## |
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 |
59 |
19 |
16704 |
◊ |
A |
x,y,z |
1_555 |
58 |
19 |
16779 |
564.5 |
3.9 |
0.839 |
9 |
4 |
0 |
0.000 |
2 |
|
B |
50 |
16 |
16704 |
◊ |
A |
x-1,y,z |
1_455 |
60 |
18 |
16779 |
528.2 |
1.5 |
0.714 |
7 |
2 |
0 |
0.000 |
Average: |
546.3 |
2.7 |
0.777 |
8 |
3 |
0 |
0.000 |
2 |
3 |
|
[FGO]A:510 |
42 |
1 |
795 |
f |
A |
x,y,z |
1_555 |
71 |
30 |
16779 |
502.8 |
2.5 |
0.279 |
10 |
0 |
0 |
0.084 |
4 |
|
[FGO]B:512 |
42 |
1 |
782 |
f |
B |
x,y,z |
1_555 |
75 |
30 |
16704 |
494.4 |
1.9 |
0.285 |
10 |
0 |
0 |
0.084 |
Average: |
498.6 |
2.2 |
0.282 |
10 |
0 |
0 |
0.084 |
3 |
5 |
|
B |
44 |
10 |
16704 |
◊ |
A |
x-1,y,z-1 |
1_454 |
45 |
13 |
16779 |
377.7 |
0.4 |
0.697 |
5 |
0 |
0 |
0.000 |
6 |
|
B |
44 |
12 |
16704 |
◊ |
A |
x,y,z-1 |
1_554 |
41 |
10 |
16779 |
364.1 |
1.5 |
0.758 |
6 |
1 |
0 |
0.000 |
Average: |
370.9 |
0.9 |
0.728 |
6 |
1 |
0 |
0.000 |
4 |
7 |
|
B |
19 |
6 |
16704 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
24 |
6 |
16704 |
168.8 |
-0.7 |
0.521 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
20 |
6 |
16779 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
20 |
6 |
16779 |
168.8 |
-1.2 |
0.458 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
A |
16 |
6 |
16779 |
x |
A |
x-1,y,z |
1_455 |
13 |
3 |
16779 |
151.5 |
-1.5 |
0.248 |
1 |
3 |
0 |
0.000 |
10 |
|
B |
11 |
3 |
16704 |
x |
B |
x-1,y,z |
1_455 |
9 |
4 |
16704 |
82.9 |
0.3 |
0.686 |
1 |
3 |
0 |
0.000 |
Average: |
117.2 |
-0.6 |
0.467 |
1 |
3 |
0 |
0.000 |
7 |
11 |
|
[GOL]A:508 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
16779 |
132.5 |
-0.4 |
0.531 |
7 |
0 |
0 |
0.154 |
8 |
12 |
|
[GOL]B:510 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
16704 |
131.7 |
-0.2 |
0.559 |
7 |
0 |
0 |
0.042 |
9 |
13 |
|
[GOL]A:507 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
16779 |
130.0 |
-0.3 |
0.555 |
5 |
0 |
0 |
0.111 |
10 |
14 |
|
[EDO]B:507 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
16704 |
107.6 |
2.9 |
0.442 |
2 |
0 |
0 |
0.000 |
11 |
15 |
|
[PEG]A:509 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
16779 |
106.1 |
2.2 |
0.303 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]B:508 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
16704 |
105.8 |
3.3 |
0.526 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[GOL]B:511 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
16704 |
98.9 |
-0.2 |
0.573 |
3 |
0 |
0 |
0.019 |
14 |
18 |
|
[EDO]A:506 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
16779 |
86.6 |
2.5 |
0.430 |
1 |
0 |
0 |
0.000 |
15 |
19 |
|
[CO3]A:503 |
4 |
1 |
162 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16779 |
86.5 |
1.0 |
0.631 |
2 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:504 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
3 |
16779 |
81.6 |
1.5 |
0.204 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]A:505 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
16779 |
81.4 |
2.1 |
0.302 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[CO2]A:502 |
3 |
1 |
146 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
16779 |
75.8 |
-0.4 |
0.327 |
0 |
0 |
0 |
0.016 |
19 |
23 |
|
[CO2]B:503 |
3 |
1 |
147 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
16704 |
72.5 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[CO2]B:502 |
3 |
1 |
146 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
16704 |
69.4 |
0.2 |
0.446 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[FGO]A:510 |
9 |
1 |
795 |
f |
[EDO]A:505 |
x,y,z |
1_555 |
4 |
1 |
184 |
69.4 |
2.8 |
0.192 |
1 |
0 |
0 |
0.000 |
22 |
26 |
|
[EDO]B:509 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16704 |
66.5 |
2.2 |
0.864 |
1 |
0 |
0 |
0.000 |
23 |
27 |
|
[EDO]B:509 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
16779 |
59.4 |
1.7 |
0.922 |
2 |
0 |
0 |
0.000 |
24 |
28 |
|
[FGO]B:512 |
9 |
1 |
782 |
f |
[CO2]B:502 |
x,y,z |
1_555 |
3 |
1 |
146 |
53.9 |
0.7 |
0.264 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[CO2]B:504 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
16704 |
49.0 |
0.6 |
0.468 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
[CL]B:501 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
16704 |
35.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.176 |
31 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
16779 |
34.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.176 |
Average: |
34.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.176 |
27 |
32 |
|
[CO2]B:505 |
3 |
1 |
146 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
16704 |
34.7 |
0.0 |
0.411 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[GOL]A:508 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16704 |
33.5 |
-1.0 |
0.219 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[GOL]B:510 |
4 |
1 |
221 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
16779 |
33.5 |
-0.9 |
0.243 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[CO3]B:506 |
3 |
1 |
162 |
f |
[CO2]B:505 |
x,y,z |
1_555 |
2 |
1 |
146 |
29.6 |
0.2 |
0.295 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[FGO]A:510 |
2 |
1 |
795 |
f |
[CO2]A:502 |
x,y,z |
1_555 |
3 |
1 |
146 |
26.3 |
0.3 |
0.366 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
B |
2 |
1 |
16704 |
◊ |
[CL]A:501 |
x-1,y,z-1 |
1_454 |
1 |
1 |
125 |
21.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
|
[CL]B:501 |
1 |
1 |
125 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
16779 |
12.0 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
16.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[EDO]A:505 |
2 |
1 |
184 |
f |
[CO2]A:502 |
x,y,z |
1_555 |
2 |
1 |
146 |
15.8 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[EDO]B:507 |
2 |
1 |
183 |
f |
A |
x,y,z-1 |
1_554 |
1 |
1 |
16779 |
14.1 |
0.7 |
0.966 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
B |
1 |
1 |
16704 |
◊ |
[GOL]A:507 |
x-1,y,z-1 |
1_454 |
2 |
1 |
221 |
7.9 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
B |
3 |
2 |
16704 |
f |
[EDO]A:504 |
x-1,y,z |
1_455 |
1 |
1 |
183 |
7.2 |
-0.0 |
0.711 |
0 |
0 |
0 |
0.000 |
|