## |
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 |
352 |
84 |
15929 |
◊ |
A |
x,y,z |
1_555 |
342 |
85 |
15527 |
3188.0 |
-45.8 |
0.013 |
21 |
7 |
0 |
1.000 |
2 |
2 |
|
B |
36 |
11 |
15929 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
28 |
9 |
15527 |
301.8 |
-4.4 |
0.183 |
1 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
33 |
10 |
15929 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
11 |
15527 |
296.5 |
-2.4 |
0.476 |
0 |
2 |
0 |
0.000 |
4 |
4 |
|
[H2U]A:402 |
19 |
1 |
458 |
f |
A |
x,y,z |
1_555 |
44 |
17 |
15527 |
290.2 |
-4.2 |
0.445 |
4 |
0 |
0 |
1.000 |
5 |
|
[H2U]B:402 |
19 |
1 |
457 |
f |
B |
x,y,z |
1_555 |
42 |
17 |
15929 |
288.2 |
-4.2 |
0.420 |
5 |
0 |
0 |
1.000 |
Average: |
289.2 |
-4.2 |
0.432 |
5 |
0 |
0 |
1.000 |
5 |
6 |
|
A |
30 |
10 |
15527 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
34 |
10 |
15527 |
255.7 |
2.5 |
0.890 |
2 |
1 |
0 |
0.000 |
6 |
7 |
|
[G1P]A:416 |
11 |
1 |
376 |
f |
B |
x,y,z |
1_555 |
20 |
9 |
15929 |
136.7 |
-1.1 |
0.667 |
1 |
0 |
0 |
0.285 |
8 |
|
[G1P]B:418 |
10 |
1 |
371 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
15527 |
134.5 |
-1.0 |
0.666 |
1 |
0 |
0 |
0.285 |
Average: |
135.6 |
-1.0 |
0.667 |
1 |
0 |
0 |
0.285 |
7 |
9 |
|
[G1P]B:418 |
13 |
1 |
371 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
15929 |
126.5 |
1.1 |
0.738 |
2 |
0 |
0 |
0.000 |
10 |
|
[G1P]A:416 |
10 |
1 |
376 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
15527 |
124.5 |
1.5 |
0.763 |
3 |
0 |
0 |
0.000 |
Average: |
125.5 |
1.3 |
0.751 |
3 |
0 |
0 |
0.000 |
8 |
11 |
|
[EDO]A:408 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
15527 |
118.4 |
5.5 |
0.840 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[EDO]B:405 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
15929 |
116.1 |
5.4 |
0.833 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
[EDO]A:403 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
15527 |
111.7 |
3.3 |
0.476 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[EDO]A:410 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
15527 |
104.2 |
2.3 |
0.418 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[EDO]A:406 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
15527 |
103.7 |
3.0 |
0.513 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]A:412 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
15527 |
101.8 |
3.9 |
0.570 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[EDO]B:415 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
15929 |
99.0 |
4.0 |
0.663 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
[EDO]A:404 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15527 |
99.0 |
2.8 |
0.412 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[EDO]B:411 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15929 |
98.5 |
2.0 |
0.261 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[EDO]B:412 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15929 |
97.5 |
3.7 |
0.548 |
0 |
0 |
0 |
0.000 |
18 |
21 |
|
[EDO]B:403 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15929 |
97.4 |
3.9 |
0.572 |
2 |
0 |
0 |
0.000 |
19 |
22 |
|
[EDO]A:407 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
15527 |
92.4 |
2.7 |
0.318 |
1 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]A:405 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
15527 |
89.4 |
3.1 |
0.510 |
0 |
0 |
0 |
0.000 |
21 |
24 |
|
B |
9 |
3 |
15929 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
8 |
4 |
15527 |
89.1 |
0.5 |
0.707 |
0 |
1 |
0 |
0.000 |
22 |
25 |
|
[EDO]B:410 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15929 |
88.4 |
2.3 |
0.282 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[EDO]B:414 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
15929 |
81.5 |
2.3 |
0.272 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[EDO]B:408 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
15929 |
76.6 |
2.0 |
0.291 |
0 |
0 |
0 |
0.000 |
25 |
28 |
|
[EDO]B:406 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
15929 |
76.4 |
2.7 |
0.948 |
1 |
0 |
0 |
0.000 |
26 |
29 |
|
[EDO]A:411 |
4 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
5 |
15527 |
76.0 |
2.7 |
0.329 |
0 |
0 |
0 |
0.000 |
27 |
30 |
|
[EDO]B:413 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
15929 |
75.9 |
1.8 |
0.807 |
1 |
0 |
0 |
0.000 |
28 |
31 |
|
[EDO]B:417 |
4 |
1 |
182 |
f |
A |
x-1/2,-y-1/2,-z |
4_445 |
11 |
3 |
15527 |
67.0 |
1.9 |
0.884 |
2 |
0 |
0 |
0.000 |
29 |
32 |
|
[EDO]B:404 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
15929 |
66.9 |
2.7 |
0.958 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[EDO]A:411 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
15527 |
64.8 |
1.7 |
0.302 |
1 |
0 |
0 |
0.000 |
31 |
34 |
|
[EDO]B:416 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
15929 |
64.6 |
2.5 |
0.967 |
1 |
0 |
0 |
0.000 |
32 |
35 |
|
A |
6 |
1 |
15527 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
15929 |
63.9 |
-0.5 |
0.461 |
0 |
0 |
0 |
0.000 |
33 |
36 |
|
[EDO]A:413 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15527 |
63.7 |
1.4 |
0.803 |
0 |
0 |
0 |
0.000 |
34 |
37 |
|
[EDO]A:409 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15527 |
63.2 |
1.6 |
0.902 |
0 |
0 |
0 |
0.000 |
35 |
38 |
|
A |
12 |
4 |
15527 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
2 |
15929 |
62.1 |
0.3 |
0.742 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[EDO]B:417 |
3 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
15929 |
61.8 |
1.7 |
0.262 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
[EDO]B:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
2 |
15527 |
61.7 |
1.0 |
0.624 |
0 |
0 |
0 |
0.000 |
38 |
41 |
|
[EDO]A:414 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
15527 |
60.1 |
1.5 |
0.912 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[EDO]B:407 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
15929 |
59.9 |
1.8 |
0.932 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[EDO]A:413 |
2 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
15527 |
55.9 |
2.1 |
0.651 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[G1P]A:416 |
5 |
1 |
376 |
f |
[H2U]B:402 |
x,y,z |
1_555 |
8 |
1 |
457 |
53.4 |
-3.4 |
0.329 |
0 |
0 |
0 |
0.637 |
45 |
|
[G1P]B:418 |
5 |
1 |
371 |
f |
[H2U]A:402 |
x,y,z |
1_555 |
8 |
1 |
458 |
52.1 |
-3.2 |
0.351 |
0 |
0 |
0 |
0.637 |
Average: |
52.8 |
-3.3 |
0.340 |
0 |
0 |
0 |
0.637 |
42 |
46 |
|
[EDO]B:409 |
3 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
15929 |
48.4 |
1.3 |
0.925 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
[EDO]A:415 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
15527 |
44.3 |
1.8 |
0.964 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
[EDO]A:415 |
4 |
1 |
185 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
15527 |
43.1 |
0.9 |
0.802 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[EDO]A:405 |
4 |
1 |
184 |
f |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
15527 |
43.0 |
1.3 |
0.949 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[EDO]A:414 |
4 |
1 |
184 |
f |
[EDO]A:412 |
x,y,z |
1_555 |
3 |
1 |
186 |
37.1 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[EDO]B:409 |
4 |
1 |
184 |
f |
[EDO]B:403 |
x,y,z |
1_555 |
3 |
1 |
184 |
34.6 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
B |
7 |
3 |
15929 |
x |
B |
x-1,y,z |
1_455 |
2 |
1 |
15929 |
32.6 |
1.4 |
0.795 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[EDO]B:409 |
2 |
1 |
184 |
f |
[EDO]B:408 |
x,y,z |
1_555 |
3 |
1 |
184 |
32.6 |
1.5 |
1.000 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[EDO]B:410 |
3 |
1 |
184 |
f |
[EDO]B:404 |
x,y,z |
1_555 |
2 |
1 |
184 |
30.5 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[EDO]A:407 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
15929 |
29.4 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.002 |
52 |
56 |
|
[EDO]A:406 |
1 |
1 |
185 |
f |
[EDO]A:405 |
x,y,z |
1_555 |
2 |
1 |
184 |
22.2 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[EDO]A:411 |
4 |
1 |
186 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
3 |
15929 |
21.6 |
0.4 |
0.893 |
0 |
0 |
0 |
0.000 |
54 |
58 |
|
A |
5 |
2 |
15527 |
f |
[EDO]A:410 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
185 |
20.6 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
55 |
59 |
|
A |
4 |
1 |
15527 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
15929 |
19.4 |
-0.4 |
0.471 |
0 |
0 |
0 |
0.000 |
56 |
60 |
|
A |
4 |
2 |
15527 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
15527 |
14.9 |
-0.3 |
0.411 |
0 |
0 |
0 |
0.000 |
57 |
61 |
|
[EDO]B:416 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
15527 |
12.5 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.003 |
58 |
62 |
|
[G1P]A:416 |
3 |
1 |
376 |
f |
[EDO]A:408 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.5 |
0.3 |
0.788 |
0 |
0 |
0 |
0.000 |
59 |
63 |
|
[EDO]A:415 |
2 |
1 |
185 |
f |
[EDO]A:413 |
x,y,z |
1_555 |
1 |
1 |
186 |
8.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
60 |
64 |
|
[G1P]B:418 |
3 |
1 |
371 |
f |
[EDO]B:405 |
x,y,z |
1_555 |
1 |
1 |
186 |
7.7 |
0.1 |
0.775 |
0 |
0 |
0 |
0.000 |
61 |
65 |
|
[EDO]A:411 |
2 |
1 |
186 |
◊ |
[EDO]A:410 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
185 |
6.3 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
66 |
|
[EDO]B:417 |
2 |
1 |
182 |
f |
[EDO]B:414 |
x,y,z |
1_555 |
1 |
1 |
183 |
6.0 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
67 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15929 |
1.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.045 |
|