## |
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 |
|
D |
187 |
54 |
16868 |
◊ |
C |
x,y,z |
1_555 |
173 |
45 |
6863 |
1687.8 |
-12.3 |
0.331 |
25 |
13 |
0 |
1.000 |
2 |
|
F |
184 |
52 |
16802 |
◊ |
E |
x,y,z |
1_555 |
175 |
43 |
6637 |
1622.3 |
-13.0 |
0.348 |
24 |
13 |
0 |
1.000 |
Average: |
1655.0 |
-12.7 |
0.340 |
25 |
13 |
0 |
1.000 |
2 |
3 |
|
D |
130 |
37 |
16868 |
◊ |
E |
x,y,z |
1_555 |
131 |
43 |
6637 |
1281.9 |
-7.7 |
0.157 |
22 |
4 |
0 |
0.382 |
4 |
|
F |
129 |
36 |
16802 |
◊ |
C |
x,y,z |
1_555 |
138 |
43 |
6863 |
1265.8 |
-8.5 |
0.144 |
20 |
4 |
0 |
0.382 |
Average: |
1273.9 |
-8.1 |
0.150 |
21 |
4 |
0 |
0.382 |
3 |
5 |
|
C |
96 |
31 |
6863 |
◊ |
A |
x,y,z |
1_555 |
79 |
26 |
16086 |
867.6 |
-6.3 |
0.387 |
11 |
5 |
0 |
0.094 |
6 |
|
E |
83 |
25 |
6637 |
◊ |
B |
x,y,z |
1_555 |
79 |
25 |
16093 |
788.4 |
-8.4 |
0.266 |
13 |
2 |
0 |
0.094 |
Average: |
828.0 |
-7.3 |
0.326 |
12 |
4 |
0 |
0.094 |
4 |
7 |
|
F |
72 |
22 |
16802 |
◊ |
D |
x,y,z |
1_555 |
70 |
21 |
16868 |
663.3 |
-1.9 |
0.581 |
6 |
14 |
0 |
0.070 |
5 |
8 |
|
[HEC]A:402 |
43 |
1 |
859 |
cf |
A |
x,y,z |
1_555 |
81 |
34 |
16086 |
624.3 |
-21.1 |
0.463 |
6 |
0 |
0 |
0.168 |
9 |
|
[HEC]B:402 |
43 |
1 |
854 |
cf |
B |
x,y,z |
1_555 |
82 |
33 |
16093 |
619.0 |
-21.0 |
0.491 |
5 |
0 |
0 |
0.168 |
Average: |
621.7 |
-21.0 |
0.477 |
6 |
0 |
0 |
0.168 |
6 |
10 |
|
[HEC]A:403 |
43 |
1 |
853 |
cf |
A |
x,y,z |
1_555 |
79 |
33 |
16086 |
606.7 |
-24.2 |
0.189 |
3 |
0 |
0 |
0.182 |
11 |
|
[HEC]B:403 |
43 |
1 |
847 |
cf |
B |
x,y,z |
1_555 |
82 |
33 |
16093 |
603.2 |
-23.9 |
0.238 |
3 |
0 |
0 |
0.182 |
Average: |
604.9 |
-24.0 |
0.213 |
3 |
0 |
0 |
0.182 |
7 |
12 |
|
D |
46 |
14 |
16868 |
◊ |
A |
x,y,z |
1_555 |
42 |
13 |
16086 |
404.8 |
0.1 |
0.673 |
4 |
2 |
0 |
0.016 |
13 |
|
F |
39 |
13 |
16802 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
16093 |
399.1 |
-0.0 |
0.659 |
4 |
4 |
0 |
0.016 |
Average: |
401.9 |
0.0 |
0.666 |
4 |
3 |
0 |
0.016 |
8 |
14 |
|
A |
45 |
17 |
16086 |
◊ |
B |
x,y,z-1 |
1_554 |
41 |
16 |
16093 |
328.0 |
0.7 |
0.753 |
2 |
5 |
0 |
0.000 |
9 |
15 |
|
A |
33 |
12 |
16086 |
◊ |
F |
x,y-1,z-1 |
1_544 |
36 |
13 |
16802 |
297.4 |
-1.3 |
0.536 |
1 |
3 |
0 |
0.000 |
10 |
16 |
|
E |
39 |
13 |
6637 |
◊ |
B |
x-1,y,z |
1_455 |
30 |
12 |
16093 |
288.0 |
-3.5 |
0.315 |
4 |
0 |
0 |
0.000 |
11 |
17 |
|
D |
27 |
7 |
16868 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
16093 |
270.1 |
0.4 |
0.698 |
7 |
3 |
0 |
0.019 |
18 |
|
F |
26 |
7 |
16802 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
16086 |
264.6 |
-0.2 |
0.608 |
4 |
2 |
0 |
0.019 |
Average: |
267.4 |
0.1 |
0.653 |
6 |
3 |
0 |
0.019 |
12 |
19 |
|
C |
27 |
9 |
6863 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
10 |
16086 |
234.0 |
-0.1 |
0.663 |
3 |
1 |
0 |
0.000 |
13 |
20 |
|
F |
22 |
7 |
16802 |
x |
F |
x-1,y,z |
1_455 |
22 |
6 |
16802 |
222.0 |
0.0 |
0.547 |
5 |
1 |
0 |
0.000 |
14 |
21 |
|
A |
22 |
10 |
16086 |
◊ |
B |
x,y-1,z-1 |
1_544 |
19 |
7 |
16093 |
172.1 |
-0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[PGE]A:404 |
10 |
1 |
340 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
16086 |
169.0 |
5.7 |
0.293 |
3 |
0 |
0 |
0.000 |
16 |
23 |
|
F |
10 |
5 |
16802 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
3 |
16093 |
115.0 |
-0.4 |
0.440 |
2 |
2 |
0 |
0.000 |
24 |
|
A |
8 |
3 |
16086 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
5 |
16868 |
107.1 |
-0.2 |
0.525 |
2 |
2 |
0 |
0.000 |
Average: |
111.1 |
-0.3 |
0.482 |
2 |
2 |
0 |
0.000 |
17 |
25 |
|
[EDO]B:405 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
16093 |
113.3 |
3.9 |
0.551 |
1 |
0 |
0 |
0.000 |
18 |
26 |
|
[EDO]A:405 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
16086 |
111.7 |
3.4 |
0.521 |
3 |
0 |
0 |
0.000 |
19 |
27 |
|
[ACT]D:401 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
16868 |
80.8 |
0.6 |
0.761 |
3 |
0 |
0 |
0.100 |
20 |
28 |
|
[ACT]F:401 |
4 |
1 |
182 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
16802 |
77.1 |
0.5 |
0.745 |
3 |
0 |
0 |
0.000 |
21 |
29 |
|
D |
9 |
4 |
16868 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
3 |
16093 |
75.0 |
-1.5 |
0.296 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
D |
9 |
3 |
16868 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
16086 |
70.8 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[NA]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
16086 |
65.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.074 |
32 |
|
[NA]B:407 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16093 |
65.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
65.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.074 |
24 |
33 |
|
[NA]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
16093 |
61.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.031 |
25 |
34 |
|
[PO4]B:404 |
4 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
16093 |
58.2 |
-3.5 |
0.761 |
0 |
0 |
0 |
0.013 |
26 |
35 |
|
D |
5 |
3 |
16868 |
x |
D |
x-1,y,z |
1_455 |
12 |
5 |
16868 |
56.7 |
-0.7 |
0.398 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
16093 |
45.5 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.080 |
37 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
16086 |
44.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
45.1 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.080 |
28 |
38 |
|
D |
3 |
1 |
16868 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
7 |
3 |
16093 |
43.1 |
0.3 |
0.683 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
A |
5 |
2 |
16086 |
x |
A |
x-1,y,z |
1_455 |
4 |
3 |
16086 |
38.3 |
-0.5 |
0.373 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
D |
5 |
3 |
16868 |
◊ |
F |
x,y-1,z |
1_545 |
6 |
4 |
16802 |
33.4 |
1.0 |
0.840 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[ACT]F:401 |
4 |
1 |
182 |
f |
[PO4]B:404 |
x,y,z-1 |
1_554 |
4 |
1 |
189 |
31.8 |
-1.9 |
0.836 |
0 |
0 |
0 |
0.007 |
32 |
42 |
|
F |
5 |
1 |
16802 |
◊ |
[PO4]B:404 |
x,y,z-1 |
1_554 |
4 |
1 |
189 |
29.1 |
-1.6 |
0.770 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
D |
2 |
2 |
16868 |
◊ |
F |
x-1,y-1,z |
1_445 |
3 |
1 |
16802 |
22.6 |
0.5 |
0.533 |
0 |
0 |
0 |
0.000 |
34 |
44 |
|
A |
4 |
2 |
16086 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
2 |
2 |
16093 |
20.4 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
35 |
45 |
|
[HEC]A:403 |
3 |
1 |
853 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.014 |
46 |
|
[HEC]B:403 |
3 |
1 |
847 |
f |
[CA]B:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
9.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
36 |
47 |
|
E |
4 |
2 |
6637 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
16802 |
7.7 |
0.2 |
0.770 |
0 |
0 |
0 |
0.000 |
37 |
48 |
|
[ACT]D:401 |
1 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6637 |
2.0 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[ACT]F:401 |
1 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6863 |
0.3 |
0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
|