## |
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 |
306 |
77 |
11386 |
◊ |
C |
x,y,z |
1_555 |
301 |
75 |
10981 |
3004.5 |
-47.8 |
0.071 |
26 |
12 |
0 |
0.684 |
2 |
|
B |
311 |
79 |
11085 |
◊ |
A |
x,y,z |
1_555 |
305 |
77 |
11107 |
2975.8 |
-47.2 |
0.040 |
26 |
14 |
0 |
0.684 |
Average: |
2990.2 |
-47.5 |
0.055 |
26 |
13 |
0 |
0.684 |
2 |
3 |
|
D |
74 |
18 |
11386 |
◊ |
B |
x-1,y,z |
1_455 |
69 |
14 |
11085 |
562.5 |
-4.4 |
0.676 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
35 |
10 |
10981 |
◊ |
A |
x-1,y+1,z |
1_465 |
46 |
15 |
11107 |
383.4 |
-4.8 |
0.393 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
37 |
7 |
11386 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
11107 |
292.4 |
-3.3 |
0.517 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
25 |
8 |
11085 |
◊ |
D |
x,y-1,z+1 |
1_546 |
25 |
9 |
11386 |
226.8 |
-2.2 |
0.518 |
1 |
2 |
0 |
0.000 |
6 |
7 |
|
[PWS]D:501 |
14 |
1 |
369 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
11386 |
160.9 |
1.2 |
0.393 |
3 |
0 |
0 |
0.001 |
7 |
8 |
|
[PWS]A:308 |
13 |
1 |
365 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
11107 |
159.6 |
1.1 |
0.401 |
4 |
0 |
0 |
0.007 |
8 |
9 |
|
[PWS]C:304 |
13 |
1 |
359 |
f |
C |
x,y,z |
1_555 |
23 |
5 |
10981 |
157.8 |
0.8 |
0.412 |
3 |
0 |
0 |
0.006 |
10 |
|
[PWS]A:304 |
14 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
23 |
5 |
11085 |
149.1 |
0.8 |
0.380 |
3 |
0 |
0 |
0.006 |
Average: |
153.4 |
0.8 |
0.396 |
3 |
0 |
0 |
0.006 |
9 |
11 |
|
[PWS]D:501 |
14 |
1 |
369 |
◊ |
C |
x,y,z |
1_555 |
24 |
5 |
10981 |
141.6 |
2.3 |
0.502 |
3 |
0 |
0 |
0.000 |
12 |
|
[PWS]C:304 |
14 |
1 |
359 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
11386 |
140.4 |
2.4 |
0.498 |
3 |
0 |
0 |
0.000 |
13 |
|
[PWS]A:308 |
14 |
1 |
365 |
◊ |
B |
x,y,z |
1_555 |
23 |
6 |
11085 |
139.2 |
2.4 |
0.478 |
3 |
0 |
0 |
0.000 |
14 |
|
[PWS]A:304 |
14 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
11107 |
133.2 |
2.2 |
0.498 |
3 |
0 |
0 |
0.000 |
Average: |
138.6 |
2.3 |
0.494 |
3 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
9 |
2 |
11386 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
9 |
11107 |
123.7 |
-0.9 |
0.271 |
1 |
0 |
0 |
0.000 |
16 |
|
C |
12 |
8 |
10981 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
11085 |
120.8 |
-1.2 |
0.211 |
1 |
0 |
0 |
0.000 |
Average: |
122.3 |
-1.0 |
0.241 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
14 |
4 |
11085 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
3 |
11107 |
108.6 |
-1.9 |
0.404 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
12 |
4 |
11386 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
13 |
7 |
11107 |
107.3 |
-2.4 |
0.303 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]D:504 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
10 |
11386 |
107.0 |
3.5 |
0.538 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]C:305 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
17 |
11 |
10981 |
104.5 |
3.3 |
0.538 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]C:301 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10981 |
102.1 |
3.3 |
0.573 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]A:305 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
16 |
11 |
11107 |
101.3 |
3.2 |
0.527 |
2 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]B:304 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
9 |
11085 |
101.3 |
3.2 |
0.510 |
2 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]B:301 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11085 |
88.3 |
2.1 |
0.302 |
3 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]A:306 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
11107 |
87.9 |
2.1 |
0.286 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
11085 |
55.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.079 |
21 |
27 |
|
B |
7 |
1 |
11085 |
x |
B |
x-1,y,z |
1_455 |
9 |
3 |
11085 |
53.1 |
-0.3 |
0.603 |
0 |
0 |
0 |
0.000 |
22 |
28 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11085 |
52.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.167 |
29 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11107 |
50.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.167 |
30 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
10981 |
50.7 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.167 |
31 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
11386 |
48.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
50.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.167 |
23 |
32 |
|
[EDO]A:307 |
2 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
11107 |
50.7 |
1.4 |
0.613 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11085 |
48.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.165 |
34 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
10981 |
48.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.165 |
35 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11107 |
48.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.165 |
36 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
5 |
11386 |
47.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.165 |
Average: |
48.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.165 |
25 |
37 |
|
[EDO]A:305 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11085 |
39.9 |
0.8 |
0.894 |
2 |
0 |
0 |
0.002 |
38 |
|
[EDO]B:304 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
11107 |
38.9 |
0.8 |
0.897 |
2 |
0 |
0 |
0.002 |
Average: |
39.4 |
0.8 |
0.896 |
2 |
0 |
0 |
0.002 |
26 |
39 |
|
[EDO]A:307 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11085 |
39.7 |
0.7 |
0.771 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[EDO]D:504 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
10981 |
38.4 |
1.1 |
0.914 |
1 |
0 |
0 |
0.000 |
28 |
41 |
|
A |
5 |
2 |
11107 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11085 |
37.7 |
-0.8 |
0.125 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[EDO]C:305 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
11386 |
37.1 |
0.8 |
0.921 |
2 |
0 |
0 |
0.000 |
30 |
43 |
|
[EDO]A:307 |
4 |
1 |
184 |
f |
[PWS]A:304 |
x,y,z |
1_555 |
3 |
1 |
367 |
33.5 |
1.6 |
0.731 |
1 |
0 |
0 |
0.000 |
31 |
44 |
|
D |
2 |
2 |
11386 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
10981 |
29.1 |
-0.5 |
0.346 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
11107 |
25.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.029 |
33 |
46 |
|
D |
2 |
1 |
11386 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
11085 |
24.4 |
-0.6 |
0.321 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.054 |
35 |
48 |
|
D |
5 |
1 |
11386 |
x |
D |
x,y-1,z |
1_545 |
2 |
1 |
11386 |
23.4 |
-0.2 |
0.609 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.045 |
37 |
50 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.037 |
38 |
51 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.035 |
39 |
52 |
|
C |
2 |
2 |
10981 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
2 |
11085 |
10.1 |
-0.3 |
0.410 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
C |
2 |
1 |
10981 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11107 |
7.1 |
-0.0 |
0.595 |
0 |
0 |
0 |
0.000 |
41 |
54 |
|
A |
3 |
1 |
11107 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11085 |
4.7 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
[EDO]B:304 |
1 |
1 |
184 |
◊ |
[PWS]A:304 |
x,y,z |
1_555 |
1 |
1 |
367 |
0.5 |
0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
|