## |
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 |
49 |
15 |
14710 |
◊ |
D |
x,y-1,z |
1_545 |
48 |
15 |
14651 |
469.9 |
-7.2 |
0.241 |
4 |
0 |
0 |
0.000 |
2 |
|
C |
53 |
16 |
14416 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
14625 |
466.8 |
-7.0 |
0.336 |
3 |
0 |
0 |
0.000 |
Average: |
468.3 |
-7.1 |
0.288 |
4 |
0 |
0 |
0.000 |
2 |
3 |
|
[FQQ]B:403 |
30 |
1 |
675 |
f |
B |
x,y,z |
1_555 |
67 |
22 |
14710 |
404.9 |
0.4 |
0.602 |
3 |
0 |
0 |
0.003 |
4 |
|
[FQQ]A:403 |
25 |
1 |
574 |
f |
A |
x,y,z |
1_555 |
60 |
20 |
14625 |
372.6 |
3.8 |
0.568 |
3 |
0 |
0 |
0.003 |
5 |
|
[FQQ]D:403 |
25 |
1 |
572 |
f |
D |
x,y,z |
1_555 |
60 |
20 |
14651 |
369.2 |
3.6 |
0.527 |
4 |
0 |
0 |
0.003 |
6 |
|
[FQQ]C:403 |
25 |
1 |
568 |
f |
C |
x,y,z |
1_555 |
59 |
20 |
14416 |
366.9 |
4.4 |
0.617 |
4 |
0 |
0 |
0.003 |
Average: |
378.4 |
3.0 |
0.579 |
4 |
0 |
0 |
0.003 |
3 |
7 |
|
C |
34 |
9 |
14416 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
25 |
7 |
14625 |
258.4 |
-3.6 |
0.383 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
B |
30 |
7 |
14710 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
14625 |
255.5 |
-3.1 |
0.437 |
3 |
4 |
0 |
0.000 |
5 |
9 |
|
C |
17 |
5 |
14416 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
6 |
14625 |
160.0 |
1.3 |
0.907 |
0 |
2 |
0 |
0.000 |
10 |
|
B |
14 |
4 |
14710 |
◊ |
D |
x-1,y-1,z |
1_445 |
17 |
5 |
14651 |
99.8 |
1.3 |
0.869 |
0 |
0 |
0 |
0.000 |
Average: |
129.9 |
1.3 |
0.888 |
0 |
1 |
0 |
0.000 |
6 |
11 |
|
B |
18 |
6 |
14710 |
◊ |
D |
-x+3,y-1/2,-z+1 |
2_846 |
18 |
7 |
14651 |
147.1 |
-3.2 |
0.248 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
12 |
2 |
14416 |
◊ |
A |
-x+3,y-1/2,-z |
2_845 |
13 |
4 |
14625 |
112.7 |
-2.5 |
0.261 |
0 |
0 |
0 |
0.000 |
Average: |
129.9 |
-2.8 |
0.255 |
0 |
0 |
0 |
0.000 |
7 |
13 |
|
[DMS]B:404 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
14710 |
136.0 |
2.6 |
0.569 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[DMS]C:404 |
4 |
1 |
208 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
14416 |
114.5 |
1.8 |
0.485 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
[DMS]A:404 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14625 |
109.2 |
0.9 |
0.403 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
[DMS]B:405 |
4 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
14710 |
107.2 |
1.7 |
0.496 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
A |
13 |
4 |
14625 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
2 |
14651 |
97.3 |
-2.5 |
0.225 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
11 |
4 |
14416 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
14710 |
90.6 |
-1.5 |
0.423 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
C |
10 |
4 |
14416 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
6 |
14710 |
84.3 |
0.2 |
0.702 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
D |
7 |
4 |
14651 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14625 |
61.3 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
14625 |
56.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.017 |
16 |
22 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
14625 |
35.7 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.066 |
23 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14710 |
35.7 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.066 |
24 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
14416 |
35.7 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.066 |
25 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
14651 |
35.4 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.066 |
Average: |
35.6 |
-23.4 |
0.000 |
0 |
0 |
0 |
0.066 |
17 |
26 |
|
C |
4 |
2 |
14416 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
14625 |
34.8 |
-1.1 |
0.155 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[FQQ]C:403 |
5 |
1 |
568 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.9 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.043 |
28 |
|
[FQQ]A:403 |
5 |
1 |
574 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.5 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.043 |
29 |
|
[FQQ]D:403 |
5 |
1 |
572 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.3 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.043 |
30 |
|
[FQQ]B:403 |
4 |
1 |
675 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.9 |
-15.3 |
0.000 |
0 |
0 |
0 |
0.043 |
Average: |
33.4 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.043 |
19 |
31 |
|
[DMS]C:404 |
2 |
1 |
208 |
f |
A |
x-1,y,z |
1_455 |
2 |
1 |
14625 |
15.7 |
-0.5 |
0.431 |
0 |
0 |
0 |
0.001 |
20 |
32 |
|
A |
1 |
1 |
14625 |
x |
A |
-x+3,y-1/2,-z |
2_845 |
1 |
1 |
14625 |
3.6 |
-0.0 |
0.539 |
0 |
0 |
0 |
0.000 |
|