## |
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 |
303 |
78 |
11103 |
◊ |
A |
x,y,z |
1_555 |
301 |
77 |
11034 |
2993.3 |
-47.2 |
0.032 |
28 |
14 |
0 |
0.734 |
2 |
|
D |
297 |
78 |
11150 |
◊ |
C |
x,y,z |
1_555 |
299 |
76 |
10838 |
2981.9 |
-48.1 |
0.077 |
26 |
8 |
0 |
0.734 |
Average: |
2987.6 |
-47.6 |
0.055 |
27 |
11 |
0 |
0.734 |
2 |
3 |
|
D |
66 |
16 |
11150 |
◊ |
B |
x-1,y,z |
1_455 |
63 |
15 |
11103 |
508.4 |
-4.2 |
0.651 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
35 |
10 |
10838 |
◊ |
A |
x-1,y+1,z |
1_465 |
43 |
15 |
11034 |
375.1 |
-4.4 |
0.411 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
35 |
7 |
11150 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
11034 |
287.0 |
-3.3 |
0.523 |
2 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
23 |
8 |
11103 |
◊ |
D |
x,y-1,z+1 |
1_546 |
23 |
7 |
11150 |
233.2 |
-3.1 |
0.413 |
0 |
1 |
0 |
0.000 |
6 |
7 |
|
[K1D]D:303 |
12 |
1 |
333 |
◊ |
C |
x,y,z |
1_555 |
21 |
5 |
10838 |
145.1 |
2.5 |
0.292 |
0 |
0 |
0 |
0.000 |
8 |
|
[K1D]A:304 |
13 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
11103 |
144.0 |
2.6 |
0.228 |
0 |
0 |
0 |
0.000 |
9 |
|
[K1D]B:304 |
13 |
1 |
332 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
11034 |
142.8 |
2.3 |
0.223 |
0 |
0 |
0 |
0.000 |
10 |
|
[K1D]C:304 |
12 |
1 |
333 |
◊ |
D |
x,y,z |
1_555 |
20 |
5 |
11150 |
140.9 |
2.5 |
0.289 |
0 |
0 |
0 |
0.000 |
Average: |
143.2 |
2.5 |
0.258 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
9 |
2 |
11150 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
9 |
11034 |
128.1 |
-0.9 |
0.280 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
15 |
10 |
10838 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
11103 |
124.5 |
-1.2 |
0.279 |
1 |
0 |
0 |
0.000 |
Average: |
126.3 |
-1.1 |
0.280 |
1 |
0 |
0 |
0.000 |
8 |
13 |
|
[K1D]D:303 |
13 |
1 |
333 |
f |
D |
x,y,z |
1_555 |
19 |
5 |
11150 |
124.4 |
2.6 |
0.256 |
1 |
0 |
0 |
0.000 |
14 |
|
[K1D]A:304 |
13 |
1 |
335 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
11034 |
124.3 |
2.6 |
0.247 |
1 |
0 |
0 |
0.000 |
15 |
|
[K1D]B:304 |
12 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
11103 |
124.0 |
2.7 |
0.280 |
1 |
0 |
0 |
0.000 |
16 |
|
[K1D]C:304 |
13 |
1 |
333 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
10838 |
123.3 |
2.5 |
0.242 |
1 |
0 |
0 |
0.000 |
Average: |
124.0 |
2.6 |
0.256 |
1 |
0 |
0 |
0.000 |
9 |
17 |
|
B |
13 |
3 |
11103 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
11034 |
109.1 |
-1.5 |
0.452 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
D |
12 |
5 |
11150 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
14 |
7 |
11034 |
107.8 |
-2.0 |
0.401 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
[EDO]D:304 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
9 |
11150 |
103.5 |
3.2 |
0.533 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
[EDO]B:305 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
8 |
11103 |
102.2 |
3.1 |
0.496 |
2 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:305 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
16 |
11 |
11034 |
101.7 |
3.1 |
0.517 |
2 |
0 |
0 |
0.000 |
Average: |
102.0 |
3.1 |
0.507 |
2 |
0 |
0 |
0.000 |
13 |
22 |
|
[EDO]C:305 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
15 |
10 |
10838 |
101.9 |
3.2 |
0.522 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[EDO]C:301 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
10838 |
100.5 |
3.1 |
0.333 |
2 |
0 |
0 |
0.000 |
15 |
24 |
|
[EDO]B:301 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11103 |
87.0 |
1.9 |
0.295 |
3 |
0 |
0 |
0.000 |
16 |
25 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
11103 |
58.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.081 |
17 |
26 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11103 |
55.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.338 |
27 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11034 |
52.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.338 |
28 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
11150 |
48.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.338 |
29 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10838 |
47.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.338 |
30 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
10838 |
47.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.338 |
31 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
11150 |
47.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.338 |
Average: |
49.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.338 |
18 |
32 |
|
B |
7 |
1 |
11103 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
11103 |
54.5 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
19 |
33 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
11103 |
51.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.157 |
34 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11034 |
49.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.157 |
Average: |
50.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.157 |
20 |
35 |
|
[EDO]A:305 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11103 |
41.4 |
0.9 |
0.899 |
2 |
0 |
0 |
0.001 |
36 |
|
[EDO]B:305 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11034 |
40.6 |
0.8 |
0.894 |
2 |
0 |
0 |
0.001 |
Average: |
41.0 |
0.8 |
0.896 |
2 |
0 |
0 |
0.001 |
21 |
37 |
|
[EDO]D:304 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
10838 |
41.4 |
0.9 |
0.922 |
2 |
0 |
0 |
0.000 |
22 |
38 |
|
[EDO]C:305 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
11150 |
40.0 |
0.8 |
0.911 |
2 |
0 |
0 |
0.000 |
23 |
39 |
|
A |
5 |
2 |
11034 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11103 |
38.8 |
-0.8 |
0.124 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
D |
7 |
2 |
11150 |
x |
D |
x,y-1,z |
1_545 |
5 |
2 |
11150 |
37.8 |
-0.6 |
0.542 |
0 |
0 |
0 |
0.000 |
25 |
41 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
11034 |
31.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.040 |
26 |
42 |
|
D |
3 |
3 |
11150 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
4 |
10838 |
30.8 |
-0.5 |
0.448 |
0 |
0 |
0 |
0.000 |
27 |
43 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.066 |
28 |
44 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.061 |
29 |
45 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.038 |
30 |
46 |
|
D |
2 |
1 |
11150 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
11103 |
16.5 |
-0.5 |
0.394 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
C |
1 |
1 |
10838 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
11103 |
7.5 |
-0.2 |
0.369 |
0 |
0 |
0 |
0.000 |
32 |
48 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.8 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.014 |
33 |
49 |
|
C |
2 |
1 |
10838 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11034 |
4.3 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
A |
3 |
1 |
11034 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11103 |
3.1 |
-0.1 |
0.532 |
0 |
0 |
0 |
0.000 |
|