## |
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 |
316 |
79 |
11149 |
◊ |
A |
x,y,z |
1_555 |
307 |
78 |
11131 |
3001.7 |
-48.0 |
0.035 |
30 |
13 |
0 |
0.666 |
2 |
|
D |
304 |
79 |
11135 |
◊ |
C |
x,y,z |
1_555 |
293 |
76 |
10972 |
2959.3 |
-50.5 |
0.070 |
21 |
8 |
0 |
0.666 |
Average: |
2980.5 |
-49.2 |
0.052 |
26 |
11 |
0 |
0.666 |
2 |
3 |
|
D |
66 |
16 |
11135 |
◊ |
B |
x-1,y,z |
1_455 |
68 |
16 |
11149 |
509.3 |
-3.7 |
0.726 |
5 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
36 |
10 |
10972 |
◊ |
A |
x-1,y+1,z |
1_465 |
45 |
15 |
11131 |
385.0 |
-4.5 |
0.436 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
32 |
7 |
11135 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
11131 |
288.5 |
-3.0 |
0.552 |
3 |
1 |
0 |
0.000 |
5 |
6 |
|
B |
24 |
8 |
11149 |
◊ |
D |
x,y-1,z+1 |
1_546 |
26 |
9 |
11135 |
246.8 |
-1.7 |
0.623 |
3 |
4 |
0 |
0.000 |
6 |
7 |
|
[K3J]C:305 |
10 |
1 |
317 |
f |
C |
x,y,z |
1_555 |
20 |
5 |
10972 |
147.9 |
1.4 |
0.291 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
[K3J]C:304 |
10 |
1 |
315 |
f |
D |
x,y,z |
1_555 |
18 |
5 |
11135 |
138.7 |
1.2 |
0.252 |
2 |
0 |
0 |
0.000 |
9 |
|
[K3J]A:305 |
10 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
23 |
5 |
11131 |
138.4 |
1.1 |
0.270 |
2 |
0 |
0 |
0.000 |
10 |
|
[K3J]A:304 |
10 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
22 |
5 |
11149 |
138.0 |
1.1 |
0.267 |
2 |
0 |
0 |
0.000 |
Average: |
138.3 |
1.1 |
0.263 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
10 |
3 |
11135 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
9 |
11131 |
129.5 |
-0.7 |
0.322 |
1 |
0 |
0 |
0.000 |
12 |
|
C |
13 |
9 |
10972 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
2 |
11149 |
121.9 |
-1.2 |
0.252 |
1 |
0 |
0 |
0.000 |
Average: |
125.7 |
-1.0 |
0.287 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[K3J]A:305 |
10 |
1 |
316 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
11149 |
123.6 |
0.9 |
0.237 |
0 |
0 |
0 |
0.000 |
14 |
|
[K3J]C:304 |
10 |
1 |
315 |
◊ |
C |
x,y,z |
1_555 |
19 |
3 |
10972 |
118.2 |
0.9 |
0.231 |
0 |
0 |
0 |
0.000 |
15 |
|
[K3J]A:304 |
10 |
1 |
315 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
11131 |
117.6 |
0.8 |
0.220 |
0 |
0 |
0 |
0.000 |
Average: |
119.8 |
0.9 |
0.229 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[K3J]C:305 |
10 |
1 |
317 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
11135 |
117.9 |
1.0 |
0.249 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
13 |
3 |
11149 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
11131 |
106.4 |
-1.6 |
0.445 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
D |
12 |
4 |
11135 |
◊ |
A |
x-1,y+1,z-1 |
1_464 |
13 |
7 |
11131 |
103.4 |
-2.0 |
0.383 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]A:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
10 |
11131 |
103.2 |
3.3 |
0.529 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:304 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
9 |
11149 |
103.0 |
3.2 |
0.504 |
2 |
0 |
0 |
0.000 |
Average: |
103.1 |
3.3 |
0.516 |
2 |
0 |
0 |
0.000 |
14 |
21 |
|
[EDO]C:306 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
13 |
10 |
10972 |
102.2 |
3.4 |
0.509 |
2 |
0 |
0 |
0.000 |
15 |
22 |
|
[EDO]C:301 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
10972 |
99.6 |
3.6 |
0.570 |
3 |
0 |
0 |
0.000 |
16 |
23 |
|
[EDO]B:301 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
11149 |
92.6 |
2.4 |
0.306 |
2 |
0 |
0 |
0.000 |
17 |
24 |
|
[MG]B:302 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
11149 |
55.6 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.238 |
25 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11131 |
53.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.238 |
26 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
10972 |
51.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.238 |
27 |
|
[MG]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
11135 |
47.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.238 |
28 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
11135 |
46.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.238 |
Average: |
50.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.238 |
18 |
29 |
|
[CL]A:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
11149 |
54.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.073 |
19 |
30 |
|
B |
7 |
1 |
11149 |
x |
B |
x-1,y,z |
1_455 |
8 |
2 |
11149 |
51.7 |
-0.1 |
0.608 |
0 |
0 |
0 |
0.000 |
20 |
31 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11131 |
49.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.164 |
32 |
|
[MG]C:302 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
10972 |
48.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.164 |
33 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
11149 |
47.2 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.164 |
Average: |
48.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.164 |
21 |
34 |
|
[EDO]A:306 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
11149 |
42.0 |
0.8 |
0.889 |
2 |
0 |
0 |
0.002 |
35 |
|
[EDO]B:304 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
11131 |
38.5 |
0.8 |
0.895 |
2 |
0 |
0 |
0.002 |
Average: |
40.2 |
0.8 |
0.892 |
2 |
0 |
0 |
0.002 |
22 |
36 |
|
[EDO]C:306 |
3 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
11135 |
40.0 |
0.8 |
0.911 |
2 |
0 |
0 |
0.000 |
23 |
37 |
|
A |
6 |
2 |
11131 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
11149 |
36.9 |
-0.7 |
0.129 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
D |
3 |
2 |
11135 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
10972 |
30.3 |
-0.5 |
0.431 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
11131 |
29.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.033 |
26 |
40 |
|
D |
2 |
1 |
11135 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
11149 |
28.4 |
-0.7 |
0.291 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
D |
6 |
2 |
11135 |
x |
D |
x,y-1,z |
1_545 |
4 |
2 |
11135 |
27.3 |
-0.3 |
0.632 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
[MG]D:302 |
1 |
1 |
98 |
f |
[MG]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.057 |
29 |
43 |
|
[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 |
0.042 |
30 |
44 |
|
[MG]A:302 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.035 |
31 |
45 |
|
C |
1 |
1 |
10972 |
◊ |
B |
x,y,z-1 |
1_554 |
3 |
1 |
11149 |
13.7 |
-0.4 |
0.299 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
C |
2 |
1 |
10972 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11131 |
7.7 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
A |
1 |
1 |
11131 |
◊ |
D |
x,y-1,z+1 |
1_546 |
1 |
1 |
11135 |
7.7 |
0.2 |
0.529 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
[MG]B:302 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.010 |
|