## |
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 |
|
C |
138 |
41 |
15619 |
◊ |
A |
x,y,z |
1_555 |
148 |
42 |
17437 |
1326.6 |
-13.2 |
0.134 |
18 |
8 |
0 |
0.463 |
2 |
|
D |
141 |
40 |
17185 |
◊ |
B |
x,y,z |
1_555 |
134 |
40 |
15383 |
1294.9 |
-15.6 |
0.067 |
17 |
7 |
0 |
0.463 |
Average: |
1310.8 |
-14.4 |
0.101 |
18 |
8 |
0 |
0.463 |
2 |
3 |
|
A |
78 |
20 |
17437 |
◊ |
D |
x-1,y,z |
1_455 |
80 |
27 |
17185 |
753.3 |
2.1 |
0.837 |
14 |
10 |
0 |
0.000 |
4 |
|
D |
84 |
21 |
17185 |
◊ |
A |
x,y,z |
1_555 |
82 |
28 |
17437 |
746.4 |
0.6 |
0.766 |
12 |
8 |
0 |
0.000 |
Average: |
749.8 |
1.3 |
0.801 |
13 |
9 |
0 |
0.000 |
3 |
5 |
|
C |
67 |
18 |
15619 |
◊ |
B |
x-1,y+1,z+1 |
1_466 |
67 |
19 |
15383 |
625.3 |
-9.5 |
0.077 |
5 |
1 |
0 |
0.000 |
4 |
6 |
|
C |
49 |
14 |
15619 |
◊ |
B |
x-1,y+1,z |
1_465 |
48 |
12 |
15383 |
446.3 |
1.0 |
0.712 |
8 |
8 |
0 |
0.000 |
5 |
7 |
|
D |
37 |
9 |
17185 |
x |
D |
x-1,y,z |
1_455 |
40 |
13 |
17185 |
377.5 |
-2.5 |
0.370 |
6 |
0 |
0 |
0.000 |
8 |
|
A |
36 |
8 |
17437 |
x |
A |
x-1,y,z |
1_455 |
40 |
13 |
17437 |
367.0 |
-2.4 |
0.375 |
7 |
0 |
0 |
0.000 |
Average: |
372.3 |
-2.5 |
0.373 |
7 |
0 |
0 |
0.000 |
6 |
9 |
|
C |
33 |
13 |
15619 |
◊ |
D |
x-1,y+1,z |
1_465 |
37 |
16 |
17185 |
304.5 |
-0.1 |
0.683 |
4 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
33 |
12 |
15383 |
◊ |
A |
x,y,z |
1_555 |
35 |
16 |
17437 |
277.8 |
2.0 |
0.842 |
4 |
3 |
0 |
0.000 |
11 |
|
C |
28 |
11 |
15619 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
14 |
17185 |
244.3 |
0.9 |
0.738 |
3 |
3 |
0 |
0.000 |
Average: |
261.1 |
1.5 |
0.790 |
4 |
3 |
0 |
0.000 |
8 |
12 |
|
[PO4]C:501 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
18 |
12 |
15619 |
120.1 |
-10.2 |
0.442 |
6 |
0 |
0 |
0.254 |
9 |
13 |
|
[PO4]B:501 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
12 |
15383 |
118.6 |
-10.1 |
0.456 |
7 |
0 |
0 |
0.252 |
10 |
14 |
|
[GOL]A:503 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
17437 |
118.4 |
-1.0 |
0.458 |
2 |
0 |
0 |
0.038 |
11 |
15 |
|
[PO4]A:501 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
17437 |
117.0 |
-8.3 |
0.682 |
8 |
0 |
0 |
0.234 |
12 |
16 |
|
[PO4]D:501 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
17 |
11 |
17185 |
116.1 |
-8.2 |
0.705 |
7 |
0 |
0 |
0.217 |
13 |
17 |
|
[GOL]C:502 |
6 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
15619 |
101.3 |
0.7 |
0.634 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[IOD]D:502 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
17185 |
76.9 |
0.8 |
0.906 |
0 |
0 |
0 |
0.000 |
19 |
|
[IOD]A:502 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
17437 |
76.5 |
1.0 |
0.926 |
0 |
0 |
0 |
0.000 |
Average: |
76.7 |
0.9 |
0.916 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]C:502 |
5 |
1 |
217 |
f |
D |
x-1,y,z |
1_455 |
13 |
6 |
17185 |
76.2 |
-0.3 |
0.560 |
3 |
0 |
0 |
0.032 |
16 |
21 |
|
[IOD]B:502 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
15383 |
75.1 |
0.3 |
0.814 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[GOL]B:504 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
17437 |
70.4 |
0.4 |
0.670 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]B:504 |
4 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15383 |
69.9 |
0.1 |
0.662 |
1 |
0 |
0 |
0.006 |
19 |
24 |
|
[IOD]D:506 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
17185 |
66.8 |
-0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[IOD]D:505 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
17185 |
66.5 |
-0.3 |
0.649 |
0 |
0 |
0 |
0.006 |
21 |
26 |
|
[IOD]D:503 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
17185 |
66.5 |
0.3 |
0.822 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
C |
11 |
4 |
15619 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
3 |
17437 |
65.6 |
-0.1 |
0.597 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
6 |
2 |
15383 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
17185 |
34.2 |
0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
Average: |
49.9 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[IOD]A:504 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
17437 |
62.8 |
0.2 |
0.797 |
0 |
0 |
0 |
0.000 |
30 |
|
[IOD]D:508 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
12 |
2 |
17185 |
62.5 |
0.2 |
0.804 |
0 |
0 |
0 |
0.000 |
Average: |
62.6 |
0.2 |
0.800 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[IOD]B:505 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
15383 |
62.2 |
-0.4 |
0.630 |
0 |
0 |
0 |
0.017 |
32 |
|
A |
12 |
3 |
17437 |
f |
[IOD]D:507 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
61.2 |
-0.4 |
0.621 |
0 |
0 |
0 |
0.017 |
33 |
|
[IOD]D:504 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
17185 |
54.5 |
-0.5 |
0.604 |
0 |
0 |
0 |
0.017 |
Average: |
59.3 |
-0.4 |
0.618 |
0 |
0 |
0 |
0.017 |
25 |
34 |
|
[IOD]A:504 |
1 |
1 |
144 |
f |
D |
x-1,y,z |
1_455 |
9 |
2 |
17185 |
41.7 |
-0.3 |
0.636 |
0 |
0 |
0 |
0.007 |
35 |
|
[IOD]D:508 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
17437 |
39.7 |
-0.3 |
0.662 |
0 |
0 |
0 |
0.007 |
Average: |
40.7 |
-0.3 |
0.649 |
0 |
0 |
0 |
0.007 |
26 |
36 |
|
[GOL]B:504 |
3 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
17185 |
38.5 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
B |
5 |
3 |
15383 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
17437 |
37.4 |
0.6 |
0.731 |
1 |
1 |
0 |
0.000 |
28 |
38 |
|
C |
5 |
1 |
15619 |
◊ |
[IOD]B:505 |
x-1,y+1,z |
1_465 |
1 |
1 |
144 |
35.9 |
0.4 |
0.909 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
A |
8 |
2 |
17437 |
f |
[IOD]D:502 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
35.4 |
-0.2 |
0.701 |
0 |
0 |
0 |
0.003 |
40 |
|
[IOD]A:502 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
7 |
1 |
17185 |
34.6 |
-0.2 |
0.697 |
0 |
0 |
0 |
0.003 |
Average: |
35.0 |
-0.2 |
0.699 |
0 |
0 |
0 |
0.003 |
30 |
41 |
|
C |
5 |
2 |
15619 |
◊ |
[IOD]D:507 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
32.7 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.010 |
42 |
|
[IOD]B:505 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
17185 |
31.3 |
-0.3 |
0.547 |
0 |
0 |
0 |
0.010 |
43 |
|
[IOD]D:504 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
15383 |
30.5 |
-0.3 |
0.609 |
0 |
0 |
0 |
0.010 |
Average: |
31.5 |
-0.3 |
0.589 |
0 |
0 |
0 |
0.010 |
31 |
44 |
|
C |
3 |
2 |
15619 |
f |
[IOD]D:506 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
30.3 |
-0.4 |
0.438 |
0 |
0 |
0 |
0.007 |
32 |
45 |
|
[GOL]B:504 |
3 |
1 |
220 |
◊ |
[IOD]D:504 |
x,y,z |
1_555 |
1 |
1 |
144 |
28.6 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
A |
4 |
2 |
17437 |
◊ |
B |
x-1,y+1,z |
1_465 |
2 |
1 |
15383 |
22.7 |
-0.1 |
0.360 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[IOD]D:507 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17185 |
22.7 |
0.9 |
0.983 |
0 |
0 |
0 |
0.000 |
48 |
|
[IOD]D:504 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17437 |
21.0 |
0.9 |
0.983 |
0 |
0 |
0 |
0.000 |
Average: |
21.9 |
0.9 |
0.983 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
C |
2 |
2 |
15619 |
◊ |
[IOD]D:505 |
x-1,y+1,z |
1_465 |
1 |
1 |
144 |
8.4 |
0.1 |
0.837 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[IOD]A:504 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17185 |
6.4 |
-0.1 |
0.518 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
1 |
1 |
17437 |
◊ |
[IOD]D:508 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
3.5 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
Average: |
4.9 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
|