## |
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 |
236 |
77 |
15772 |
◊ |
C |
x,y,z |
1_555 |
235 |
74 |
15459 |
2286.3 |
-18.9 |
0.070 |
30 |
15 |
0 |
1.000 |
2 |
|
B |
221 |
74 |
15811 |
◊ |
A |
x,y,z |
1_555 |
230 |
74 |
15379 |
2204.3 |
-19.5 |
0.062 |
20 |
14 |
0 |
1.000 |
Average: |
2245.3 |
-19.2 |
0.066 |
25 |
15 |
0 |
1.000 |
2 |
3 |
|
E |
101 |
22 |
14980 |
◊ |
D |
x,y,z |
1_555 |
119 |
35 |
15772 |
953.4 |
-4.2 |
0.435 |
8 |
2 |
0 |
0.191 |
4 |
|
F |
109 |
23 |
14559 |
◊ |
B |
x,y,z |
1_555 |
118 |
36 |
15811 |
940.6 |
-5.5 |
0.356 |
7 |
1 |
0 |
0.191 |
Average: |
947.0 |
-4.9 |
0.395 |
8 |
2 |
0 |
0.191 |
3 |
5 |
|
E |
52 |
17 |
14980 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
57 |
22 |
14559 |
522.3 |
-3.3 |
0.318 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
56 |
17 |
15772 |
◊ |
A |
x,y,z |
1_555 |
54 |
19 |
15379 |
516.2 |
-4.7 |
0.195 |
8 |
0 |
0 |
0.017 |
7 |
|
C |
59 |
19 |
15459 |
◊ |
B |
x,y,z |
1_555 |
59 |
19 |
15811 |
507.5 |
-2.3 |
0.409 |
6 |
0 |
0 |
0.017 |
Average: |
511.8 |
-3.5 |
0.302 |
7 |
0 |
0 |
0.017 |
5 |
8 |
|
F |
39 |
6 |
14559 |
◊ |
A |
x,y,z |
1_555 |
57 |
17 |
15379 |
423.4 |
-4.8 |
0.170 |
2 |
0 |
0 |
0.141 |
9 |
|
E |
40 |
6 |
14980 |
◊ |
C |
x,y,z |
1_555 |
53 |
17 |
15459 |
408.9 |
-3.7 |
0.282 |
5 |
0 |
0 |
0.141 |
Average: |
416.1 |
-4.3 |
0.226 |
4 |
0 |
0 |
0.141 |
6 |
10 |
|
D |
39 |
14 |
15772 |
◊ |
B |
x,y,z |
1_555 |
42 |
15 |
15811 |
350.6 |
-2.1 |
0.354 |
6 |
3 |
0 |
0.007 |
7 |
11 |
|
F |
41 |
15 |
14559 |
x |
F |
x-1/2,-y+1/2,-z+1 |
3_456 |
33 |
13 |
14559 |
312.7 |
1.4 |
0.740 |
3 |
1 |
0 |
0.000 |
8 |
12 |
|
C |
35 |
13 |
15459 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
15379 |
308.7 |
-0.2 |
0.538 |
5 |
1 |
0 |
0.003 |
9 |
13 |
|
A |
36 |
12 |
15379 |
◊ |
D |
-x,y-1/2,-z+1/2 |
4_545 |
35 |
8 |
15772 |
296.9 |
0.9 |
0.690 |
4 |
5 |
0 |
0.000 |
10 |
14 |
|
E |
24 |
9 |
14980 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
23 |
6 |
15379 |
249.9 |
-0.3 |
0.470 |
5 |
1 |
0 |
0.000 |
11 |
15 |
|
[ADN]A:403 |
18 |
1 |
418 |
f |
A |
x,y,z |
1_555 |
36 |
13 |
15379 |
203.2 |
1.3 |
0.420 |
2 |
0 |
0 |
0.010 |
16 |
|
[ADN]C:403 |
18 |
1 |
416 |
f |
C |
x,y,z |
1_555 |
34 |
13 |
15459 |
194.9 |
0.6 |
0.347 |
2 |
0 |
0 |
0.010 |
Average: |
199.0 |
0.9 |
0.383 |
2 |
0 |
0 |
0.010 |
12 |
17 |
|
E |
19 |
8 |
14980 |
x |
E |
x-1/2,-y+1/2,-z |
3_455 |
24 |
5 |
14980 |
177.7 |
-0.2 |
0.591 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
[ADN]A:403 |
14 |
1 |
418 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
15811 |
129.9 |
0.9 |
0.356 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[ADN]C:403 |
13 |
1 |
416 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
15772 |
123.0 |
0.2 |
0.247 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]C:401 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
15459 |
116.9 |
4.6 |
0.717 |
3 |
0 |
0 |
0.000 |
16 |
21 |
|
[POP]C:404 |
9 |
1 |
261 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
15459 |
107.8 |
1.0 |
0.598 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]E:401 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
14980 |
105.9 |
2.9 |
0.456 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[EDO]A:402 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
15379 |
99.3 |
2.6 |
0.282 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]D:402 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
15772 |
98.1 |
2.5 |
0.373 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[EDO]B:404 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
15811 |
95.2 |
1.9 |
0.334 |
1 |
0 |
0 |
0.000 |
21 |
26 |
|
[EDO]B:401 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
15811 |
91.8 |
2.3 |
0.413 |
2 |
0 |
0 |
0.000 |
22 |
27 |
|
[EDO]D:403 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
15772 |
90.1 |
3.0 |
0.409 |
0 |
0 |
0 |
0.000 |
23 |
28 |
|
[PO4]A:404 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15379 |
88.4 |
-3.5 |
0.940 |
2 |
0 |
0 |
1.000 |
24 |
29 |
|
[EDO]D:401 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
15772 |
80.4 |
2.5 |
0.283 |
1 |
0 |
0 |
0.000 |
25 |
30 |
|
[EDO]B:402 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15811 |
78.2 |
1.5 |
0.234 |
2 |
0 |
0 |
0.000 |
26 |
31 |
|
[POP]C:404 |
8 |
1 |
261 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
15772 |
76.5 |
1.5 |
0.757 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[EDO]A:401 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
15379 |
72.1 |
1.5 |
0.239 |
1 |
0 |
0 |
0.000 |
28 |
33 |
|
[EDO]B:402 |
3 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
15772 |
65.7 |
2.2 |
0.500 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
15811 |
58.5 |
2.4 |
0.322 |
2 |
0 |
0 |
0.000 |
30 |
35 |
|
[EDO]A:401 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
6 |
3 |
14559 |
54.7 |
0.4 |
0.455 |
1 |
0 |
0 |
0.100 |
31 |
36 |
|
[EDO]B:401 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
15379 |
54.7 |
1.2 |
0.676 |
1 |
0 |
0 |
0.000 |
32 |
37 |
|
[PO4]A:404 |
5 |
1 |
188 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
15811 |
53.0 |
-2.1 |
0.879 |
1 |
0 |
0 |
0.087 |
33 |
38 |
|
[EDO]B:403 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
15772 |
51.1 |
0.9 |
0.185 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]D:403 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
15459 |
49.5 |
0.6 |
0.717 |
2 |
0 |
0 |
0.010 |
35 |
40 |
|
[EDO]B:403 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
15459 |
46.5 |
0.7 |
0.611 |
0 |
0 |
0 |
0.000 |
36 |
41 |
|
A |
7 |
5 |
15379 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
4_645 |
7 |
2 |
15459 |
43.8 |
0.7 |
0.707 |
1 |
2 |
0 |
0.000 |
37 |
42 |
|
[EDO]D:401 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
15379 |
38.5 |
0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[EDO]B:404 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
15379 |
36.8 |
1.0 |
0.842 |
1 |
0 |
0 |
0.000 |
39 |
44 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
15772 |
32.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.119 |
40 |
45 |
|
[EDO]A:401 |
2 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15811 |
32.5 |
1.3 |
0.923 |
0 |
0 |
0 |
0.000 |
41 |
46 |
|
[EDO]D:402 |
2 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
15459 |
31.6 |
0.4 |
0.792 |
1 |
0 |
0 |
0.002 |
42 |
47 |
|
[MG]D:404 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
15459 |
30.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.086 |
43 |
48 |
|
[POP]C:404 |
3 |
1 |
261 |
◊ |
[ADN]C:403 |
x,y,z |
1_555 |
3 |
1 |
416 |
25.9 |
0.6 |
0.484 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[ADN]C:403 |
2 |
1 |
416 |
f |
[EDO]D:402 |
x,y,z |
1_555 |
2 |
1 |
185 |
24.7 |
0.8 |
0.664 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
C |
4 |
3 |
15459 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
3 |
14559 |
24.4 |
-0.2 |
0.547 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[ADN]A:403 |
2 |
1 |
418 |
f |
[EDO]B:404 |
x,y,z |
1_555 |
3 |
1 |
184 |
24.3 |
1.0 |
0.676 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
[POP]C:404 |
x,y,z |
1_555 |
2 |
1 |
261 |
24.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.093 |
48 |
53 |
|
[PO4]A:404 |
3 |
1 |
188 |
f |
[ADN]A:403 |
x,y,z |
1_555 |
3 |
1 |
418 |
22.0 |
-0.8 |
0.646 |
0 |
0 |
0 |
0.260 |
49 |
54 |
|
E |
3 |
2 |
14980 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
15811 |
21.4 |
0.3 |
0.720 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
E |
2 |
1 |
14980 |
◊ |
F |
-x,y-1/2,-z+1/2 |
4_545 |
2 |
1 |
14559 |
19.9 |
0.0 |
0.426 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
E |
2 |
1 |
14980 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
14559 |
3.7 |
-0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
52 |
57 |
|
[POP]C:404 |
1 |
1 |
261 |
◊ |
[EDO]D:402 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.3 |
0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
53 |
58 |
|
[PO4]A:404 |
1 |
1 |
188 |
f |
[EDO]B:404 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.2 |
-0.0 |
0.894 |
0 |
0 |
0 |
0.001 |
|