## |
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 |
211 |
53 |
11440 |
◊ |
C |
x,y,z |
1_555 |
212 |
53 |
11606 |
1890.8 |
-18.6 |
0.228 |
18 |
0 |
0 |
0.938 |
2 |
|
B |
205 |
51 |
11559 |
◊ |
A |
x,y,z |
1_555 |
211 |
53 |
11367 |
1877.7 |
-18.1 |
0.207 |
18 |
0 |
0 |
0.938 |
3 |
|
F |
206 |
52 |
11440 |
◊ |
E |
x,y,z |
1_555 |
214 |
54 |
11453 |
1872.4 |
-19.3 |
0.202 |
17 |
0 |
0 |
0.938 |
Average: |
1880.3 |
-18.7 |
0.213 |
18 |
0 |
0 |
0.938 |
2 |
4 |
|
C |
107 |
34 |
11606 |
◊ |
B |
x,y,z |
1_555 |
105 |
34 |
11559 |
1041.5 |
-20.0 |
0.009 |
6 |
6 |
0 |
0.894 |
5 |
|
E |
108 |
33 |
11453 |
◊ |
D |
x,y,z |
1_555 |
107 |
34 |
11440 |
1037.0 |
-20.1 |
0.012 |
6 |
6 |
0 |
0.894 |
6 |
|
F |
104 |
34 |
11440 |
◊ |
A |
x,y,z |
1_555 |
105 |
34 |
11367 |
1036.2 |
-20.2 |
0.007 |
6 |
5 |
0 |
0.894 |
Average: |
1038.2 |
-20.1 |
0.010 |
6 |
6 |
0 |
0.894 |
3 |
7 |
|
[BJE]E:302 |
16 |
1 |
351 |
◊ |
E |
x,y,z |
1_555 |
36 |
15 |
11453 |
225.2 |
2.8 |
0.538 |
3 |
0 |
0 |
0.000 |
8 |
|
[BJE]F:301 |
16 |
1 |
353 |
◊ |
F |
x,y,z |
1_555 |
35 |
15 |
11440 |
225.1 |
2.9 |
0.527 |
4 |
0 |
0 |
0.000 |
9 |
|
[BJE]A:302 |
16 |
1 |
353 |
◊ |
A |
x,y,z |
1_555 |
35 |
15 |
11367 |
225.1 |
2.7 |
0.524 |
2 |
0 |
0 |
0.000 |
10 |
|
[BJE]D:301 |
16 |
1 |
354 |
◊ |
D |
x,y,z |
1_555 |
36 |
15 |
11440 |
225.0 |
2.8 |
0.546 |
2 |
0 |
0 |
0.000 |
11 |
|
[BJE]B:301 |
16 |
1 |
349 |
◊ |
B |
x,y,z |
1_555 |
36 |
16 |
11559 |
224.8 |
2.8 |
0.534 |
2 |
0 |
0 |
0.000 |
12 |
|
[BJE]C:302 |
16 |
1 |
352 |
◊ |
C |
x,y,z |
1_555 |
37 |
16 |
11606 |
223.3 |
2.7 |
0.518 |
2 |
0 |
0 |
0.000 |
Average: |
224.8 |
2.8 |
0.531 |
3 |
0 |
0 |
0.000 |
4 |
13 |
|
E |
15 |
4 |
11453 |
◊ |
A |
x,y,z |
1_555 |
26 |
8 |
11367 |
190.9 |
1.6 |
0.783 |
4 |
1 |
0 |
0.010 |
14 |
|
F |
14 |
3 |
11440 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
11440 |
190.7 |
2.6 |
0.832 |
4 |
2 |
0 |
0.010 |
15 |
|
C |
24 |
8 |
11606 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
11367 |
190.0 |
1.7 |
0.771 |
4 |
0 |
0 |
0.010 |
16 |
|
F |
21 |
8 |
11440 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
11559 |
190.0 |
1.8 |
0.791 |
4 |
2 |
0 |
0.010 |
17 |
|
D |
15 |
3 |
11440 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
11559 |
190.0 |
2.4 |
0.825 |
4 |
2 |
0 |
0.010 |
18 |
|
E |
21 |
7 |
11453 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
11606 |
180.7 |
1.4 |
0.745 |
6 |
4 |
0 |
0.010 |
Average: |
188.7 |
1.9 |
0.791 |
4 |
2 |
0 |
0.010 |
5 |
19 |
|
F |
21 |
9 |
11440 |
◊ |
C |
x,y-1,z |
1_545 |
21 |
6 |
11606 |
172.9 |
-0.3 |
0.613 |
2 |
0 |
0 |
0.000 |
20 |
|
B |
19 |
7 |
11559 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
5 |
11453 |
168.6 |
-0.1 |
0.627 |
2 |
0 |
0 |
0.000 |
21 |
|
A |
21 |
5 |
11367 |
◊ |
D |
x-1,y-1,z |
1_445 |
18 |
7 |
11440 |
166.2 |
-0.1 |
0.626 |
2 |
0 |
0 |
0.000 |
Average: |
169.2 |
-0.2 |
0.622 |
2 |
0 |
0 |
0.000 |
6 |
22 |
|
B |
24 |
8 |
11559 |
◊ |
E |
-y,x-y,z+1/3 |
2_555 |
24 |
8 |
11453 |
166.5 |
-1.5 |
0.509 |
0 |
0 |
0 |
0.000 |
7 |
23 |
|
B |
15 |
6 |
11559 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
17 |
5 |
11367 |
144.2 |
-0.1 |
0.650 |
1 |
1 |
0 |
0.000 |
8 |
24 |
|
E |
18 |
7 |
11453 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
11 |
2 |
11606 |
143.0 |
-0.7 |
0.562 |
0 |
0 |
0 |
0.000 |
9 |
25 |
|
F |
14 |
4 |
11440 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
13 |
5 |
11367 |
121.9 |
0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
10 |
26 |
|
[GOL]F:303 |
6 |
1 |
222 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
11440 |
107.8 |
0.1 |
0.618 |
3 |
0 |
0 |
0.037 |
11 |
27 |
|
[GOL]D:302 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
11440 |
105.1 |
-0.4 |
0.528 |
2 |
0 |
0 |
0.049 |
12 |
28 |
|
[GOL]B:302 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
11559 |
104.3 |
-0.6 |
0.466 |
2 |
0 |
0 |
0.055 |
13 |
29 |
|
[GOL]B:303 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
11559 |
103.2 |
0.2 |
0.643 |
3 |
0 |
0 |
0.041 |
14 |
30 |
|
[GOL]D:303 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
11440 |
82.9 |
-0.1 |
0.622 |
3 |
0 |
0 |
0.052 |
15 |
31 |
|
[GOL]D:304 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
13 |
3 |
11440 |
82.4 |
-0.7 |
0.477 |
1 |
0 |
0 |
0.044 |
16 |
32 |
|
[GOL]F:304 |
6 |
1 |
217 |
f |
A |
-y,x-y,z+1/3 |
2_555 |
9 |
4 |
11367 |
74.1 |
-1.0 |
0.418 |
0 |
0 |
0 |
0.036 |
17 |
33 |
|
[BJE]E:302 |
7 |
1 |
351 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
11440 |
73.4 |
1.7 |
0.452 |
2 |
0 |
0 |
0.000 |
34 |
|
[BJE]C:302 |
7 |
1 |
352 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
11440 |
72.8 |
1.6 |
0.438 |
2 |
0 |
0 |
0.000 |
35 |
|
[BJE]D:301 |
7 |
1 |
354 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
11606 |
72.8 |
1.6 |
0.451 |
2 |
0 |
0 |
0.000 |
36 |
|
[BJE]A:302 |
7 |
1 |
353 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11559 |
72.1 |
1.6 |
0.441 |
2 |
0 |
0 |
0.000 |
37 |
|
[BJE]F:301 |
7 |
1 |
353 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
11453 |
71.4 |
1.6 |
0.435 |
2 |
0 |
0 |
0.000 |
38 |
|
[BJE]B:301 |
7 |
1 |
349 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
11367 |
70.3 |
1.5 |
0.446 |
2 |
0 |
0 |
0.000 |
Average: |
72.1 |
1.6 |
0.444 |
2 |
0 |
0 |
0.000 |
18 |
39 |
|
[GOL]F:304 |
5 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
11440 |
68.0 |
0.5 |
0.651 |
1 |
0 |
0 |
0.000 |
19 |
40 |
|
[GOL]F:305 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
10 |
4 |
11440 |
65.5 |
-0.1 |
0.592 |
2 |
0 |
0 |
0.032 |
20 |
41 |
|
A |
8 |
2 |
11367 |
◊ |
E |
x-1,y,z |
1_455 |
9 |
2 |
11453 |
63.7 |
-0.5 |
0.412 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
9 |
2 |
11367 |
◊ |
C |
x-1,y-1,z |
1_445 |
6 |
1 |
11606 |
63.7 |
-0.5 |
0.349 |
0 |
0 |
0 |
0.000 |
43 |
|
E |
6 |
1 |
11453 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
2 |
11606 |
62.3 |
-0.4 |
0.366 |
0 |
0 |
0 |
0.000 |
Average: |
63.3 |
-0.5 |
0.375 |
0 |
0 |
0 |
0.000 |
21 |
44 |
|
[GOL]D:304 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
11606 |
63.3 |
-0.6 |
0.501 |
1 |
0 |
0 |
0.031 |
22 |
45 |
|
[GOL]F:305 |
3 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
13 |
3 |
11453 |
59.2 |
-0.4 |
0.513 |
0 |
0 |
0 |
0.011 |
23 |
46 |
|
[EDO]F:302 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
11440 |
57.5 |
0.6 |
0.543 |
0 |
0 |
0 |
0.000 |
24 |
47 |
|
[EDO]F:302 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
11367 |
55.9 |
0.5 |
0.497 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
[GOL]D:302 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
11453 |
54.2 |
0.1 |
0.624 |
1 |
0 |
0 |
0.013 |
26 |
49 |
|
[GOL]B:302 |
5 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11606 |
52.8 |
0.0 |
0.585 |
1 |
0 |
0 |
0.010 |
27 |
50 |
|
[CL]F:306 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
11440 |
51.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.205 |
51 |
|
[CL]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
11606 |
50.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.205 |
Average: |
51.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.205 |
28 |
52 |
|
[GOL]F:303 |
3 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
11367 |
48.3 |
-0.7 |
0.412 |
0 |
0 |
0 |
0.019 |
29 |
53 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11367 |
45.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.302 |
54 |
|
[NA]E:301 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
11440 |
45.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.302 |
55 |
|
[NA]C:303 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
11440 |
45.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.302 |
56 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11559 |
45.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.302 |
57 |
|
[NA]C:303 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
11606 |
45.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.302 |
58 |
|
[NA]E:301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
11453 |
45.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.302 |
Average: |
45.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.302 |
30 |
59 |
|
[CL]F:306 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11367 |
45.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.159 |
60 |
|
[CL]C:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11559 |
44.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
44.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.159 |
31 |
61 |
|
[GOL]F:303 |
4 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
11559 |
42.5 |
0.8 |
0.731 |
0 |
0 |
0 |
0.000 |
32 |
62 |
|
[GOL]B:302 |
4 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
11440 |
41.5 |
0.5 |
0.727 |
0 |
0 |
0 |
0.000 |
33 |
63 |
|
B |
7 |
3 |
11559 |
f |
[MG]E:303 |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
98 |
32.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.130 |
34 |
64 |
|
[GOL]D:302 |
4 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
11440 |
31.5 |
0.2 |
0.608 |
0 |
0 |
0 |
0.000 |
35 |
65 |
|
F |
5 |
4 |
11440 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
11440 |
21.9 |
0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
36 |
66 |
|
[MG]E:303 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
11453 |
10.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
67 |
|
F |
2 |
1 |
11440 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11559 |
8.9 |
0.4 |
0.837 |
0 |
0 |
0 |
0.000 |
|