## |
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 |
133 |
34 |
17658 |
◊ |
A |
-x+1,-y,z |
2_655 |
124 |
33 |
18127 |
1072.9 |
-1.8 |
0.712 |
22 |
13 |
0 |
0.000 |
2 |
2 |
|
D |
89 |
23 |
16536 |
◊ |
A |
x,y,z |
1_555 |
92 |
29 |
18127 |
825.3 |
-4.9 |
0.588 |
11 |
0 |
0 |
0.106 |
3 |
3 |
|
C |
71 |
19 |
17658 |
◊ |
B |
x,y,z |
1_555 |
65 |
16 |
17083 |
583.8 |
-6.5 |
0.343 |
8 |
0 |
0 |
0.109 |
4 |
4 |
|
D |
62 |
18 |
16536 |
◊ |
C |
x,y,z |
1_555 |
57 |
14 |
17658 |
552.7 |
-3.4 |
0.569 |
8 |
0 |
0 |
0.141 |
5 |
|
B |
62 |
20 |
17083 |
◊ |
A |
x,y,z |
1_555 |
58 |
13 |
18127 |
544.9 |
-2.5 |
0.605 |
8 |
0 |
0 |
0.141 |
Average: |
548.8 |
-2.9 |
0.587 |
8 |
0 |
0 |
0.141 |
5 |
6 |
|
B |
46 |
14 |
17083 |
◊ |
D |
x,y,z-1 |
1_554 |
45 |
13 |
16536 |
434.7 |
-1.7 |
0.655 |
8 |
1 |
0 |
0.000 |
6 |
7 |
|
A |
34 |
12 |
18127 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
35 |
12 |
18127 |
336.5 |
-0.7 |
0.491 |
5 |
4 |
0 |
0.000 |
7 |
8 |
|
B |
38 |
14 |
17083 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
23 |
11 |
18127 |
293.5 |
-5.2 |
0.045 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
C |
34 |
12 |
17658 |
◊ |
B |
-x+1/2,y-1/2,-z |
3_545 |
34 |
12 |
17083 |
289.1 |
2.3 |
0.796 |
4 |
1 |
0 |
0.000 |
9 |
10 |
|
D |
17 |
10 |
16536 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
14 |
5 |
18127 |
162.1 |
-0.4 |
0.622 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
[PTD]A:410 |
7 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
25 |
15 |
18127 |
158.8 |
4.4 |
0.549 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[PTD]C:407 |
7 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
17658 |
150.9 |
1.2 |
0.345 |
2 |
0 |
0 |
0.000 |
12 |
13 |
|
[PTD]A:405 |
7 |
1 |
268 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
18127 |
144.4 |
3.7 |
0.534 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[PTD]A:408 |
7 |
1 |
265 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
18127 |
138.9 |
3.8 |
0.497 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[IMD]B:405 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
17083 |
134.4 |
4.1 |
0.539 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[PTD]B:406 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
17083 |
127.7 |
2.8 |
0.468 |
1 |
0 |
0 |
0.000 |
16 |
17 |
|
[IMD]D:406 |
5 |
1 |
199 |
f |
D |
x,y,z |
1_555 |
20 |
13 |
16536 |
127.3 |
4.6 |
0.647 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[PTD]C:406 |
7 |
1 |
267 |
◊ |
C |
x,y,z |
1_555 |
17 |
9 |
17658 |
122.8 |
3.5 |
0.491 |
0 |
0 |
0 |
0.000 |
18 |
19 |
|
[IMD]D:405 |
5 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
16536 |
118.1 |
3.0 |
0.419 |
1 |
0 |
0 |
0.000 |
19 |
20 |
|
[PTD]A:409 |
7 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
18127 |
117.8 |
1.0 |
0.377 |
2 |
0 |
0 |
0.000 |
20 |
21 |
|
[PTD]A:407 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
18127 |
117.7 |
3.2 |
0.532 |
0 |
0 |
0 |
0.000 |
21 |
22 |
|
[PTD]B:407 |
7 |
1 |
268 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
17083 |
113.0 |
2.5 |
0.455 |
0 |
0 |
0 |
0.000 |
22 |
23 |
|
[PTD]A:406 |
7 |
1 |
266 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
18127 |
112.0 |
3.0 |
0.478 |
0 |
0 |
0 |
0.000 |
23 |
24 |
|
[PTD]A:406 |
7 |
1 |
266 |
f |
C |
-x+1,-y,z |
2_655 |
17 |
7 |
17658 |
110.2 |
1.3 |
0.349 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]D:408 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
16536 |
108.2 |
4.5 |
0.802 |
2 |
0 |
0 |
0.000 |
25 |
26 |
|
[K]C:408 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
17658 |
107.8 |
-71.0 |
0.000 |
0 |
0 |
0 |
0.840 |
26 |
27 |
|
[PTD]D:407 |
7 |
1 |
266 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
16536 |
107.7 |
2.0 |
0.415 |
0 |
0 |
0 |
0.000 |
27 |
28 |
|
[PTD]A:411 |
7 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
18127 |
106.5 |
1.7 |
0.315 |
0 |
0 |
0 |
0.000 |
28 |
29 |
|
[PTD]C:405 |
7 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
17658 |
104.4 |
1.2 |
0.392 |
1 |
0 |
0 |
0.000 |
29 |
30 |
|
[PTD]A:412 |
7 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18127 |
101.0 |
2.8 |
0.489 |
1 |
0 |
0 |
0.000 |
30 |
31 |
|
A |
13 |
5 |
18127 |
◊ |
[PTD]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
7 |
1 |
268 |
99.4 |
0.7 |
0.308 |
0 |
0 |
0 |
0.000 |
31 |
32 |
|
[EDO]C:409 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
17658 |
95.4 |
2.5 |
0.452 |
0 |
0 |
0 |
0.000 |
32 |
33 |
|
[EDO]B:409 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
18127 |
91.6 |
3.3 |
0.500 |
2 |
0 |
0 |
0.000 |
33 |
34 |
|
[EDO]C:410 |
4 |
1 |
184 |
◊ |
A |
-x+1,-y,z |
2_655 |
10 |
3 |
18127 |
83.7 |
1.9 |
0.201 |
1 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:414 |
4 |
1 |
184 |
◊ |
C |
-x+1,-y,z |
2_655 |
10 |
4 |
17658 |
72.2 |
1.2 |
0.202 |
1 |
0 |
0 |
0.000 |
Average: |
77.9 |
1.5 |
0.201 |
1 |
0 |
0 |
0.000 |
34 |
36 |
|
[PTD]C:406 |
7 |
1 |
267 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
17083 |
82.4 |
1.2 |
0.414 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]C:411 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
16536 |
81.0 |
3.0 |
0.528 |
1 |
0 |
0 |
0.000 |
36 |
38 |
|
[PTD]A:411 |
7 |
1 |
264 |
◊ |
C |
-x+1,-y,z |
2_655 |
7 |
3 |
17658 |
78.0 |
2.2 |
0.303 |
0 |
0 |
0 |
0.000 |
37 |
39 |
|
[NA]A:413 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18127 |
75.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.126 |
38 |
40 |
|
[EDO]A:415 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
17083 |
73.3 |
2.0 |
0.280 |
1 |
0 |
0 |
0.000 |
39 |
41 |
|
[EDO]C:411 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
17658 |
64.6 |
1.4 |
0.730 |
2 |
0 |
0 |
0.000 |
40 |
42 |
|
[EDO]A:414 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18127 |
62.6 |
1.2 |
0.746 |
2 |
0 |
0 |
0.000 |
41 |
43 |
|
[EDO]C:410 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
17658 |
62.3 |
1.1 |
0.785 |
3 |
0 |
0 |
0.003 |
42 |
44 |
|
[EDO]C:409 |
4 |
1 |
184 |
f |
A |
-x+1,-y,z |
2_655 |
10 |
2 |
18127 |
58.7 |
1.8 |
0.831 |
1 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]B:409 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17083 |
51.4 |
1.3 |
0.924 |
3 |
0 |
0 |
0.000 |
44 |
46 |
|
[NA]B:408 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
17083 |
48.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.066 |
45 |
47 |
|
[K]C:408 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
16536 |
48.0 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.279 |
46 |
48 |
|
[EDO]A:415 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
18127 |
40.3 |
1.5 |
0.971 |
1 |
0 |
0 |
0.000 |
47 |
49 |
|
[NA]B:408 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
18127 |
30.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.041 |
48 |
50 |
|
[NA]B:408 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
18127 |
30.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[EDO]A:414 |
3 |
1 |
184 |
f |
[PTD]A:411 |
x,y,z |
1_555 |
2 |
1 |
264 |
24.3 |
1.1 |
0.515 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[PTD]A:412 |
4 |
1 |
267 |
f |
[PTD]A:407 |
x,y,z |
1_555 |
1 |
1 |
261 |
23.3 |
1.0 |
0.291 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
C |
3 |
2 |
17658 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
3 |
2 |
18127 |
22.7 |
0.6 |
0.839 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[NA]A:413 |
1 |
1 |
125 |
◊ |
[PTD]A:405 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
268 |
1.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
55 |
|
B |
1 |
1 |
17083 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
16536 |
1.5 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
54 |
56 |
|
D |
1 |
1 |
16536 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17083 |
1.4 |
0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
|