## |
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 |
208 |
49 |
14755 |
◊ |
A |
x,y,z |
1_555 |
203 |
51 |
14807 |
1888.8 |
-29.0 |
0.016 |
34 |
1 |
0 |
0.317 |
2 |
|
D |
197 |
48 |
14749 |
◊ |
C |
x,y,z |
1_555 |
201 |
51 |
14779 |
1849.7 |
-27.2 |
0.027 |
30 |
2 |
0 |
0.317 |
Average: |
1869.3 |
-28.1 |
0.022 |
32 |
2 |
0 |
0.317 |
2 |
3 |
|
D |
119 |
31 |
14749 |
◊ |
B |
x,y,z |
1_555 |
117 |
31 |
14755 |
1059.7 |
0.2 |
0.812 |
14 |
3 |
0 |
0.045 |
4 |
|
C |
118 |
31 |
14779 |
◊ |
A |
x,y,z |
1_555 |
118 |
32 |
14807 |
1048.8 |
0.8 |
0.829 |
18 |
8 |
0 |
0.045 |
Average: |
1054.3 |
0.5 |
0.820 |
16 |
6 |
0 |
0.045 |
3 |
5 |
|
C |
71 |
19 |
14779 |
◊ |
B |
x,y,z |
1_555 |
73 |
20 |
14755 |
712.9 |
-7.7 |
0.233 |
10 |
6 |
0 |
0.079 |
6 |
|
D |
72 |
20 |
14749 |
◊ |
A |
x,y,z |
1_555 |
71 |
19 |
14807 |
711.8 |
-7.4 |
0.240 |
10 |
7 |
0 |
0.079 |
Average: |
712.3 |
-7.6 |
0.237 |
10 |
7 |
0 |
0.079 |
4 |
7 |
|
B |
55 |
13 |
14755 |
◊ |
A |
x-1,y,z |
1_455 |
52 |
15 |
14807 |
464.7 |
1.5 |
0.810 |
10 |
3 |
0 |
0.000 |
5 |
8 |
|
D |
44 |
12 |
14749 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
44 |
15 |
14807 |
391.4 |
-1.8 |
0.521 |
3 |
1 |
0 |
0.000 |
6 |
9 |
|
B |
33 |
9 |
14755 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
25 |
8 |
14807 |
257.2 |
-1.1 |
0.562 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[SBT]C:353 |
5 |
1 |
229 |
◊ |
C |
x,y,z |
1_555 |
28 |
11 |
14779 |
154.2 |
3.8 |
0.222 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[SBT]A:353 |
5 |
1 |
226 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
14807 |
150.8 |
3.7 |
0.291 |
2 |
0 |
0 |
0.000 |
9 |
12 |
|
[SBT]D:353 |
5 |
1 |
228 |
◊ |
D |
x,y,z |
1_555 |
28 |
11 |
14749 |
149.9 |
3.7 |
0.284 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
D |
18 |
5 |
14749 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
26 |
7 |
14779 |
148.0 |
-2.2 |
0.329 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
[SBT]B:353 |
5 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
14755 |
141.9 |
3.7 |
0.318 |
2 |
0 |
0 |
0.000 |
12 |
15 |
|
C |
16 |
6 |
14779 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
4 |
14749 |
99.6 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
C |
11 |
4 |
14779 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
15 |
4 |
14755 |
84.6 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[CL]B:355 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14755 |
71.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.117 |
18 |
|
[CL]A:355 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14807 |
68.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.117 |
19 |
|
[CL]C:355 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
14779 |
67.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.117 |
20 |
|
[CL]D:355 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
14749 |
66.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
68.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.117 |
15 |
21 |
|
[ZN]A:354 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14807 |
57.2 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.548 |
22 |
|
[ZN]D:354 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14749 |
56.6 |
-37.5 |
0.000 |
0 |
0 |
0 |
0.548 |
23 |
|
[ZN]B:354 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
14755 |
56.2 |
-37.8 |
0.000 |
0 |
0 |
0 |
0.548 |
24 |
|
[ZN]C:354 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
14779 |
53.3 |
-38.1 |
0.000 |
0 |
0 |
0 |
0.548 |
Average: |
55.8 |
-37.9 |
0.000 |
0 |
0 |
0 |
0.548 |
16 |
25 |
|
[MG]C:356 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
14779 |
48.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.085 |
26 |
|
[MG]D:356 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
14749 |
48.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.085 |
27 |
|
[MG]A:356 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
14807 |
42.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.085 |
28 |
|
[MG]B:356 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
14755 |
39.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
45.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.085 |
17 |
29 |
|
[SBT]B:353 |
4 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
14807 |
30.5 |
0.2 |
0.162 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[SBT]A:353 |
3 |
1 |
226 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
14755 |
29.8 |
0.3 |
0.180 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[SBT]D:353 |
3 |
1 |
228 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
14779 |
29.1 |
0.3 |
0.187 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[SBT]C:353 |
4 |
1 |
229 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
14749 |
27.8 |
0.2 |
0.201 |
0 |
0 |
0 |
0.000 |
21 |
33 |
|
[CL]C:355 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14807 |
22.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.022 |
34 |
|
[CL]B:355 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
14749 |
20.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.022 |
35 |
|
[CL]A:355 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
14779 |
18.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.022 |
36 |
|
[CL]D:355 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
14755 |
16.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.022 |
Average: |
19.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.022 |
22 |
37 |
|
D |
1 |
1 |
14749 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
14755 |
16.7 |
0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
23 |
38 |
|
[MG]B:356 |
1 |
1 |
98 |
◊ |
[CL]D:355 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.007 |
24 |
39 |
|
[MG]D:356 |
1 |
1 |
98 |
◊ |
[CL]B:355 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.004 |
25 |
40 |
|
[MG]A:356 |
1 |
1 |
98 |
◊ |
[CL]C:355 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.0 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
|