## |
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 |
|
[FGO]B:512 |
42 |
1 |
779 |
f |
B |
x,y,z |
1_555 |
77 |
30 |
16889 |
566.4 |
3.3 |
0.354 |
9 |
0 |
0 |
0.007 |
2 |
|
[FGO]A:510 |
42 |
1 |
777 |
f |
A |
x,y,z |
1_555 |
83 |
32 |
17115 |
561.0 |
3.0 |
0.366 |
11 |
0 |
0 |
0.007 |
Average: |
563.7 |
3.2 |
0.360 |
10 |
0 |
0 |
0.007 |
2 |
3 |
|
B |
61 |
19 |
16889 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
17115 |
554.3 |
3.4 |
0.750 |
9 |
3 |
0 |
0.000 |
4 |
|
A |
61 |
19 |
17115 |
◊ |
B |
x-1,y,z |
1_455 |
52 |
18 |
16889 |
523.6 |
3.2 |
0.791 |
9 |
5 |
0 |
0.000 |
Average: |
539.0 |
3.3 |
0.770 |
9 |
4 |
0 |
0.000 |
3 |
5 |
|
A |
46 |
13 |
17115 |
◊ |
B |
x-1,y,z+1 |
1_456 |
42 |
10 |
16889 |
366.2 |
0.1 |
0.679 |
4 |
1 |
0 |
0.000 |
6 |
|
B |
46 |
13 |
16889 |
◊ |
A |
x,y,z-1 |
1_554 |
41 |
10 |
17115 |
358.4 |
1.0 |
0.743 |
4 |
1 |
0 |
0.000 |
Average: |
362.3 |
0.6 |
0.711 |
4 |
1 |
0 |
0.000 |
4 |
7 |
|
B |
22 |
6 |
16889 |
x |
B |
-x+1,y-1/2,-z-1 |
2_644 |
20 |
7 |
16889 |
167.9 |
-2.0 |
0.361 |
0 |
0 |
0 |
0.000 |
5 |
8 |
|
A |
22 |
6 |
17115 |
x |
A |
-x,y-1/2,-z |
2_545 |
18 |
6 |
17115 |
167.5 |
-1.8 |
0.382 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
A |
13 |
3 |
17115 |
x |
A |
x-1,y,z |
1_455 |
18 |
6 |
17115 |
153.1 |
-2.0 |
0.163 |
0 |
3 |
0 |
0.000 |
10 |
|
B |
15 |
4 |
16889 |
x |
B |
x-1,y,z |
1_455 |
21 |
7 |
16889 |
149.5 |
-0.9 |
0.452 |
1 |
3 |
0 |
0.000 |
Average: |
151.3 |
-1.4 |
0.307 |
1 |
3 |
0 |
0.000 |
7 |
11 |
|
[GOL]A:509 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
17115 |
132.9 |
-0.3 |
0.542 |
5 |
0 |
0 |
0.009 |
8 |
12 |
|
[GOL]B:511 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
16889 |
131.5 |
-0.6 |
0.512 |
4 |
0 |
0 |
0.000 |
9 |
13 |
|
[GOL]B:510 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
16889 |
130.7 |
-0.4 |
0.533 |
4 |
0 |
0 |
0.000 |
10 |
14 |
|
[GOL]A:508 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
17115 |
116.0 |
-0.1 |
0.608 |
3 |
0 |
0 |
0.005 |
11 |
15 |
|
[EDO]B:506 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
16889 |
107.4 |
3.1 |
0.499 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
[EDO]B:503 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
16889 |
107.4 |
3.7 |
0.542 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[EDO]A:506 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17115 |
107.3 |
3.7 |
0.551 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[EDO]B:505 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16889 |
96.8 |
3.0 |
0.521 |
4 |
0 |
0 |
0.000 |
15 |
19 |
|
[EDO]A:507 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
17115 |
92.0 |
2.5 |
0.438 |
1 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]B:507 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16889 |
87.1 |
2.3 |
0.430 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
A |
12 |
5 |
17115 |
◊ |
[EDO]B:508 |
x-1,y,z |
1_455 |
4 |
1 |
185 |
84.6 |
2.1 |
0.383 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[EDO]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16889 |
81.1 |
2.3 |
0.266 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]B:504 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
16889 |
77.3 |
2.6 |
0.315 |
2 |
0 |
0 |
0.000 |
20 |
24 |
|
[CO2]B:501 |
3 |
1 |
146 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
16889 |
75.9 |
0.0 |
0.408 |
1 |
0 |
0 |
0.000 |
21 |
25 |
|
[CL]A:502 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
17115 |
75.0 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.044 |
22 |
26 |
|
[CO2]A:504 |
3 |
1 |
146 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
17115 |
74.3 |
-0.5 |
0.522 |
0 |
0 |
0 |
0.002 |
23 |
27 |
|
[EDO]B:508 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16889 |
71.1 |
2.4 |
0.322 |
4 |
0 |
0 |
0.000 |
24 |
28 |
|
A |
10 |
4 |
17115 |
f |
[EDO]B:509 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
70.1 |
0.4 |
0.484 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[EDO]B:509 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
16889 |
64.2 |
2.3 |
0.278 |
0 |
0 |
0 |
0.000 |
26 |
30 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17115 |
63.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.038 |
27 |
31 |
|
[FGO]A:510 |
9 |
1 |
777 |
f |
[GOL]A:508 |
x,y,z |
1_555 |
5 |
1 |
221 |
61.6 |
1.1 |
0.471 |
2 |
0 |
0 |
0.000 |
28 |
32 |
|
[CO2]A:503 |
3 |
1 |
147 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
16889 |
60.2 |
-0.8 |
0.295 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
[CO2]A:505 |
3 |
1 |
146 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17115 |
59.8 |
-0.1 |
0.419 |
3 |
0 |
0 |
0.005 |
30 |
34 |
|
A |
7 |
3 |
17115 |
f |
[EDO]B:504 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
55.7 |
1.2 |
0.806 |
2 |
0 |
0 |
0.000 |
31 |
35 |
|
[FGO]B:512 |
7 |
1 |
779 |
f |
[EDO]B:506 |
x,y,z |
1_555 |
3 |
1 |
183 |
46.8 |
1.9 |
0.595 |
1 |
0 |
0 |
0.000 |
32 |
36 |
|
[CO2]A:503 |
2 |
1 |
147 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
17115 |
42.1 |
-0.0 |
0.551 |
1 |
0 |
0 |
0.000 |
33 |
37 |
|
A |
3 |
2 |
17115 |
◊ |
[GOL]B:511 |
x-1,y,z |
1_455 |
5 |
1 |
219 |
38.6 |
-0.6 |
0.234 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[GOL]A:509 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16889 |
34.3 |
-1.1 |
0.171 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
[FGO]A:510 |
6 |
1 |
777 |
f |
[CO2]A:505 |
x,y,z |
1_555 |
3 |
1 |
146 |
30.8 |
0.3 |
0.272 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[FGO]B:512 |
3 |
1 |
779 |
f |
[EDO]B:502 |
x,y,z |
1_555 |
2 |
1 |
184 |
27.5 |
0.9 |
0.654 |
1 |
0 |
0 |
0.000 |
37 |
41 |
|
[CO2]A:505 |
2 |
1 |
146 |
f |
[CL]A:501 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.010 |
38 |
42 |
|
[GOL]A:508 |
3 |
1 |
221 |
f |
[CO2]A:505 |
x,y,z |
1_555 |
2 |
1 |
146 |
18.7 |
-0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[GOL]B:510 |
3 |
1 |
222 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17115 |
11.3 |
0.5 |
0.688 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z+1 |
1_456 |
2 |
1 |
16889 |
8.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
[EDO]B:506 |
1 |
1 |
183 |
f |
[EDO]B:502 |
x,y,z |
1_555 |
2 |
1 |
184 |
2.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
|