## |
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 |
450 |
112 |
20893 |
◊ |
A |
x,y,z |
1_555 |
449 |
116 |
21198 |
4021.9 |
-41.5 |
0.006 |
78 |
16 |
0 |
1.000 |
2 |
2 |
|
[2HL]A:601 |
33 |
1 |
686 |
◊ |
A |
x,y,z |
1_555 |
66 |
23 |
21198 |
468.3 |
1.5 |
0.374 |
1 |
0 |
0 |
0.000 |
3 |
|
[2HL]B:601 |
32 |
1 |
691 |
◊ |
B |
x,y,z |
1_555 |
66 |
23 |
20893 |
465.2 |
1.5 |
0.383 |
1 |
0 |
0 |
0.000 |
Average: |
466.7 |
1.5 |
0.379 |
1 |
0 |
0 |
0.000 |
3 |
4 |
|
A |
39 |
12 |
21198 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
49 |
18 |
20893 |
399.3 |
2.4 |
0.731 |
7 |
3 |
0 |
0.000 |
4 |
5 |
|
A |
30 |
7 |
21198 |
x |
A |
-x,y-1/2,-z |
2_545 |
30 |
9 |
21198 |
289.9 |
-2.5 |
0.276 |
2 |
0 |
0 |
0.000 |
6 |
|
B |
30 |
9 |
20893 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
28 |
8 |
20893 |
283.4 |
-2.9 |
0.258 |
2 |
0 |
0 |
0.000 |
Average: |
286.7 |
-2.7 |
0.267 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
24 |
6 |
21198 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
6 |
20893 |
211.7 |
-3.1 |
0.180 |
2 |
0 |
0 |
0.000 |
6 |
8 |
|
[DTT]A:616 |
8 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
21198 |
153.9 |
-1.3 |
0.533 |
1 |
0 |
0 |
0.024 |
7 |
9 |
|
[DTT]A:615 |
8 |
1 |
292 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
20893 |
133.5 |
-4.1 |
0.406 |
1 |
0 |
0 |
0.420 |
8 |
10 |
|
[PO4]B:602 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
20893 |
111.7 |
-5.2 |
0.821 |
6 |
0 |
0 |
0.728 |
9 |
11 |
|
[EDO]B:608 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20893 |
110.2 |
3.8 |
0.472 |
4 |
0 |
0 |
0.000 |
10 |
12 |
|
[EDO]A:609 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
21198 |
108.7 |
3.8 |
0.460 |
2 |
0 |
0 |
0.000 |
11 |
13 |
|
[EDO]A:611 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
21198 |
108.5 |
3.6 |
0.516 |
2 |
0 |
0 |
0.000 |
12 |
14 |
|
[PO4]A:602 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
21198 |
108.2 |
-5.1 |
0.816 |
7 |
0 |
0 |
0.117 |
13 |
15 |
|
[EDO]A:608 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
21198 |
101.1 |
3.7 |
0.514 |
3 |
0 |
0 |
0.000 |
14 |
16 |
|
[EDO]A:610 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
21198 |
100.8 |
2.9 |
0.495 |
3 |
0 |
0 |
0.000 |
15 |
17 |
|
[EDO]B:605 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
20893 |
100.7 |
3.1 |
0.470 |
3 |
0 |
0 |
0.000 |
16 |
18 |
|
[EDO]B:610 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
20893 |
99.6 |
2.8 |
0.420 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[EDO]A:605 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
21198 |
99.0 |
2.7 |
0.430 |
4 |
0 |
0 |
0.000 |
18 |
20 |
|
[EDO]B:606 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
5 |
20893 |
98.2 |
2.7 |
0.287 |
4 |
0 |
0 |
0.000 |
19 |
21 |
|
[EDO]A:614 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
21198 |
97.0 |
3.0 |
0.312 |
4 |
0 |
0 |
0.000 |
20 |
22 |
|
[EDO]A:613 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
21198 |
84.3 |
2.4 |
0.416 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[EDO]A:603 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
21198 |
83.0 |
2.1 |
0.406 |
2 |
0 |
0 |
0.000 |
22 |
24 |
|
[EDO]A:607 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
20893 |
83.0 |
2.1 |
0.413 |
2 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]B:609 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
20893 |
80.8 |
2.5 |
0.290 |
1 |
0 |
0 |
0.000 |
24 |
26 |
|
[EDO]A:604 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
21198 |
80.7 |
2.3 |
0.288 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[2HL]A:601 |
11 |
1 |
686 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
20893 |
79.8 |
-1.6 |
0.212 |
0 |
0 |
0 |
0.146 |
28 |
|
[2HL]B:601 |
11 |
1 |
691 |
f |
A |
x,y,z |
1_555 |
13 |
2 |
21198 |
79.2 |
-1.5 |
0.207 |
0 |
0 |
0 |
0.146 |
Average: |
79.5 |
-1.6 |
0.209 |
0 |
0 |
0 |
0.146 |
26 |
29 |
|
[DTT]A:615 |
6 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
21198 |
78.5 |
2.3 |
0.850 |
2 |
0 |
0 |
0.000 |
27 |
30 |
|
[EDO]A:606 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
21198 |
77.1 |
2.0 |
0.247 |
1 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]B:607 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20893 |
75.7 |
1.9 |
0.234 |
2 |
0 |
0 |
0.000 |
29 |
32 |
|
[EDO]B:604 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
20893 |
75.3 |
1.8 |
0.258 |
2 |
0 |
0 |
0.000 |
30 |
33 |
|
[EDO]B:603 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
20893 |
72.6 |
2.5 |
0.310 |
3 |
0 |
0 |
0.000 |
31 |
34 |
|
[DTT]A:616 |
5 |
1 |
287 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
20893 |
69.3 |
-0.1 |
0.637 |
0 |
0 |
0 |
0.001 |
32 |
35 |
|
A |
8 |
4 |
21198 |
◊ |
[EDO]B:607 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
184 |
61.7 |
0.9 |
0.570 |
1 |
0 |
0 |
0.000 |
33 |
36 |
|
[EDO]A:613 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
20893 |
61.1 |
1.4 |
0.245 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
A |
8 |
3 |
21198 |
◊ |
[EDO]B:604 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
184 |
59.6 |
2.1 |
0.301 |
1 |
0 |
0 |
0.000 |
35 |
38 |
|
[EDO]A:607 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
21198 |
58.7 |
1.1 |
0.564 |
1 |
0 |
0 |
0.000 |
36 |
39 |
|
[EDO]A:603 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
20893 |
58.4 |
1.2 |
0.193 |
1 |
0 |
0 |
0.000 |
37 |
40 |
|
[EDO]A:612 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
21198 |
37.4 |
1.1 |
0.930 |
2 |
0 |
0 |
0.000 |
38 |
41 |
|
[EDO]B:603 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
21198 |
31.0 |
1.8 |
0.978 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[EDO]A:604 |
2 |
1 |
185 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
20893 |
31.0 |
0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[DTT]A:615 |
4 |
1 |
292 |
◊ |
[EDO]B:603 |
x,y,z |
1_555 |
3 |
1 |
184 |
30.9 |
0.7 |
0.813 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
A |
2 |
1 |
21198 |
f |
[EDO]B:609 |
x,y,z-1 |
1_554 |
2 |
1 |
185 |
30.1 |
0.5 |
0.229 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[EDO]B:607 |
2 |
1 |
184 |
f |
[EDO]B:604 |
x,y,z |
1_555 |
3 |
1 |
184 |
25.9 |
0.9 |
1.000 |
1 |
0 |
0 |
0.000 |
43 |
46 |
|
[EDO]A:606 |
2 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
20893 |
24.2 |
0.7 |
0.900 |
0 |
0 |
0 |
0.000 |
44 |
47 |
|
[EDO]A:611 |
2 |
1 |
185 |
f |
[EDO]A:608 |
x,y,z |
1_555 |
3 |
1 |
184 |
23.7 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
45 |
48 |
|
[EDO]B:603 |
3 |
1 |
184 |
f |
[PO4]A:602 |
x,y,z |
1_555 |
3 |
1 |
188 |
23.1 |
-0.9 |
0.996 |
1 |
0 |
0 |
0.019 |
46 |
49 |
|
A |
1 |
1 |
21198 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
20893 |
19.0 |
0.6 |
0.661 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
[PO4]B:602 |
4 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
21198 |
16.1 |
-0.8 |
0.809 |
0 |
0 |
0 |
0.012 |
48 |
51 |
|
[PO4]A:602 |
4 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20893 |
15.9 |
-0.8 |
0.795 |
0 |
0 |
0 |
0.011 |
49 |
52 |
|
[EDO]B:603 |
2 |
1 |
184 |
f |
[2HL]B:601 |
x,y,z |
1_555 |
3 |
1 |
691 |
14.3 |
-0.5 |
0.404 |
0 |
0 |
0 |
0.007 |
50 |
53 |
|
[DTT]A:616 |
1 |
1 |
287 |
◊ |
[2HL]A:601 |
x,y,z |
1_555 |
1 |
1 |
686 |
12.5 |
-0.1 |
0.354 |
0 |
0 |
0 |
0.000 |
51 |
54 |
|
[DTT]A:616 |
3 |
1 |
287 |
◊ |
[PO4]B:602 |
x,y,z |
1_555 |
1 |
1 |
188 |
8.3 |
-0.2 |
0.688 |
0 |
0 |
0 |
0.003 |
52 |
55 |
|
[EDO]A:612 |
1 |
1 |
184 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
20893 |
7.9 |
0.4 |
0.920 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
[DTT]A:615 |
2 |
1 |
292 |
◊ |
[PO4]A:602 |
x,y,z |
1_555 |
1 |
1 |
188 |
6.0 |
-0.2 |
0.592 |
0 |
0 |
0 |
0.002 |
54 |
57 |
|
[DTT]A:615 |
1 |
1 |
292 |
◊ |
[2HL]B:601 |
x,y,z |
1_555 |
2 |
1 |
691 |
5.7 |
-0.3 |
0.316 |
0 |
0 |
0 |
0.005 |
55 |
58 |
|
[EDO]A:605 |
1 |
1 |
183 |
f |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
20893 |
4.6 |
0.2 |
0.820 |
0 |
0 |
0 |
0.000 |
56 |
59 |
|
B |
1 |
1 |
20893 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
21198 |
1.0 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
57 |
60 |
|
B |
1 |
1 |
20893 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
20893 |
0.1 |
0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
|