## |
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 |
308 |
79 |
11303 |
◊ |
C |
x,y,z |
1_555 |
303 |
79 |
10999 |
3018.3 |
-49.1 |
0.057 |
26 |
9 |
0 |
0.691 |
2 |
|
B |
312 |
78 |
11149 |
◊ |
A |
x,y,z |
1_555 |
311 |
79 |
11003 |
3003.9 |
-47.4 |
0.040 |
23 |
13 |
0 |
0.691 |
Average: |
3011.1 |
-48.2 |
0.049 |
25 |
11 |
0 |
0.691 |
2 |
3 |
|
D |
74 |
20 |
11303 |
◊ |
B |
x-1,y,z |
1_455 |
63 |
13 |
11149 |
540.4 |
-2.9 |
0.766 |
7 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
34 |
10 |
10999 |
◊ |
A |
x-1,y+1,z |
1_465 |
46 |
15 |
11003 |
383.9 |
-4.4 |
0.402 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
33 |
7 |
11303 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
11003 |
289.0 |
-3.3 |
0.497 |
3 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
22 |
8 |
11149 |
◊ |
D |
x,y-1,z+1 |
1_546 |
24 |
7 |
11303 |
222.5 |
-3.1 |
0.406 |
1 |
1 |
0 |
0.000 |
6 |
7 |
|
[PW7]D:501 |
11 |
1 |
295 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
11303 |
129.2 |
1.8 |
0.103 |
0 |
0 |
0 |
0.000 |
8 |
|
[PW7]C:305 |
11 |
1 |
294 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
10999 |
124.0 |
1.6 |
0.078 |
0 |
0 |
0 |
0.000 |
Average: |
126.6 |
1.7 |
0.090 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[PW7]B:505 |
10 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
11003 |
125.9 |
1.6 |
0.144 |
1 |
0 |
0 |
0.000 |
10 |
|
[PW7]B:501 |
10 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
11149 |
123.9 |
1.6 |
0.116 |
0 |
0 |
0 |
0.000 |
Average: |
124.9 |
1.6 |
0.130 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
9 |
2 |
11303 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
9 |
11003 |
125.9 |
-0.8 |
0.277 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
9 |
10999 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
11149 |
121.2 |
-1.2 |
0.239 |
1 |
0 |
0 |
0.000 |
Average: |
123.5 |
-1.0 |
0.258 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[PW7]B:501 |
8 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
11003 |
113.9 |
1.4 |
0.203 |
2 |
0 |
0 |
0.000 |
14 |
|
[PW7]B:505 |
9 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11149 |
113.2 |
1.4 |
0.150 |
2 |
0 |
0 |
0.000 |
Average: |
113.5 |
1.4 |
0.177 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[PW7]C:305 |
9 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
11303 |
111.9 |
1.5 |
0.120 |
2 |
0 |
0 |
0.000 |
16 |
|
[PW7]D:501 |
9 |
1 |
295 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
10999 |
107.6 |
1.1 |
0.107 |
2 |
0 |
0 |
0.000 |
Average: |
109.7 |
1.3 |
0.113 |
2 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
14 |
4 |
11149 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
11003 |
110.8 |
-1.5 |
0.467 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]C:304 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
14 |
9 |
10999 |
103.9 |
3.3 |
0.532 |
1 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:304 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
10 |
11003 |
102.3 |
3.2 |
0.518 |
2 |
0 |
0 |
0.000 |
Average: |
103.1 |
3.2 |
0.525 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
[EDO]C:306 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
10 |
11303 |
102.6 |
3.3 |
0.528 |
2 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]B:506 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
10 |
11149 |
102.1 |
3.2 |
0.506 |
2 |
0 |
0 |
0.000 |
15 |
22 |
|
D |
12 |
4 |
11303 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
13 |
7 |
11003 |
100.7 |
-2.0 |
0.368 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]C:301 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
10999 |
99.6 |
3.2 |
0.329 |
4 |
0 |
0 |
0.000 |
17 |
24 |
|
[EDO]B:502 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11149 |
86.6 |
1.9 |
0.297 |
3 |
0 |
0 |
0.000 |
18 |
25 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
11149 |
56.9 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.077 |
19 |
26 |
|
B |
7 |
1 |
11149 |
x |
B |
x-1,y,z |
1_455 |
10 |
3 |
11149 |
55.3 |
-0.5 |
0.576 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
10999 |
52.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.166 |
28 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11003 |
52.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.166 |
29 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11149 |
51.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.166 |
30 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
11303 |
48.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.166 |
Average: |
51.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.166 |
21 |
31 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11003 |
48.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.163 |
32 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
11149 |
47.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.163 |
33 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
11303 |
47.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.163 |
34 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
10999 |
46.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.163 |
Average: |
47.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.163 |
22 |
35 |
|
[EDO]A:304 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11149 |
40.7 |
0.8 |
0.896 |
2 |
0 |
0 |
0.000 |
23 |
36 |
|
[EDO]C:306 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
10999 |
40.5 |
0.8 |
0.909 |
2 |
0 |
0 |
0.000 |
24 |
37 |
|
[EDO]C:304 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
11303 |
40.3 |
0.8 |
0.912 |
2 |
0 |
0 |
0.000 |
25 |
38 |
|
[EDO]B:506 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
11003 |
39.1 |
0.7 |
0.896 |
2 |
0 |
0 |
0.001 |
26 |
39 |
|
A |
5 |
2 |
11003 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11149 |
38.1 |
-0.8 |
0.122 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
D |
6 |
2 |
11303 |
x |
D |
x,y-1,z |
1_545 |
7 |
2 |
11303 |
35.9 |
-0.5 |
0.565 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
11003 |
29.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.035 |
29 |
42 |
|
D |
2 |
2 |
11303 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
10999 |
28.3 |
-0.5 |
0.348 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.058 |
31 |
44 |
|
D |
2 |
1 |
11303 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
11149 |
21.4 |
-0.6 |
0.332 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
[MG]C:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.043 |
33 |
46 |
|
[MG]B:504 |
1 |
1 |
98 |
f |
[MG]B:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.035 |
34 |
47 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.035 |
35 |
48 |
|
C |
2 |
2 |
10999 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
2 |
11149 |
9.2 |
-0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
C |
2 |
1 |
10999 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11003 |
4.8 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
A |
2 |
1 |
11003 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11149 |
0.8 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
|