## |
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 |
250 |
65 |
14900 |
◊ |
A |
x,y,z |
1_555 |
248 |
64 |
15116 |
2375.4 |
-9.8 |
0.174 |
43 |
8 |
0 |
1.000 |
2 |
|
F |
253 |
62 |
15237 |
◊ |
E |
x,y,z |
1_555 |
243 |
63 |
15182 |
2370.4 |
-10.3 |
0.133 |
41 |
7 |
0 |
1.000 |
3 |
|
G |
248 |
64 |
15197 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
247 |
64 |
15197 |
2363.3 |
-11.8 |
0.129 |
43 |
8 |
0 |
1.000 |
4 |
|
D |
247 |
65 |
15178 |
◊ |
C |
x,y,z |
1_555 |
251 |
66 |
15210 |
2330.0 |
-11.9 |
0.114 |
39 |
8 |
0 |
1.000 |
Average: |
2359.8 |
-10.9 |
0.138 |
42 |
8 |
0 |
1.000 |
2 |
5 |
|
F |
89 |
32 |
15237 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
73 |
21 |
15197 |
712.3 |
-0.5 |
0.476 |
7 |
5 |
0 |
0.000 |
3 |
6 |
|
A |
40 |
12 |
15116 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
41 |
13 |
15116 |
394.2 |
2.7 |
0.785 |
5 |
6 |
0 |
0.000 |
4 |
7 |
|
B |
40 |
11 |
14900 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
39 |
11 |
15178 |
336.2 |
4.5 |
0.905 |
10 |
4 |
0 |
0.000 |
8 |
|
E |
38 |
11 |
15182 |
◊ |
C |
x,y,z |
1_555 |
37 |
11 |
15210 |
335.0 |
4.6 |
0.904 |
8 |
4 |
0 |
0.000 |
Average: |
335.6 |
4.5 |
0.904 |
9 |
4 |
0 |
0.000 |
5 |
9 |
|
E |
39 |
9 |
15182 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
38 |
9 |
15178 |
329.2 |
-0.2 |
0.515 |
6 |
2 |
0 |
0.000 |
10 |
|
C |
38 |
8 |
15210 |
◊ |
B |
x,y,z |
1_555 |
37 |
11 |
14900 |
321.7 |
0.4 |
0.541 |
6 |
1 |
0 |
0.000 |
Average: |
325.5 |
0.1 |
0.528 |
6 |
2 |
0 |
0.000 |
6 |
11 |
|
[MTA]G:401 |
19 |
1 |
451 |
f |
G |
x,y,z |
1_555 |
53 |
23 |
15197 |
295.2 |
0.3 |
0.467 |
4 |
0 |
0 |
1.000 |
12 |
|
[MTA]D:401 |
19 |
1 |
450 |
f |
D |
x,y,z |
1_555 |
49 |
22 |
15178 |
294.7 |
0.4 |
0.463 |
4 |
0 |
0 |
1.000 |
13 |
|
[MTA]F:401 |
19 |
1 |
449 |
f |
F |
x,y,z |
1_555 |
50 |
23 |
15237 |
293.0 |
0.5 |
0.450 |
4 |
0 |
0 |
1.000 |
14 |
|
[MTA]C:401 |
19 |
1 |
449 |
f |
C |
x,y,z |
1_555 |
51 |
22 |
15210 |
292.6 |
0.7 |
0.449 |
4 |
0 |
0 |
1.000 |
15 |
|
[MTA]E:401 |
19 |
1 |
448 |
f |
E |
x,y,z |
1_555 |
48 |
21 |
15182 |
292.0 |
0.4 |
0.448 |
4 |
0 |
0 |
1.000 |
16 |
|
[MTA]A:401 |
19 |
1 |
448 |
f |
A |
x,y,z |
1_555 |
51 |
22 |
15116 |
291.7 |
0.2 |
0.446 |
5 |
0 |
0 |
1.000 |
17 |
|
[MTA]B:401 |
19 |
1 |
447 |
f |
B |
x,y,z |
1_555 |
49 |
22 |
14900 |
290.9 |
0.5 |
0.469 |
4 |
0 |
0 |
1.000 |
Average: |
292.9 |
0.4 |
0.456 |
4 |
0 |
0 |
1.000 |
7 |
18 |
|
[N4P]G:402 |
14 |
1 |
435 |
f |
G |
x,y,z |
1_555 |
51 |
18 |
15197 |
270.8 |
4.8 |
0.508 |
10 |
0 |
0 |
0.000 |
19 |
|
[N4P]D:402 |
14 |
1 |
440 |
f |
D |
x,y,z |
1_555 |
46 |
18 |
15178 |
270.6 |
5.1 |
0.506 |
9 |
0 |
0 |
0.000 |
20 |
|
[N4P]F:402 |
14 |
1 |
439 |
f |
F |
x,y,z |
1_555 |
50 |
18 |
15237 |
270.4 |
5.2 |
0.507 |
10 |
0 |
0 |
0.000 |
21 |
|
[N4P]E:402 |
14 |
1 |
439 |
f |
E |
x,y,z |
1_555 |
47 |
18 |
15182 |
270.0 |
5.0 |
0.499 |
10 |
0 |
0 |
0.000 |
22 |
|
[N4P]A:402 |
14 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
48 |
18 |
15116 |
268.6 |
5.0 |
0.499 |
10 |
0 |
0 |
0.000 |
23 |
|
[N4P]C:402 |
14 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
48 |
18 |
15210 |
268.5 |
5.1 |
0.528 |
10 |
0 |
0 |
0.000 |
24 |
|
[N4P]B:402 |
14 |
1 |
435 |
f |
B |
x,y,z |
1_555 |
50 |
18 |
14900 |
268.1 |
4.9 |
0.516 |
8 |
0 |
0 |
0.000 |
Average: |
269.6 |
5.0 |
0.509 |
10 |
0 |
0 |
0.000 |
8 |
25 |
|
G |
24 |
6 |
15197 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
11 |
15237 |
220.8 |
2.3 |
0.783 |
4 |
4 |
0 |
0.000 |
9 |
26 |
|
B |
20 |
5 |
14900 |
◊ |
A |
x,y-1,z |
1_545 |
17 |
5 |
15116 |
159.7 |
-0.8 |
0.403 |
1 |
0 |
0 |
0.000 |
10 |
27 |
|
B |
12 |
4 |
14900 |
◊ |
C |
x,y-1,z |
1_545 |
16 |
6 |
15210 |
123.3 |
-0.5 |
0.469 |
0 |
0 |
0 |
0.000 |
11 |
28 |
|
[PEG]E:405 |
7 |
1 |
262 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
15182 |
119.2 |
2.3 |
0.226 |
0 |
0 |
0 |
0.000 |
12 |
29 |
|
[GOL]D:403 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
15178 |
109.1 |
0.7 |
0.599 |
3 |
0 |
0 |
0.023 |
13 |
30 |
|
A |
13 |
6 |
15116 |
◊ |
A |
-x,y,-z |
2_555 |
13 |
6 |
15116 |
107.8 |
0.6 |
0.678 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
[GOL]A:404 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
15116 |
102.6 |
0.8 |
0.696 |
2 |
0 |
0 |
0.004 |
15 |
32 |
|
[GOL]A:405 |
6 |
1 |
223 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
15116 |
102.0 |
-0.3 |
0.470 |
2 |
0 |
0 |
0.035 |
16 |
33 |
|
[PEG]A:407 |
6 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
14900 |
101.4 |
3.0 |
0.362 |
2 |
0 |
0 |
0.000 |
17 |
34 |
|
[GOL]B:403 |
6 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
14900 |
100.8 |
0.1 |
0.488 |
3 |
0 |
0 |
0.037 |
18 |
35 |
|
[GOL]A:403 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14900 |
93.8 |
-0.9 |
0.402 |
0 |
0 |
0 |
0.038 |
19 |
36 |
|
[GOL]A:405 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14900 |
84.8 |
-0.1 |
0.500 |
3 |
0 |
0 |
0.059 |
20 |
37 |
|
[EDO]D:404 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
15178 |
83.8 |
1.9 |
0.235 |
2 |
0 |
0 |
0.000 |
21 |
38 |
|
[GOL]B:403 |
6 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15116 |
82.8 |
0.2 |
0.515 |
4 |
0 |
0 |
1.000 |
22 |
39 |
|
F |
10 |
4 |
15237 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
13 |
7 |
15197 |
82.4 |
1.6 |
0.828 |
0 |
0 |
0 |
0.000 |
23 |
40 |
|
[GOL]A:404 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
13 |
3 |
14900 |
79.0 |
-0.5 |
0.436 |
1 |
0 |
0 |
0.042 |
24 |
41 |
|
E |
15 |
4 |
15182 |
◊ |
[EDO]D:405 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
185 |
78.6 |
2.2 |
0.483 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[GOL]D:403 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
15210 |
77.9 |
0.6 |
0.635 |
2 |
0 |
0 |
0.011 |
26 |
43 |
|
[PEG]A:407 |
6 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15116 |
74.7 |
2.9 |
0.247 |
2 |
0 |
0 |
0.000 |
27 |
44 |
|
[EDO]E:404 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
17 |
8 |
15182 |
74.7 |
2.0 |
0.263 |
1 |
0 |
0 |
0.000 |
28 |
45 |
|
[EDO]D:405 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
15178 |
71.7 |
1.0 |
0.568 |
2 |
0 |
0 |
0.000 |
29 |
46 |
|
B |
5 |
2 |
14900 |
x |
B |
x,y-1,z |
1_545 |
5 |
2 |
14900 |
61.0 |
1.4 |
0.848 |
2 |
6 |
0 |
0.000 |
30 |
47 |
|
G |
14 |
5 |
15197 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
15237 |
56.6 |
1.5 |
0.635 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
[FE]G:403 |
1 |
1 |
137 |
f |
[FE]G:403 |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
137 |
55.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.138 |
32 |
49 |
|
[FE]G:403 |
1 |
1 |
137 |
x |
G |
x,y,z |
1_555 |
7 |
4 |
15197 |
54.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.457 |
50 |
|
[FE]A:406 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
7 |
4 |
14900 |
47.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.457 |
51 |
|
[FE]E:403 |
1 |
1 |
137 |
x |
E |
x,y,z |
1_555 |
9 |
5 |
15182 |
47.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.457 |
52 |
|
[FE]C:403 |
1 |
1 |
137 |
x |
C |
x,y,z |
1_555 |
7 |
4 |
15210 |
47.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.457 |
53 |
|
[FE]A:406 |
1 |
1 |
137 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
15116 |
47.0 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.457 |
54 |
|
[FE]E:403 |
1 |
1 |
137 |
x |
F |
x,y,z |
1_555 |
8 |
4 |
15237 |
46.9 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.457 |
55 |
|
[FE]C:403 |
1 |
1 |
137 |
x |
D |
x,y,z |
1_555 |
7 |
4 |
15178 |
46.8 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.457 |
Average: |
48.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.457 |
33 |
56 |
|
[N4P]G:402 |
4 |
1 |
435 |
f |
[MTA]G:401 |
x,y,z |
1_555 |
3 |
1 |
451 |
45.8 |
1.0 |
0.413 |
0 |
0 |
0 |
0.000 |
57 |
|
[N4P]F:402 |
3 |
1 |
439 |
f |
[MTA]F:401 |
x,y,z |
1_555 |
3 |
1 |
449 |
44.9 |
0.9 |
0.440 |
0 |
0 |
0 |
0.000 |
58 |
|
[N4P]A:402 |
4 |
1 |
437 |
f |
[MTA]A:401 |
x,y,z |
1_555 |
3 |
1 |
448 |
44.9 |
1.0 |
0.404 |
0 |
0 |
0 |
0.000 |
59 |
|
[N4P]E:402 |
4 |
1 |
439 |
f |
[MTA]E:401 |
x,y,z |
1_555 |
3 |
1 |
448 |
44.4 |
0.9 |
0.379 |
0 |
0 |
0 |
0.000 |
60 |
|
[N4P]D:402 |
5 |
1 |
440 |
f |
[MTA]D:401 |
x,y,z |
1_555 |
3 |
1 |
450 |
44.2 |
0.9 |
0.327 |
0 |
0 |
0 |
0.000 |
61 |
|
[N4P]C:402 |
4 |
1 |
436 |
f |
[MTA]C:401 |
x,y,z |
1_555 |
3 |
1 |
449 |
43.8 |
0.9 |
0.392 |
0 |
0 |
0 |
0.000 |
62 |
|
[N4P]B:402 |
4 |
1 |
435 |
f |
[MTA]B:401 |
x,y,z |
1_555 |
3 |
1 |
447 |
43.3 |
0.8 |
0.370 |
0 |
0 |
0 |
0.000 |
Average: |
44.5 |
0.9 |
0.389 |
0 |
0 |
0 |
0.000 |
34 |
63 |
|
[EDO]D:404 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
15210 |
37.2 |
0.4 |
0.423 |
0 |
0 |
0 |
0.000 |
35 |
64 |
|
[GOL]A:403 |
3 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15116 |
37.1 |
0.1 |
0.586 |
1 |
0 |
0 |
0.011 |
36 |
65 |
|
F |
5 |
2 |
15237 |
x |
F |
x,y-1,z |
1_545 |
4 |
1 |
15237 |
35.6 |
-0.4 |
0.369 |
0 |
0 |
0 |
0.000 |
66 |
|
D |
4 |
1 |
15178 |
x |
D |
x,y-1,z |
1_545 |
5 |
3 |
15178 |
33.7 |
0.1 |
0.599 |
1 |
0 |
0 |
0.000 |
Average: |
34.7 |
-0.2 |
0.484 |
1 |
0 |
0 |
0.000 |
37 |
67 |
|
F |
4 |
2 |
15237 |
x |
F |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
15237 |
34.2 |
0.5 |
0.752 |
1 |
1 |
0 |
0.000 |
38 |
68 |
|
A |
3 |
1 |
15116 |
x |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
15116 |
32.0 |
-0.3 |
0.294 |
0 |
0 |
0 |
0.000 |
39 |
69 |
|
E |
7 |
1 |
15182 |
x |
E |
x-1/2,y+1/2,z |
3_455 |
8 |
2 |
15182 |
24.9 |
-0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
40 |
70 |
|
[GOL]A:403 |
3 |
1 |
217 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
15116 |
20.5 |
0.8 |
0.701 |
0 |
0 |
0 |
0.000 |
41 |
71 |
|
G |
1 |
1 |
15197 |
x |
G |
x,y-1,z |
1_545 |
1 |
1 |
15197 |
6.8 |
0.2 |
0.835 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
C |
2 |
2 |
15210 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
15178 |
6.2 |
0.2 |
0.739 |
0 |
0 |
0 |
0.000 |
43 |
73 |
|
B |
2 |
1 |
14900 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
15178 |
4.8 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
44 |
74 |
|
A |
2 |
2 |
15116 |
x |
A |
x,y-1,z |
1_545 |
2 |
2 |
15116 |
1.0 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
|