| ## |
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 |
429 |
112 |
19698 |
◊ |
C |
x,y,z |
1_555 |
421 |
113 |
19530 |
4015.6 |
-36.8 |
0.058 |
83 |
30 |
0 |
0.507 |
2 |
|
B |
416 |
110 |
19526 |
◊ |
A |
x,y,z |
1_555 |
421 |
113 |
19470 |
3971.6 |
-35.5 |
0.061 |
78 |
30 |
0 |
0.507 |
3 |
|
E |
416 |
112 |
19724 |
◊ |
E |
-x+2,-x+y+1,-z+1 |
6_766 |
415 |
112 |
19724 |
3953.7 |
-31.7 |
0.114 |
88 |
28 |
0 |
0.507 |
| Average: |
3980.3 |
-34.7 |
0.078 |
83 |
29 |
0 |
0.507 |
| 2 |
4 |
|
E |
76 |
19 |
19724 |
◊ |
D |
-x+2,-x+y+1,-z+1 |
6_766 |
85 |
20 |
19698 |
691.5 |
-0.5 |
0.714 |
17 |
11 |
0 |
0.197 |
5 |
|
E |
85 |
20 |
19724 |
◊ |
C |
x,y,z |
1_555 |
73 |
19 |
19530 |
689.6 |
-0.7 |
0.689 |
17 |
10 |
0 |
0.197 |
6 |
|
B |
75 |
19 |
19526 |
◊ |
A |
-x+2,-x+y+1,-z+1 |
6_766 |
84 |
20 |
19470 |
685.3 |
-0.2 |
0.729 |
13 |
9 |
0 |
0.197 |
7 |
|
C |
87 |
20 |
19530 |
◊ |
A |
x,y,z |
1_555 |
74 |
18 |
19470 |
684.3 |
-2.0 |
0.600 |
18 |
11 |
0 |
0.197 |
8 |
|
D |
74 |
19 |
19698 |
◊ |
B |
x,y,z |
1_555 |
80 |
20 |
19526 |
683.6 |
-1.0 |
0.679 |
19 |
10 |
0 |
0.197 |
| Average: |
686.9 |
-0.9 |
0.682 |
17 |
10 |
0 |
0.197 |
| 3 |
9 |
|
C |
55 |
15 |
19530 |
◊ |
B |
x,y,z |
1_555 |
56 |
16 |
19526 |
523.1 |
-7.4 |
0.107 |
0 |
0 |
0 |
0.036 |
10 |
|
E |
55 |
16 |
19724 |
◊ |
D |
x,y,z |
1_555 |
53 |
14 |
19698 |
518.5 |
-6.3 |
0.172 |
0 |
0 |
0 |
0.036 |
11 |
|
A |
56 |
15 |
19470 |
◊ |
A |
-x+2,-x+y+1,-z+1 |
6_766 |
57 |
15 |
19470 |
487.2 |
-7.0 |
0.139 |
0 |
0 |
0 |
0.036 |
| Average: |
509.6 |
-6.9 |
0.139 |
0 |
0 |
0 |
0.036 |
| 4 |
12 |
|
D |
49 |
12 |
19698 |
◊ |
B |
-x+y-1,-x+3,z |
3_485 |
52 |
15 |
19526 |
435.8 |
-5.7 |
0.194 |
2 |
0 |
0 |
0.000 |
| 5 |
13 |
|
[CAP]D:501 |
20 |
1 |
485 |
f |
D |
x,y,z |
1_555 |
50 |
23 |
19698 |
297.3 |
-5.4 |
0.571 |
15 |
0 |
0 |
0.237 |
14 |
|
[CAP]E:501 |
20 |
1 |
486 |
f |
E |
x,y,z |
1_555 |
51 |
24 |
19724 |
294.7 |
-4.9 |
0.587 |
14 |
0 |
0 |
0.237 |
15 |
|
[CAP]C:501 |
20 |
1 |
483 |
f |
C |
x,y,z |
1_555 |
53 |
23 |
19530 |
291.6 |
-5.6 |
0.565 |
15 |
0 |
0 |
0.237 |
16 |
|
[CAP]A:501 |
20 |
1 |
474 |
f |
A |
x,y,z |
1_555 |
53 |
23 |
19470 |
285.9 |
-4.8 |
0.577 |
16 |
0 |
0 |
0.237 |
17 |
|
[CAP]B:501 |
20 |
1 |
477 |
f |
B |
x,y,z |
1_555 |
53 |
24 |
19526 |
284.2 |
-5.6 |
0.565 |
14 |
0 |
0 |
0.237 |
| Average: |
290.7 |
-5.3 |
0.573 |
15 |
0 |
0 |
0.237 |
| 6 |
18 |
|
A |
25 |
8 |
19470 |
◊ |
A |
-x+2,-x+y+1,-z |
6_765 |
24 |
8 |
19470 |
160.3 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.000 |
| 7 |
19 |
|
E |
16 |
4 |
19724 |
◊ |
C |
-x+2,-x+y+1,-z |
6_765 |
14 |
4 |
19530 |
125.2 |
0.8 |
0.755 |
2 |
1 |
0 |
0.000 |
| 8 |
20 |
|
[CAP]E:501 |
13 |
1 |
486 |
◊ |
E |
-x+2,-x+y+1,-z+1 |
6_766 |
13 |
4 |
19724 |
88.6 |
-0.1 |
0.833 |
2 |
0 |
0 |
0.014 |
| 9 |
21 |
|
[CAP]B:501 |
12 |
1 |
477 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19470 |
88.3 |
-0.1 |
0.839 |
3 |
0 |
0 |
0.020 |
22 |
|
[CAP]C:501 |
13 |
1 |
483 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
19698 |
87.2 |
-0.1 |
0.843 |
2 |
0 |
0 |
0.020 |
23 |
|
[CAP]A:501 |
11 |
1 |
474 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
19526 |
85.0 |
-0.2 |
0.810 |
3 |
0 |
0 |
0.020 |
24 |
|
[CAP]D:501 |
12 |
1 |
485 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
19530 |
83.4 |
-0.1 |
0.805 |
2 |
0 |
0 |
0.020 |
| Average: |
86.0 |
-0.1 |
0.824 |
3 |
0 |
0 |
0.020 |
| 10 |
25 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
19698 |
76.9 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.215 |
26 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
19530 |
73.9 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.215 |
27 |
|
[CL]E:504 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
19724 |
73.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.215 |
28 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
19526 |
73.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.215 |
29 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
19470 |
73.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.215 |
| Average: |
74.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.215 |
| 11 |
30 |
|
D |
10 |
4 |
19698 |
x |
D |
-x+y-1,-x+3,z |
3_485 |
8 |
2 |
19698 |
56.9 |
0.9 |
0.758 |
1 |
0 |
0 |
0.000 |
| 12 |
31 |
|
[MG]A:503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
19470 |
39.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.090 |
32 |
|
[MG]B:503 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19526 |
38.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.090 |
33 |
|
[MG]D:503 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
19698 |
38.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.090 |
34 |
|
[MG]C:503 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
19530 |
38.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.090 |
35 |
|
[MG]E:503 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
19724 |
37.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
38.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.090 |
| 13 |
36 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
E |
-x+2,-x+y+1,-z+1 |
6_766 |
7 |
3 |
19724 |
37.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.095 |
37 |
|
[MG]E:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
19530 |
37.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.095 |
38 |
|
[MG]C:503 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
19470 |
37.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.095 |
39 |
|
[MG]B:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
19698 |
37.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.095 |
40 |
|
[MG]A:503 |
1 |
1 |
98 |
f |
B |
-x+2,-x+y+1,-z+1 |
6_766 |
7 |
3 |
19526 |
37.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.095 |
| Average: |
37.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.095 |
| 14 |
41 |
|
[MG]E:502 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
19724 |
31.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.098 |
42 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
19530 |
31.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.098 |
43 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
19526 |
30.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.098 |
44 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
19698 |
30.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.098 |
45 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19470 |
30.0 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.098 |
| Average: |
30.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.098 |
| 15 |
46 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[CAP]A:501 |
x,y,z |
1_555 |
3 |
1 |
474 |
28.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.067 |
47 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
[CAP]C:501 |
x,y,z |
1_555 |
3 |
1 |
483 |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.067 |
48 |
|
[MG]E:502 |
1 |
1 |
98 |
f |
[CAP]E:501 |
x,y,z |
1_555 |
3 |
1 |
486 |
28.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.067 |
49 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
[CAP]D:501 |
x,y,z |
1_555 |
3 |
1 |
485 |
28.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.067 |
50 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
[CAP]B:501 |
x,y,z |
1_555 |
3 |
1 |
477 |
27.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.067 |
| Average: |
28.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.067 |
| 16 |
51 |
|
D |
4 |
1 |
19698 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19470 |
23.9 |
-0.5 |
0.337 |
0 |
0 |
0 |
0.003 |
52 |
|
B |
4 |
1 |
19526 |
◊ |
B |
-x+2,-x+y+1,-z+1 |
6_766 |
4 |
1 |
19526 |
23.8 |
-0.5 |
0.321 |
0 |
0 |
0 |
0.003 |
53 |
|
E |
4 |
1 |
19724 |
◊ |
C |
-x+2,-x+y+1,-z+1 |
6_766 |
4 |
1 |
19530 |
22.5 |
-0.5 |
0.321 |
0 |
0 |
0 |
0.003 |
| Average: |
23.4 |
-0.5 |
0.326 |
0 |
0 |
0 |
0.003 |
| 17 |
54 |
|
A |
3 |
1 |
19470 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
19526 |
19.7 |
-0.2 |
0.452 |
0 |
0 |
0 |
0.000 |
| 18 |
55 |
|
[MG]A:502 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
19526 |
14.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
56 |
|
[MG]D:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19530 |
13.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
57 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19470 |
13.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
58 |
|
[MG]C:502 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
19698 |
12.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
59 |
|
[MG]E:502 |
1 |
1 |
98 |
◊ |
E |
-x+2,-x+y+1,-z+1 |
6_766 |
1 |
1 |
19724 |
10.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
12.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
|