## |
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 |
194 |
48 |
9919 |
◊ |
C |
x,y,z |
1_555 |
192 |
46 |
10322 |
1783.0 |
-4.8 |
0.628 |
36 |
10 |
0 |
0.163 |
2 |
|
B |
188 |
45 |
10347 |
◊ |
A |
x,y,z |
1_555 |
196 |
47 |
10481 |
1773.3 |
-3.9 |
0.495 |
35 |
10 |
0 |
0.163 |
Average: |
1778.2 |
-4.3 |
0.561 |
36 |
10 |
0 |
0.163 |
2 |
3 |
|
A |
54 |
16 |
10481 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
53 |
17 |
10347 |
465.6 |
5.2 |
0.887 |
10 |
2 |
0 |
0.000 |
4 |
|
C |
35 |
12 |
10322 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
35 |
12 |
9919 |
314.1 |
1.4 |
0.759 |
7 |
0 |
0 |
0.000 |
Average: |
389.8 |
3.3 |
0.823 |
9 |
1 |
0 |
0.000 |
3 |
5 |
|
C |
30 |
13 |
10322 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
10481 |
298.2 |
3.1 |
0.842 |
7 |
7 |
0 |
0.000 |
4 |
6 |
|
C |
25 |
7 |
10322 |
◊ |
A |
x,y-1,z |
1_545 |
33 |
8 |
10481 |
258.8 |
0.8 |
0.672 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
27 |
8 |
9919 |
◊ |
B |
x,y-1,z |
1_545 |
33 |
9 |
10347 |
252.6 |
1.1 |
0.728 |
1 |
3 |
0 |
0.000 |
6 |
8 |
|
A |
26 |
9 |
10481 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
32 |
11 |
10347 |
247.3 |
1.0 |
0.693 |
3 |
0 |
0 |
0.000 |
9 |
|
D |
24 |
11 |
9919 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
28 |
11 |
10322 |
229.7 |
-0.3 |
0.602 |
3 |
0 |
0 |
0.000 |
Average: |
238.5 |
0.4 |
0.648 |
3 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
20 |
5 |
10322 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
24 |
6 |
10347 |
181.9 |
-0.6 |
0.525 |
2 |
2 |
0 |
0.000 |
8 |
11 |
|
A |
21 |
10 |
10481 |
x |
A |
x,y-1,z |
1_545 |
13 |
4 |
10481 |
181.5 |
1.6 |
0.767 |
3 |
2 |
0 |
0.000 |
12 |
|
D |
7 |
3 |
9919 |
x |
D |
x,y-1,z |
1_545 |
6 |
3 |
9919 |
60.4 |
0.1 |
0.449 |
0 |
0 |
0 |
0.000 |
Average: |
120.9 |
0.9 |
0.608 |
2 |
1 |
0 |
0.000 |
9 |
13 |
|
D |
20 |
6 |
9919 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
10347 |
161.1 |
1.7 |
0.797 |
3 |
4 |
0 |
0.000 |
10 |
14 |
|
B |
16 |
6 |
10347 |
x |
B |
x,y-1,z |
1_545 |
12 |
3 |
10347 |
149.1 |
-0.7 |
0.437 |
1 |
0 |
0 |
0.000 |
15 |
|
C |
18 |
6 |
10322 |
x |
C |
x,y-1,z |
1_545 |
14 |
3 |
10322 |
148.5 |
-1.3 |
0.389 |
0 |
0 |
0 |
0.000 |
Average: |
148.8 |
-1.0 |
0.413 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
C |
13 |
5 |
10322 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
5 |
10322 |
124.1 |
0.5 |
0.466 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
13 |
5 |
10347 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
14 |
5 |
10347 |
117.6 |
0.1 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
120.8 |
0.3 |
0.449 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[CL]C:407 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
9919 |
77.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.058 |
13 |
19 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
9919 |
77.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.166 |
20 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
10481 |
76.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.166 |
21 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
10347 |
76.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.166 |
22 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
10 |
10322 |
76.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.166 |
Average: |
76.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.166 |
14 |
23 |
|
[CL]D:406 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
9919 |
55.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.050 |
15 |
24 |
|
[ZN]B:300 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
10347 |
49.9 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.601 |
25 |
|
[ZN]A:300 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
10481 |
49.6 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.601 |
26 |
|
[ZN]C:300 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
10322 |
49.6 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.601 |
27 |
|
[ZN]D:300 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
9919 |
49.4 |
-38.5 |
0.000 |
0 |
0 |
0 |
0.601 |
Average: |
49.6 |
-38.6 |
0.000 |
0 |
0 |
0 |
0.601 |
16 |
28 |
|
[CL]B:405 |
1 |
1 |
125 |
f |
B |
-x+1/2,y-1/2,-z |
4_545 |
8 |
3 |
10347 |
41.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.038 |
17 |
29 |
|
[CL]D:408 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
9919 |
40.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.032 |
18 |
30 |
|
[CL]C:407 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
10322 |
34.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
19 |
31 |
|
[CL]B:405 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10347 |
29.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[CL]D:404 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
10322 |
21.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.030 |
33 |
|
[CL]A:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
10347 |
21.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.030 |
34 |
|
[CL]C:403 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
9919 |
20.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.030 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10481 |
20.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
21.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.030 |
21 |
36 |
|
[MG]C:400 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
10322 |
20.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
22 |
37 |
|
C |
3 |
2 |
10322 |
◊ |
[CL]D:408 |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
125 |
18.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
B |
4 |
3 |
10347 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
3 |
10481 |
13.8 |
0.2 |
0.680 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
3 |
2 |
10322 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
9919 |
8.9 |
-0.0 |
0.421 |
0 |
0 |
0 |
0.000 |
Average: |
11.4 |
0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
24 |
40 |
|
A |
1 |
1 |
10481 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
10347 |
11.1 |
-0.0 |
0.410 |
0 |
0 |
0 |
0.000 |
41 |
|
D |
1 |
1 |
9919 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
10322 |
1.6 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
Average: |
6.4 |
-0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
D |
3 |
2 |
9919 |
◊ |
[MG]C:400 |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
98 |
9.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
D |
2 |
1 |
9919 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10481 |
7.7 |
-0.2 |
0.320 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
D |
4 |
2 |
9919 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
10481 |
6.3 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
D |
2 |
2 |
9919 |
x |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
9919 |
6.3 |
0.1 |
0.600 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
1 |
1 |
10481 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
10481 |
0.8 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
3.5 |
0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
29 |
47 |
|
D |
1 |
1 |
9919 |
◊ |
D |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
9919 |
3.9 |
0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
30 |
48 |
|
[CL]D:404 |
1 |
1 |
125 |
f |
[ZN]D:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
31 |
49 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
[ZN]A:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
32 |
50 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
[ZN]C:300 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
|