## |
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 |
|
A |
107 |
30 |
13264 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
114 |
28 |
13353 |
1013.7 |
-10.1 |
0.214 |
19 |
4 |
0 |
0.630 |
2 |
|
D |
113 |
30 |
13249 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
114 |
27 |
13217 |
1013.1 |
-9.7 |
0.266 |
20 |
4 |
0 |
0.630 |
Average: |
1013.4 |
-9.9 |
0.240 |
20 |
4 |
0 |
0.630 |
2 |
3 |
|
D |
104 |
26 |
13249 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
98 |
28 |
13264 |
823.1 |
-14.2 |
0.070 |
5 |
0 |
0 |
0.429 |
3 |
4 |
|
C |
62 |
19 |
13353 |
◊ |
A |
x,y,z |
1_555 |
55 |
18 |
13264 |
548.7 |
-1.7 |
0.587 |
4 |
6 |
0 |
0.000 |
5 |
|
B |
66 |
21 |
13217 |
◊ |
D |
-y+1,x-y,z-2/3 |
2_654 |
55 |
19 |
13249 |
545.5 |
-3.2 |
0.519 |
6 |
4 |
0 |
0.000 |
Average: |
547.1 |
-2.5 |
0.553 |
5 |
5 |
0 |
0.000 |
4 |
6 |
|
C |
54 |
20 |
13353 |
◊ |
B |
x,y,z |
1_555 |
53 |
20 |
13217 |
474.1 |
3.9 |
0.910 |
10 |
4 |
0 |
0.000 |
5 |
7 |
|
[ZZL]A:1390 |
34 |
1 |
663 |
f |
A |
x,y,z |
1_555 |
55 |
25 |
13264 |
448.2 |
-8.2 |
0.372 |
1 |
0 |
0 |
0.568 |
8 |
|
[ZZL]D:1390 |
34 |
1 |
666 |
f |
D |
x,y,z |
1_555 |
56 |
25 |
13249 |
447.4 |
-8.2 |
0.377 |
1 |
0 |
0 |
0.568 |
9 |
|
[ZZL]B:1390 |
34 |
1 |
667 |
f |
B |
x,y,z |
1_555 |
51 |
26 |
13217 |
432.2 |
-8.2 |
0.403 |
1 |
0 |
0 |
0.568 |
10 |
|
[ZZL]C:1392 |
34 |
1 |
666 |
f |
C |
x,y,z |
1_555 |
56 |
27 |
13353 |
416.2 |
-8.4 |
0.379 |
1 |
0 |
0 |
0.568 |
Average: |
436.0 |
-8.3 |
0.383 |
1 |
0 |
0 |
0.568 |
6 |
11 |
|
D |
37 |
11 |
13249 |
◊ |
B |
x,y,z |
1_555 |
35 |
8 |
13217 |
335.1 |
-3.2 |
0.381 |
2 |
1 |
0 |
0.000 |
12 |
|
C |
33 |
8 |
13353 |
◊ |
A |
-y,x-y,z-2/3 |
2_554 |
36 |
11 |
13264 |
327.7 |
-3.2 |
0.367 |
2 |
1 |
0 |
0.000 |
Average: |
331.4 |
-3.2 |
0.374 |
2 |
1 |
0 |
0.000 |
7 |
13 |
|
A |
19 |
7 |
13264 |
x |
A |
-y,x-y,z+1/3 |
2_555 |
16 |
6 |
13264 |
134.7 |
-0.8 |
0.500 |
1 |
0 |
0 |
0.000 |
14 |
|
D |
14 |
6 |
13249 |
x |
D |
-y+1,x-y,z+1/3 |
2_655 |
17 |
6 |
13249 |
131.3 |
-0.9 |
0.465 |
1 |
0 |
0 |
0.000 |
Average: |
133.0 |
-0.8 |
0.483 |
1 |
0 |
0 |
0.000 |
8 |
15 |
|
[EDO]B:1396 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
13217 |
133.2 |
2.5 |
0.379 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[EDO]C:1395 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
13353 |
124.2 |
4.1 |
0.523 |
3 |
0 |
0 |
0.000 |
10 |
17 |
|
[ACT]B:1392 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
13217 |
117.4 |
-0.5 |
0.632 |
1 |
0 |
0 |
0.031 |
11 |
18 |
|
[ACT]C:1394 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
13353 |
110.6 |
0.1 |
0.641 |
1 |
0 |
0 |
0.010 |
12 |
19 |
|
[ACT]A:1392 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
13264 |
110.6 |
-0.2 |
0.622 |
0 |
0 |
0 |
0.004 |
13 |
20 |
|
[DMS]A:1394 |
4 |
1 |
212 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
13264 |
110.0 |
2.0 |
0.507 |
2 |
0 |
0 |
0.000 |
21 |
|
[DMS]B:1391 |
4 |
1 |
211 |
◊ |
D |
-y+1,x-y,z-2/3 |
2_654 |
14 |
6 |
13249 |
109.3 |
2.1 |
0.514 |
2 |
0 |
0 |
0.000 |
Average: |
109.6 |
2.0 |
0.510 |
2 |
0 |
0 |
0.000 |
14 |
22 |
|
[ACT]A:1393 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
13264 |
108.8 |
-1.1 |
0.548 |
2 |
0 |
0 |
0.110 |
23 |
|
[ACT]D:1393 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
13249 |
103.9 |
-1.4 |
0.485 |
2 |
0 |
0 |
0.110 |
Average: |
106.3 |
-1.2 |
0.517 |
2 |
0 |
0 |
0.110 |
15 |
24 |
|
[ACT]D:1392 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
13249 |
107.9 |
-0.6 |
0.572 |
0 |
0 |
0 |
0.019 |
16 |
25 |
|
[ACT]C:1393 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
13353 |
103.7 |
-1.0 |
0.549 |
2 |
0 |
0 |
0.052 |
17 |
26 |
|
[ACT]B:1400 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
13217 |
103.7 |
-0.8 |
0.586 |
2 |
0 |
0 |
0.054 |
18 |
27 |
|
[ACT]B:1393 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
13217 |
101.6 |
-0.1 |
0.634 |
1 |
0 |
0 |
0.017 |
19 |
28 |
|
[EDO]B:1395 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
13217 |
92.8 |
2.1 |
0.260 |
4 |
0 |
0 |
0.000 |
20 |
29 |
|
[EDO]B:1398 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
13217 |
91.7 |
2.9 |
0.496 |
2 |
0 |
0 |
0.000 |
21 |
30 |
|
[EDO]B:1394 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
13217 |
86.6 |
1.5 |
0.230 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[EDO]D:1391 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
13249 |
82.2 |
2.3 |
0.272 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[EDO]C:1391 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
13353 |
81.3 |
2.8 |
0.536 |
1 |
0 |
0 |
0.000 |
24 |
33 |
|
[EDO]C:1391 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
13217 |
80.6 |
2.6 |
0.308 |
1 |
0 |
0 |
0.000 |
25 |
34 |
|
[EDO]A:1391 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
6 |
13264 |
77.9 |
2.8 |
0.307 |
2 |
0 |
0 |
0.000 |
26 |
35 |
|
[EDO]B:1397 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
13217 |
77.4 |
1.6 |
0.735 |
2 |
0 |
0 |
0.000 |
27 |
36 |
|
[EDO]C:1390 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
13353 |
74.7 |
2.1 |
0.265 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
[ACT]B:1393 |
4 |
1 |
185 |
f |
[ZZL]B:1390 |
x,y,z |
1_555 |
13 |
1 |
667 |
68.4 |
-1.5 |
0.502 |
0 |
0 |
0 |
0.048 |
29 |
38 |
|
[EDO]B:1399 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
13217 |
67.0 |
2.2 |
0.275 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[ACT]D:1392 |
4 |
1 |
184 |
f |
[ZZL]D:1390 |
x,y,z |
1_555 |
10 |
1 |
666 |
62.0 |
-1.4 |
0.496 |
0 |
0 |
0 |
0.046 |
31 |
40 |
|
[ACT]A:1392 |
4 |
1 |
186 |
f |
[ZZL]A:1390 |
x,y,z |
1_555 |
11 |
1 |
663 |
60.4 |
-1.1 |
0.528 |
1 |
0 |
0 |
0.042 |
32 |
41 |
|
[DMS]B:1391 |
4 |
1 |
211 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
13217 |
57.7 |
0.7 |
0.236 |
0 |
0 |
0 |
0.000 |
42 |
|
[DMS]A:1394 |
4 |
1 |
212 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
13353 |
57.3 |
0.7 |
0.217 |
0 |
0 |
0 |
0.000 |
Average: |
57.5 |
0.7 |
0.227 |
0 |
0 |
0 |
0.000 |
33 |
43 |
|
[EDO]C:1390 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
13264 |
57.2 |
1.6 |
0.836 |
1 |
0 |
0 |
0.000 |
34 |
44 |
|
[ACT]C:1394 |
4 |
1 |
185 |
f |
[ZZL]C:1392 |
x,y,z |
1_555 |
9 |
1 |
666 |
56.3 |
-1.2 |
0.498 |
1 |
0 |
0 |
0.044 |
35 |
45 |
|
[EDO]A:1391 |
4 |
1 |
185 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
11 |
4 |
13264 |
54.3 |
0.6 |
0.714 |
0 |
0 |
0 |
0.000 |
36 |
46 |
|
[ZZL]A:1390 |
6 |
1 |
663 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
6 |
1 |
13353 |
53.7 |
0.3 |
0.625 |
0 |
0 |
0 |
0.032 |
47 |
|
[ZZL]D:1390 |
5 |
1 |
666 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
5 |
1 |
13217 |
50.5 |
-1.0 |
0.321 |
0 |
0 |
0 |
0.032 |
Average: |
52.1 |
-0.3 |
0.473 |
0 |
0 |
0 |
0.032 |
37 |
48 |
|
D |
5 |
4 |
13249 |
f |
[EDO]B:1398 |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
186 |
50.0 |
1.5 |
0.634 |
1 |
0 |
0 |
0.000 |
38 |
49 |
|
[EDO]B:1399 |
4 |
1 |
185 |
◊ |
D |
-y+1,x-y,z-2/3 |
2_654 |
6 |
3 |
13249 |
49.1 |
1.1 |
0.815 |
2 |
0 |
0 |
0.000 |
39 |
50 |
|
[EDO]B:1397 |
3 |
1 |
184 |
◊ |
D |
-y+1,x-y,z-2/3 |
2_654 |
5 |
2 |
13249 |
44.1 |
1.4 |
0.271 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[EDO]B:1394 |
3 |
1 |
185 |
f |
D |
-y+1,x-y,z-2/3 |
2_654 |
6 |
2 |
13249 |
40.7 |
0.9 |
0.804 |
2 |
0 |
0 |
0.000 |
41 |
52 |
|
[EDO]B:1399 |
4 |
1 |
185 |
◊ |
[EDO]B:1394 |
x,y,z |
1_555 |
2 |
1 |
185 |
32.5 |
1.2 |
1.000 |
1 |
0 |
0 |
0.000 |
42 |
53 |
|
D |
3 |
2 |
13249 |
◊ |
[EDO]B:1395 |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
184 |
31.7 |
1.5 |
0.669 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
C |
5 |
1 |
13353 |
f |
[EDO]A:1391 |
-y,x-y,z-2/3 |
2_554 |
3 |
1 |
185 |
30.0 |
0.3 |
0.693 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
D |
2 |
1 |
13249 |
◊ |
C |
-y,x-y,z+1/3 |
2_555 |
2 |
1 |
13353 |
21.7 |
0.4 |
0.432 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
4 |
2 |
13264 |
◊ |
B |
-y,x-y-1,z+1/3 |
2_545 |
3 |
1 |
13217 |
5.9 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
Average: |
13.8 |
0.2 |
0.525 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[DMS]A:1394 |
2 |
1 |
212 |
f |
[EDO]C:1390 |
x,y,z |
1_555 |
1 |
1 |
184 |
9.8 |
0.4 |
0.661 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[DMS]B:1391 |
2 |
1 |
211 |
f |
[EDO]B:1399 |
x,y,z |
1_555 |
2 |
1 |
185 |
8.8 |
0.3 |
0.661 |
0 |
0 |
0 |
0.000 |
|