## |
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 |
|
C |
109 |
30 |
11505 |
◊ |
A |
x,y,z |
1_555 |
102 |
27 |
11269 |
1065.7 |
-14.3 |
0.070 |
8 |
2 |
0 |
0.446 |
2 |
|
D |
99 |
27 |
11435 |
◊ |
B |
x,y,z |
1_555 |
108 |
30 |
11549 |
1044.8 |
-16.6 |
0.032 |
7 |
1 |
0 |
0.446 |
Average: |
1055.3 |
-15.5 |
0.051 |
8 |
2 |
0 |
0.446 |
2 |
3 |
|
C |
74 |
23 |
11505 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
81 |
26 |
11269 |
794.9 |
-8.8 |
0.156 |
5 |
0 |
0 |
0.000 |
4 |
|
B |
77 |
23 |
11549 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
81 |
25 |
11435 |
777.3 |
-7.9 |
0.225 |
4 |
0 |
0 |
0.000 |
Average: |
786.1 |
-8.3 |
0.191 |
5 |
0 |
0 |
0.000 |
3 |
5 |
|
D |
61 |
19 |
11435 |
◊ |
C |
x,y,z |
1_555 |
69 |
19 |
11505 |
616.2 |
-2.2 |
0.569 |
6 |
4 |
0 |
0.119 |
6 |
|
B |
67 |
19 |
11549 |
◊ |
A |
x,y,z |
1_555 |
63 |
19 |
11269 |
594.7 |
-2.9 |
0.522 |
6 |
4 |
0 |
0.119 |
Average: |
605.4 |
-2.6 |
0.546 |
6 |
4 |
0 |
0.119 |
4 |
7 |
|
[9QY]C:406 |
27 |
1 |
547 |
f |
C |
x,y,z |
1_555 |
67 |
24 |
11505 |
424.4 |
-13.3 |
0.255 |
1 |
0 |
0 |
0.675 |
8 |
|
[9QY]A:405 |
27 |
1 |
542 |
f |
A |
x,y,z |
1_555 |
61 |
22 |
11269 |
421.7 |
-12.9 |
0.204 |
2 |
0 |
0 |
0.675 |
9 |
|
[9QY]D:405 |
27 |
1 |
539 |
f |
D |
x,y,z |
1_555 |
59 |
22 |
11435 |
420.4 |
-12.8 |
0.204 |
2 |
0 |
0 |
0.675 |
10 |
|
[9QY]B:405 |
27 |
1 |
544 |
f |
B |
x,y,z |
1_555 |
62 |
21 |
11549 |
419.3 |
-13.3 |
0.230 |
1 |
0 |
0 |
0.675 |
Average: |
421.4 |
-13.1 |
0.223 |
2 |
0 |
0 |
0.675 |
5 |
11 |
|
A |
21 |
9 |
11269 |
◊ |
D |
-x-1/2,-y-1,z-1/2 |
2_444 |
19 |
7 |
11435 |
159.9 |
-1.0 |
0.521 |
0 |
0 |
0 |
0.000 |
6 |
12 |
|
[EDO]B:401 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
11549 |
101.9 |
2.9 |
0.487 |
3 |
0 |
0 |
0.000 |
7 |
13 |
|
[EDO]C:401 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
11505 |
101.4 |
2.9 |
0.500 |
2 |
0 |
0 |
0.000 |
8 |
14 |
|
[EDO]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
11549 |
98.7 |
3.4 |
0.551 |
2 |
0 |
0 |
0.000 |
9 |
15 |
|
[EDO]C:402 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
11505 |
85.6 |
2.9 |
0.320 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
[EDO]D:404 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
11435 |
83.4 |
2.1 |
0.214 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]A:404 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
11269 |
82.9 |
2.1 |
0.277 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]C:403 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
11505 |
78.9 |
1.9 |
0.266 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]D:403 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
11435 |
78.2 |
2.4 |
0.896 |
4 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]C:404 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
11505 |
76.7 |
1.6 |
0.220 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]B:402 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
11549 |
70.5 |
1.3 |
0.694 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]A:401 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11269 |
66.9 |
1.0 |
0.584 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[EDO]A:402 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
11269 |
63.7 |
2.1 |
0.923 |
4 |
0 |
0 |
0.000 |
18 |
24 |
|
[EDO]A:403 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11269 |
61.4 |
2.1 |
0.896 |
1 |
0 |
0 |
0.000 |
19 |
25 |
|
[EDO]D:402 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
11435 |
60.9 |
1.8 |
0.874 |
1 |
0 |
0 |
0.000 |
20 |
26 |
|
B |
6 |
4 |
11549 |
◊ |
[EDO]D:404 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
183 |
60.9 |
1.1 |
0.139 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[EDO]D:401 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
11435 |
60.8 |
0.4 |
0.456 |
1 |
0 |
0 |
0.000 |
22 |
28 |
|
[EDO]B:403 |
4 |
1 |
185 |
f |
D |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
11435 |
54.2 |
1.0 |
0.501 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[EDO]C:402 |
4 |
1 |
184 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
2 |
11269 |
48.4 |
0.6 |
0.467 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
11549 |
43.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.142 |
31 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
3 |
11505 |
41.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
42.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.142 |
25 |
32 |
|
B |
3 |
1 |
11549 |
◊ |
[EDO]D:401 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
184 |
40.7 |
1.3 |
0.960 |
1 |
0 |
0 |
0.000 |
26 |
33 |
|
C |
3 |
1 |
11505 |
◊ |
[EDO]A:401 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
185 |
39.9 |
1.5 |
0.948 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
[EDO]B:402 |
2 |
1 |
183 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
11435 |
35.6 |
1.7 |
0.973 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[EDO]C:403 |
4 |
1 |
185 |
◊ |
[EDO]C:402 |
x,y,z |
1_555 |
3 |
1 |
184 |
34.6 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[EDO]C:401 |
4 |
1 |
184 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
3 |
11269 |
33.6 |
1.3 |
0.900 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[EDO]B:401 |
4 |
1 |
185 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
11435 |
32.4 |
1.2 |
0.904 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[EDO]C:404 |
2 |
1 |
183 |
f |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
11269 |
31.0 |
1.2 |
0.962 |
1 |
0 |
0 |
0.000 |
32 |
39 |
|
[EDO]A:404 |
2 |
1 |
185 |
f |
[EDO]A:403 |
x,y,z |
1_555 |
2 |
1 |
185 |
19.0 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[EDO]C:401 |
2 |
1 |
184 |
f |
[EDO]A:401 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
185 |
11.7 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[EDO]B:401 |
1 |
1 |
185 |
◊ |
[EDO]D:401 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
184 |
8.2 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[9QY]A:405 |
2 |
1 |
542 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11549 |
4.7 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.003 |
43 |
|
[9QY]D:405 |
2 |
1 |
539 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11505 |
4.0 |
-0.1 |
0.560 |
0 |
0 |
0 |
0.003 |
Average: |
4.4 |
-0.1 |
0.549 |
0 |
0 |
0 |
0.003 |
36 |
44 |
|
C |
1 |
1 |
11505 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11549 |
1.2 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[EDO]D:404 |
1 |
1 |
183 |
f |
[EDO]D:401 |
x,y,z |
1_555 |
1 |
1 |
184 |
0.5 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
|