| ## |
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 |
100 |
26 |
8924 |
◊ |
A |
x,y,z |
1_555 |
104 |
29 |
8915 |
1009.2 |
-18.3 |
0.040 |
11 |
7 |
0 |
0.126 |
| 2 |
2 |
|
A |
57 |
17 |
8915 |
◊ |
B |
x,y-1,z |
1_545 |
48 |
17 |
8924 |
484.7 |
-3.3 |
0.564 |
7 |
4 |
0 |
0.000 |
| 3 |
3 |
|
B |
36 |
12 |
8924 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
44 |
14 |
8924 |
381.6 |
-2.6 |
0.611 |
2 |
4 |
0 |
0.000 |
| 4 |
4 |
|
[ACP]A:209 |
28 |
1 |
639 |
f |
A |
x,y,z |
1_555 |
42 |
16 |
8915 |
294.7 |
-1.9 |
0.622 |
14 |
0 |
0 |
0.042 |
| 5 |
5 |
|
[TMP]B:201 |
20 |
1 |
477 |
f |
B |
x,y,z |
1_555 |
42 |
13 |
8924 |
291.8 |
-2.0 |
0.739 |
8 |
0 |
0 |
0.059 |
6 |
|
[TMP]A:201 |
20 |
1 |
475 |
f |
A |
x,y,z |
1_555 |
39 |
14 |
8915 |
290.8 |
-1.7 |
0.724 |
9 |
0 |
0 |
0.059 |
| Average: |
291.3 |
-1.8 |
0.732 |
9 |
0 |
0 |
0.059 |
| 6 |
7 |
|
A |
34 |
9 |
8915 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
28 |
8 |
8915 |
289.0 |
-0.9 |
0.601 |
4 |
4 |
0 |
0.000 |
| 7 |
8 |
|
A |
34 |
8 |
8915 |
◊ |
B |
x-1,y,z |
1_455 |
37 |
8 |
8924 |
274.3 |
-4.4 |
0.338 |
0 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
16 |
4 |
8915 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
18 |
6 |
8915 |
179.5 |
0.6 |
0.756 |
4 |
8 |
0 |
0.000 |
| 9 |
10 |
|
A |
16 |
5 |
8915 |
◊ |
B |
x-1,y-1,z |
1_445 |
22 |
7 |
8924 |
171.1 |
-1.8 |
0.479 |
1 |
0 |
0 |
0.000 |
| 10 |
11 |
|
B |
16 |
6 |
8924 |
x |
B |
x-1,y,z |
1_455 |
13 |
5 |
8924 |
152.8 |
1.6 |
0.863 |
3 |
1 |
0 |
0.000 |
12 |
|
A |
17 |
7 |
8915 |
x |
A |
x-1,y,z |
1_455 |
22 |
5 |
8915 |
145.5 |
-1.4 |
0.441 |
0 |
0 |
0 |
0.000 |
| Average: |
149.1 |
0.1 |
0.652 |
2 |
1 |
0 |
0.000 |
| 11 |
13 |
|
A |
15 |
3 |
8915 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
15 |
5 |
8924 |
123.6 |
-0.2 |
0.560 |
0 |
2 |
0 |
0.000 |
| 12 |
14 |
|
[CL]B:209 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8924 |
79.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.064 |
| 13 |
15 |
|
[CL]B:210 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8924 |
69.5 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.055 |
| 14 |
16 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
8915 |
64.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.049 |
| 15 |
17 |
|
[CL]B:208 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
8924 |
62.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.045 |
| 16 |
18 |
|
[CL]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8915 |
58.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.046 |
| 17 |
19 |
|
[MG]A:206 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
8915 |
54.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.096 |
20 |
|
[MG]B:207 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
8924 |
51.0 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.096 |
| Average: |
52.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.096 |
| 18 |
21 |
|
[MG]B:205 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
8924 |
54.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.047 |
| 19 |
22 |
|
[MG]B:206 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
8924 |
54.0 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.051 |
| 20 |
23 |
|
[MG]A:203 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
8915 |
51.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.103 |
24 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
8924 |
51.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
51.2 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.103 |
| 21 |
25 |
|
[MG]B:204 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
8924 |
49.3 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| 22 |
26 |
|
[MG]B:203 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
8924 |
42.9 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.086 |
27 |
|
[MG]A:204 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
8915 |
42.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.086 |
| Average: |
42.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.086 |
| 23 |
28 |
|
[ACP]A:209 |
7 |
1 |
639 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
8915 |
42.7 |
-0.6 |
0.575 |
1 |
0 |
0 |
0.000 |
| 24 |
29 |
|
B |
6 |
3 |
8924 |
◊ |
[CL]B:208 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
38.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[ACP]A:209 |
5 |
1 |
639 |
f |
[MG]A:205 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.025 |
| 26 |
31 |
|
A |
3 |
3 |
8915 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
8924 |
35.5 |
-0.3 |
0.504 |
0 |
0 |
0 |
0.000 |
| 27 |
32 |
|
[MG]A:205 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8915 |
33.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.020 |
| 28 |
33 |
|
[CL]A:207 |
1 |
1 |
125 |
◊ |
B |
x-1,y-1,z |
1_445 |
3 |
1 |
8924 |
31.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[ACP]A:209 |
4 |
1 |
639 |
f |
[TMP]A:201 |
x,y,z |
1_555 |
4 |
1 |
475 |
27.2 |
-0.3 |
0.559 |
0 |
0 |
0 |
0.001 |
| 30 |
35 |
|
[MG]B:203 |
1 |
1 |
98 |
f |
[TMP]B:201 |
x,y,z |
1_555 |
4 |
1 |
477 |
18.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.021 |
36 |
|
[MG]A:204 |
1 |
1 |
98 |
f |
[TMP]A:201 |
x,y,z |
1_555 |
4 |
1 |
475 |
17.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.021 |
| Average: |
18.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.021 |
| 31 |
37 |
|
[ACP]A:209 |
2 |
1 |
639 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
8924 |
12.1 |
-0.8 |
0.338 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[MG]B:205 |
1 |
1 |
98 |
f |
[TMP]B:201 |
x,y,z |
1_555 |
3 |
1 |
477 |
10.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 33 |
39 |
|
[MG]A:205 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
8915 |
10.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[MG]B:207 |
1 |
1 |
98 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8924 |
8.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
A |
1 |
1 |
8915 |
◊ |
[TMP]B:201 |
x,y-1,z |
1_545 |
1 |
1 |
477 |
7.9 |
-0.3 |
0.488 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[MG]A:205 |
1 |
1 |
98 |
f |
[TMP]A:201 |
x,y,z |
1_555 |
1 |
1 |
475 |
4.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 37 |
43 |
|
[CL]B:209 |
1 |
1 |
125 |
f |
[MG]B:204 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 38 |
44 |
|
[CL]A:207 |
1 |
1 |
125 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
8924 |
2.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|