## |
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 |
448 |
112 |
18126 |
◊ |
A |
x,y,z |
1_555 |
436 |
113 |
18482 |
4313.0 |
-47.4 |
0.012 |
59 |
8 |
0 |
1.000 |
2 |
|
C |
436 |
113 |
18078 |
◊ |
C |
-x,y,-z |
2_555 |
435 |
113 |
18078 |
4211.1 |
-48.1 |
0.008 |
64 |
8 |
0 |
1.000 |
Average: |
4262.0 |
-47.8 |
0.010 |
62 |
8 |
0 |
1.000 |
2 |
3 |
|
B |
69 |
20 |
18126 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
69 |
20 |
18078 |
693.5 |
-0.5 |
0.707 |
11 |
7 |
0 |
0.000 |
3 |
4 |
|
A |
62 |
18 |
18482 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
60 |
19 |
18482 |
561.3 |
2.5 |
0.772 |
4 |
2 |
0 |
0.000 |
4 |
5 |
|
C |
41 |
9 |
18078 |
◊ |
B |
x,y,z |
1_555 |
38 |
15 |
18126 |
350.0 |
-0.4 |
0.649 |
5 |
7 |
0 |
0.000 |
6 |
|
C |
37 |
14 |
18078 |
◊ |
A |
-x,y,-z |
2_555 |
39 |
8 |
18482 |
343.6 |
-0.1 |
0.679 |
6 |
7 |
0 |
0.000 |
Average: |
346.8 |
-0.3 |
0.664 |
6 |
7 |
0 |
0.000 |
5 |
7 |
|
[PLP]A:1280 |
15 |
1 |
377 |
cf |
A |
x,y,z |
1_555 |
40 |
14 |
18482 |
223.5 |
1.1 |
0.557 |
4 |
0 |
0 |
0.020 |
8 |
|
[PLP]C:1280 |
15 |
1 |
379 |
cf |
C |
x,y,z |
1_555 |
40 |
15 |
18078 |
222.0 |
1.2 |
0.579 |
4 |
0 |
0 |
0.020 |
9 |
|
[PLP]B:1280 |
15 |
1 |
382 |
cf |
B |
x,y,z |
1_555 |
37 |
14 |
18126 |
209.2 |
1.0 |
0.554 |
4 |
0 |
0 |
0.020 |
Average: |
218.2 |
1.1 |
0.563 |
4 |
0 |
0 |
0.020 |
6 |
10 |
|
[EDO]A:1450 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
18482 |
112.2 |
3.5 |
0.455 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
B |
12 |
4 |
18126 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
13 |
3 |
18482 |
110.1 |
-0.5 |
0.546 |
0 |
1 |
0 |
0.000 |
8 |
12 |
|
[EDO]B:1445 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
18126 |
109.7 |
3.7 |
0.640 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
[EDO]B:1447 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
18126 |
103.9 |
3.3 |
0.438 |
2 |
0 |
0 |
0.000 |
10 |
14 |
|
[EDO]B:1450 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
18126 |
102.8 |
3.1 |
0.480 |
3 |
0 |
0 |
0.000 |
11 |
15 |
|
[EDO]C:1448 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
18078 |
102.2 |
3.7 |
0.506 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
[GOL]A:1446 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18482 |
100.6 |
-1.2 |
0.379 |
3 |
0 |
0 |
0.057 |
13 |
17 |
|
[EDO]B:1449 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
18126 |
99.8 |
2.3 |
0.366 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
A |
14 |
4 |
18482 |
f |
[GOL]A:1449 |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
1 |
216 |
96.0 |
-0.3 |
0.542 |
3 |
0 |
0 |
0.036 |
15 |
19 |
|
[EDO]C:1451 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
18078 |
92.8 |
4.2 |
0.580 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[EDO]A:1448 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
18482 |
91.4 |
4.3 |
0.576 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
[EDO]C:1449 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
18078 |
88.3 |
1.9 |
0.346 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
C |
9 |
2 |
18078 |
◊ |
B |
-x,y,-z |
2_555 |
9 |
2 |
18126 |
79.3 |
0.4 |
0.727 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[EDO]C:1450 |
4 |
1 |
183 |
◊ |
C |
-x,y,-z |
2_555 |
17 |
5 |
18078 |
77.0 |
2.4 |
0.310 |
3 |
0 |
0 |
0.000 |
20 |
24 |
|
[EDO]B:1446 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
18126 |
75.2 |
2.6 |
0.933 |
4 |
0 |
0 |
0.000 |
21 |
25 |
|
[GOL]A:1449 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
18482 |
74.3 |
0.9 |
0.776 |
5 |
0 |
0 |
0.000 |
22 |
26 |
|
[PLP]C:1280 |
6 |
1 |
379 |
◊ |
C |
-x,y,-z |
2_555 |
10 |
5 |
18078 |
72.2 |
-1.8 |
0.370 |
2 |
0 |
0 |
0.073 |
27 |
|
[PLP]A:1280 |
6 |
1 |
377 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
18126 |
71.7 |
-1.7 |
0.365 |
2 |
0 |
0 |
0.073 |
28 |
|
[PLP]B:1280 |
6 |
1 |
382 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
18482 |
68.0 |
-1.7 |
0.369 |
2 |
0 |
0 |
0.073 |
Average: |
70.6 |
-1.7 |
0.368 |
2 |
0 |
0 |
0.073 |
23 |
29 |
|
[EDO]A:1447 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
18482 |
68.9 |
1.1 |
0.590 |
3 |
0 |
0 |
0.005 |
24 |
30 |
|
B |
9 |
2 |
18126 |
◊ |
[EDO]A:1447 |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
183 |
67.5 |
2.0 |
0.288 |
1 |
0 |
0 |
0.000 |
25 |
31 |
|
[EDO]C:1450 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
18078 |
66.8 |
1.6 |
0.223 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[EDO]B:1448 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
18126 |
66.4 |
1.5 |
0.254 |
0 |
0 |
0 |
0.000 |
27 |
33 |
|
C |
9 |
5 |
18078 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
18482 |
65.0 |
-1.7 |
0.233 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[EDO]C:1451 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18126 |
52.8 |
1.7 |
0.906 |
2 |
0 |
0 |
0.000 |
29 |
35 |
|
[EDO]A:1448 |
3 |
1 |
184 |
f |
C |
-x,y,-z |
2_555 |
9 |
3 |
18078 |
49.9 |
1.0 |
0.739 |
1 |
0 |
0 |
0.000 |
30 |
36 |
|
[EDO]B:1448 |
4 |
1 |
182 |
f |
C |
-x+1/2,y-1/2,-z |
4_545 |
13 |
6 |
18078 |
48.8 |
0.9 |
0.715 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[GOL]A:1446 |
5 |
1 |
217 |
◊ |
C |
-x,y,-z |
2_555 |
8 |
3 |
18078 |
46.5 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[EDO]C:1449 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
18126 |
38.7 |
1.3 |
0.834 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
[EDO]B:1446 |
4 |
1 |
183 |
f |
C |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
18078 |
37.3 |
0.3 |
0.389 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[GOL]A:1446 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18078 |
36.0 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
C |
4 |
2 |
18078 |
◊ |
B |
x-1/2,y+1/2,z-1 |
3_454 |
6 |
1 |
18126 |
35.6 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[EDO]C:1449 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
18482 |
32.9 |
0.9 |
0.915 |
1 |
0 |
0 |
0.000 |
37 |
43 |
|
A |
1 |
1 |
18482 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
18126 |
31.5 |
-1.0 |
0.071 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[EDO]B:1449 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18482 |
30.5 |
0.3 |
0.775 |
1 |
0 |
0 |
0.004 |
39 |
45 |
|
[EDO]B:1449 |
3 |
1 |
183 |
◊ |
[PLP]B:1280 |
x,y,z |
1_555 |
5 |
1 |
382 |
28.2 |
1.1 |
0.730 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
[EDO]A:1450 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
18126 |
20.8 |
-0.0 |
0.304 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[EDO]C:1450 |
1 |
1 |
183 |
f |
[GOL]A:1446 |
x,y,z |
1_555 |
2 |
1 |
217 |
5.6 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
[EDO]C:1448 |
1 |
1 |
185 |
f |
A |
-x,y,-z |
2_555 |
1 |
1 |
18482 |
1.2 |
0.0 |
0.847 |
0 |
0 |
0 |
0.000 |
|