
f |
B |
x,y,z |
1_555 |
114 |
45 |
19600 |
750.9 |
-10.5 |
0.351 |
15 |
0 |
0 |
0.204 |
4 |
|
[FAD]A:501 |
53 |
1 |
1026 |
f |
A |
x,y,z |
1_555 |
116 |
44 |
19119 |
748.7 |
-10.5 |
0.355 |
16 |
0 |
0 |
0.204 |
5 |
|
[FAD]D:501 |
53 |
1 |
1026 |
f |
D |
x,y,z |
1_555 |
116 |
44 |
19455 |
745.4 |
-10.3 |
0.339 |
15 |
0 |
0 |
0.204 |
6 |
|
[FAD]C:501 |
53 |
1 |
1024 |
f |
C |
x,y,z |
1_555 |
116 |
45 |
19230 |
743.0 |
-10.3 |
0.384 |
17 |
0 |
0 |
0.204 |
Average: |
747.0 |
-10.4 |
0.358 |
16 |
0 |
0 |
0.204 |
3 |
7 |
|
D |
49 |
15 |
19455 |
◊ |
C |
-x+1,y-1/2,-z+3 |
2_648 |
43 |
12 |
19230 |
437.3 |
-1.2 |
0.585 |
2 |
1 |
0 |
0.012 |
4 |
8 |
|
D |
40 |
11 |
19455 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
41 |
11 |
19119 |
379.1 |
-3.0 |
0.334 |
3 |
0 |
0 |
0.011 |
5 |
9 |
|
B |
40 |
15 |
19600 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
42 |
16 |
19119 |
336.0 |
0.5 |
0.706 |
2 |
1 |
0 |
0.001 |
6 |
10 |
|
C |
42 |
15 |
19230 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
19600 |
320.6 |
2.1 |
0.851 |
4 |
1 |
0 |
0.000 |
7 |
11 |
|
D |
36 |
13 |
19455 |
◊ |
A |
x-1,y,z+1 |
1_456 |
40 |
16 |
19119 |
298.7 |
1.0 |
0.731 |
4 |
2 |
0 |
0.000 |
8 |
12 |
|
D |
32 |
15 |
19455 |
◊ |
C |
-x,y-1/2,-z+3 |
2_548 |
32 |
12 |
19230 |
259.8 |
-2.6 |
0.327 |
1 |
0 |
0 |
0.018 |
9 |
13 |
|
B |
28 |
10 |
19600 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
28 |
7 |
19119 |
236.0 |
-1.0 |
0.519 |
1 |
0 |
0 |
0.007 |
10 |
14 |
|
C |
30 |
9 |
19230 |
◊ |
A |
x-1,y,z+1 |
1_456 |
30 |
11 |
19119 |
224.8 |
1.5 |
0.760 |
3 |
2 |
0 |
0.000 |
11 |
15 |
|
D |
24 |
8 |
19455 |
◊ |
B |
x,y,z |
1_555 |
28 |
8 |
19600 |
187.5 |
0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
12 |
16 |
|
B |
26 |
6 |
19600 |
◊ |
D |
x,y,z-1 |
1_554 |
21 |
8 |
19455 |
185.1 |
0.6 |
0.674 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[GOL]A:505 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19119 |
140.5 |
-0.3 |
0.586 |
3 |
0 |
0 |
0.008 |
14 |
18 |
|
B |
13 |
5 |
19600 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
17 |
5 |
19230 |
119.7 |
-0.2 |
0.526 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
D |
14 |
6 |
19455 |
◊ |
A |
-x+1,y-1/2,-z+3 |
2_648 |
14 |
5 |
19119 |
117.8 |
-1.2 |
0.358 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
B |
10 |
3 |
19600 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
6 |
19119 |
116.0 |
-2.0 |
0.177 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
C |
16 |
6 |
19230 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
5 |
19119 |
110.2 |
0.4 |
0.574 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[NAG]D:504 |
11 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
14 |
4 |
19455 |
108.7 |
2.2 |
0.272 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[NAG]C:504 |
10 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
14 |
5 |
19230 |
105.3 |
2.3 |
0.308 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[NAG]A:504 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
14 |
4 |
19119 |
105.0 |
2.2 |
0.303 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[NAG]B:506 |
11 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
9 |
4 |
19600 |
101.4 |
2.3 |
0.269 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
B |
9 |
4 |
19600 |
◊ |
[NAG]A:504 |
-x+1,y-1/2,-z+2 |
2_647 |
8 |
1 |
363 |
88.5 |
1.8 |
0.276 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[FUC]B:505 |
5 |
1 |
279 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
3 |
19455 |
73.9 |
1.0 |
0.279 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[NAG]B:507 |
9 |
1 |
352 |
cf |
[NAG]B:506 |
x,y,z |
1_555 |
7 |
1 |
362 |
70.4 |
1.6 |
0.068 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
D |
8 |
4 |
19455 |
◊ |
B |
x-1,y,z+1 |
1_456 |
14 |
5 |
19600 |
69.7 |
0.5 |
0.644 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
D |
7 |
3 |
19455 |
◊ |
[NAG]C:504 |
-x,y-1/2,-z+3 |
2_548 |
6 |
1 |
362 |
66.7 |
0.9 |
0.234 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
B |
7 |
1 |
19600 |
◊ |
C |
-x+1,y-1/2,-z+3 |
2_648 |
5 |
3 |
19230 |
63.0 |
-1.0 |
0.249 |
0 |
0 |
0 |
0.003 |
28 |
32 |
|
[FUC]B:505 |
5 |
1 |
279 |
cf |
[NAG]B:506 |
x,y,z |
1_555 |
4 |
1 |
362 |
60.0 |
1.9 |
0.237 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[FUC]B:505 |
5 |
1 |
279 |
f |
[NAG]B:507 |
x,y,z |
1_555 |
7 |
1 |
352 |
54.7 |
2.4 |
0.198 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[ZN]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
19600 |
53.6 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.175 |
31 |
35 |
|
[FUC]C:505 |
4 |
1 |
280 |
cf |
[NAG]C:504 |
x,y,z |
1_555 |
4 |
1 |
362 |
52.3 |
1.9 |
0.276 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[ZN]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
19455 |
52.0 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.152 |
33 |
37 |
|
[ZN]C:506 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
19455 |
49.4 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.298 |
38 |
|
[ZN]A:506 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19600 |
47.8 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.298 |
39 |
|
[ZN]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19230 |
46.2 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.298 |
40 |
|
[ZN]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
19119 |
45.3 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.298 |
Average: |
47.2 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.298 |
34 |
41 |
|
[FUC]C:505 |
6 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19230 |
47.2 |
1.4 |
0.342 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[ZN]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
19600 |
46.6 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.129 |
36 |
43 |
|
[ZN]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19600 |
45.3 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.120 |
37 |
44 |
|
[ZN]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
19230 |
44.0 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.175 |
45 |
|
[ZN]A:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
19119 |
39.5 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.175 |
Average: |
41.8 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.175 |
38 |
46 |
|
[ZN]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
19455 |
43.7 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.142 |
39 |
47 |
|
C |
5 |
5 |
19230 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
19119 |
37.3 |
1.1 |
0.842 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
D |
7 |
2 |
19455 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
2 |
19600 |
37.1 |
0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
41 |
49 |
|
B |
4 |
2 |
19600 |
◊ |
[ZN]A:503 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
98 |
34.0 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.078 |
42 |
50 |
|
[ZN]B:503 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
19230 |
32.4 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.076 |
43 |
51 |
|
D |
6 |
2 |
19455 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
3 |
19230 |
32.0 |
-0.8 |
0.318 |
0 |
0 |
0 |
0.000 |
44 |
52 |
|
[ZN]D:502 |
1 |
1 |
98 |
◊ |
C |
-x,y-1/2,-z+3 |
2_548 |
5 |
3 |
19230 |
31.9 |
-14.6 |
0.000 |
0 |
0 |
0 |
0.085 |
45 |
53 |
|
D |
3 |
1 |
19455 |
◊ |
[ZN]C:503 |
-x+1,y-1/2,-z+3 |
2_648 |
1 |
1 |
98 |
30.9 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.072 |
46 |
54 |
|
[ZN]B:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
19455 |
30.8 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.035 |
47 |
55 |
|
[ZN]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19600 |
30.3 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.130 |
56 |
|
[ZN]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
19455 |
29.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.130 |
57 |
|
[ZN]A:506 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19119 |
29.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.130 |
58 |
|
[ZN]C:506 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19230 |
28.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
29.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.130 |
48 |
59 |
|
[ZN]D:503 |
1 |
1 |
98 |
◊ |
C |
-x+1,y-1/2,-z+3 |
2_648 |
7 |
2 |
19230 |
29.9 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.069 |
49 |
60 |
|
[FUC]B:505 |
3 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
19600 |
24.3 |
-0.5 |
0.151 |
0 |
0 |
0 |
0.002 |
50 |
61 |
|
A |
5 |
3 |
19119 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
19230 |
24.2 |
-0.4 |
0.186 |
0 |
0 |
0 |
0.001 |
51 |
62 |
|
B |
5 |
3 |
19600 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
2 |
19230 |
18.7 |
0.3 |
0.544 |
0 |
0 |
0 |
0.000 |
52 |
63 |
|
[NAG]B:507 |
3 |
1 |
352 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
19600 |
16.9 |
0.3 |
0.231 |
0 |
0 |
0 |
0.000 |
53 |
64 |
|
[FUC]C:505 |
1 |
1 |
280 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
19119 |
8.6 |
0.2 |
0.306 |
0 |
0 |
0 |
0.000 |
|