## |
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 |
139 |
44 |
13549 |
◊ |
A |
x,y,z |
1_555 |
138 |
45 |
13828 |
1303.1 |
13.7 |
0.976 |
27 |
37 |
0 |
0.006 |
2 |
|
D |
135 |
44 |
13524 |
◊ |
C |
x,y,z |
1_555 |
138 |
43 |
13668 |
1298.6 |
12.5 |
0.962 |
28 |
35 |
0 |
0.006 |
Average: |
1300.9 |
13.1 |
0.969 |
28 |
36 |
0 |
0.006 |
2 |
3 |
|
B |
112 |
33 |
13549 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
93 |
27 |
13828 |
873.6 |
2.4 |
0.686 |
5 |
1 |
0 |
0.000 |
4 |
|
C |
86 |
28 |
13668 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
99 |
30 |
13524 |
798.3 |
-0.9 |
0.487 |
3 |
1 |
0 |
0.000 |
Average: |
835.9 |
0.8 |
0.586 |
4 |
1 |
0 |
0.000 |
3 |
5 |
|
B |
32 |
9 |
13549 |
◊ |
A |
-x,y,-z |
2_555 |
35 |
15 |
13828 |
287.0 |
-0.7 |
0.400 |
4 |
0 |
0 |
0.003 |
6 |
|
D |
33 |
10 |
13524 |
◊ |
C |
-x,y,-z-1 |
2_554 |
35 |
15 |
13668 |
286.4 |
-1.1 |
0.361 |
4 |
0 |
0 |
0.003 |
Average: |
286.7 |
-0.9 |
0.381 |
4 |
0 |
0 |
0.003 |
4 |
7 |
|
C |
25 |
11 |
13668 |
◊ |
A |
x,y,z |
1_555 |
35 |
10 |
13828 |
265.6 |
-1.7 |
0.311 |
2 |
2 |
0 |
0.000 |
5 |
8 |
|
C |
12 |
5 |
13668 |
◊ |
C |
-x,y,-z-1 |
2_554 |
12 |
5 |
13668 |
93.5 |
-0.9 |
0.370 |
1 |
0 |
0 |
0.000 |
9 |
|
A |
11 |
4 |
13828 |
◊ |
A |
-x,y,-z |
2_555 |
11 |
4 |
13828 |
86.4 |
-0.7 |
0.407 |
0 |
0 |
0 |
0.000 |
Average: |
90.0 |
-0.8 |
0.388 |
1 |
0 |
0 |
0.001 |
6 |
10 |
|
[MG]C:408 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
13668 |
54.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.017 |
7 |
11 |
|
[MG]C:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
13668 |
54.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.017 |
8 |
12 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
13668 |
54.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.033 |
13 |
|
[MG]A:406 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
13828 |
51.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
53.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.033 |
9 |
14 |
|
[MG]C:407 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
13668 |
53.0 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.019 |
10 |
15 |
|
[MG]D:405 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
13524 |
50.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.033 |
11 |
16 |
|
[MG]D:404 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
10 |
13524 |
48.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.022 |
17 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
9 |
13668 |
48.0 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
48.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.022 |
12 |
18 |
|
[MG]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13828 |
41.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.031 |
13 |
19 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
13549 |
39.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.045 |
20 |
|
[MG]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
13524 |
37.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
38.4 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.045 |
14 |
21 |
|
[MG]D:403 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
13524 |
37.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.037 |
22 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
13549 |
36.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
36.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.037 |
15 |
23 |
|
[MG]A:407 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z |
2_555 |
7 |
4 |
13828 |
35.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.004 |
24 |
|
[MG]C:406 |
1 |
1 |
98 |
◊ |
C |
-x,y,-z-1 |
2_554 |
7 |
4 |
13668 |
35.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.004 |
Average: |
35.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.004 |
16 |
25 |
|
[MG]C:406 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
13668 |
33.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.024 |
26 |
|
[MG]A:407 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
13828 |
32.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.024 |
Average: |
33.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.024 |
17 |
27 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
13668 |
26.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.007 |
18 |
28 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13549 |
21.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
29 |
|
[MG]C:402 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
13524 |
21.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
30 |
|
[MG]C:402 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
13668 |
17.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.005 |
31 |
|
[MG]B:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13828 |
15.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
18.9 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.005 |
19 |
32 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
13668 |
20.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.018 |
33 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
13828 |
17.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.018 |
34 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
13549 |
17.2 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.018 |
35 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
13524 |
16.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
17.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.018 |
20 |
36 |
|
[MG]A:403 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13828 |
19.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
13668 |
18.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.004 |
22 |
38 |
|
[MG]A:405 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13524 |
16.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
[MG]A:407 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
13549 |
15.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
40 |
|
[MG]C:406 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
13524 |
14.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
15.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.001 |
24 |
41 |
|
[MG]A:404 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13828 |
13.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[MG]B:403 |
1 |
1 |
98 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
13828 |
12.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
3 |
1 |
13668 |
◊ |
[MG]D:403 |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
98 |
11.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
44 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
13828 |
11.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.002 |
45 |
|
[MG]C:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
13524 |
10.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
46 |
|
[MG]D:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
13668 |
6.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.002 |
47 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13549 |
4.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
8.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.002 |
27 |
48 |
|
[MG]C:407 |
1 |
1 |
98 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
13524 |
10.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
49 |
|
C |
2 |
1 |
13668 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13549 |
7.0 |
0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
29 |
50 |
|
D |
1 |
1 |
13524 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13828 |
5.8 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
|