## |
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 |
|
A |
54 |
18 |
6767 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
54 |
18 |
6767 |
541.7 |
1.2 |
0.557 |
4 |
0 |
0 |
0.002 |
2 |
2 |
|
A |
48 |
10 |
6767 |
◊ |
A |
y,x,-z-1 |
7_554 |
49 |
10 |
6767 |
425.4 |
-2.2 |
0.277 |
3 |
8 |
0 |
0.018 |
3 |
3 |
|
A |
33 |
10 |
6767 |
x |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
35 |
13 |
6767 |
277.6 |
2.5 |
0.702 |
3 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
18 |
6 |
6767 |
x |
A |
-y-1/2,x+1/2,z+3/4 |
3_455 |
18 |
7 |
6767 |
146.1 |
0.1 |
0.506 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
[DMS]A:201 |
4 |
1 |
209 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
6767 |
128.6 |
2.5 |
0.446 |
1 |
0 |
0 |
0.000 |
6 |
6 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
6767 |
70.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.090 |
7 |
7 |
|
[CL]A:211 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
6767 |
69.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.073 |
8 |
8 |
|
A |
7 |
2 |
6767 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
7 |
2 |
6767 |
69.3 |
-1.7 |
0.122 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[PT]A:204 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6767 |
63.3 |
-18.3 |
0.000 |
0 |
0 |
0 |
0.139 |
10 |
10 |
|
[NA]A:203 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
6767 |
61.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.084 |
11 |
11 |
|
A |
8 |
4 |
6767 |
f |
[CL]A:202 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
1 |
1 |
125 |
52.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.054 |
12 |
12 |
|
[CL]A:212 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6767 |
50.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.049 |
13 |
13 |
|
[PT]A:207 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6767 |
48.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.094 |
14 |
14 |
|
[CL]A:202 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
6767 |
48.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
15 |
15 |
|
A |
9 |
4 |
6767 |
x |
A |
x,y,z-1 |
1_554 |
5 |
1 |
6767 |
44.3 |
0.2 |
0.506 |
0 |
0 |
0 |
0.000 |
16 |
16 |
|
[CL]A:206 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6767 |
44.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.051 |
17 |
17 |
|
[PT]A:205 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
6767 |
37.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.070 |
18 |
18 |
|
[CL]A:212 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z-1/2 |
8_554 |
6 |
2 |
6767 |
36.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.033 |
19 |
19 |
|
[NH3]A:209 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
6767 |
36.7 |
0.9 |
0.852 |
0 |
0 |
0 |
0.000 |
20 |
|
[NH3]A:210 |
1 |
1 |
117 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
6767 |
31.8 |
0.9 |
0.914 |
0 |
0 |
0 |
0.000 |
Average: |
34.2 |
0.9 |
0.883 |
0 |
0 |
0 |
0.000 |
20 |
21 |
|
[NH3]A:209 |
1 |
1 |
117 |
f |
[PT]A:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.031 |
21 |
22 |
|
[NH3]A:210 |
1 |
1 |
117 |
f |
[PT]A:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.5 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.032 |
22 |
23 |
|
[PT]A:207 |
1 |
1 |
125 |
f |
[PT]A:204 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.075 |
23 |
24 |
|
[PT]A:205 |
1 |
1 |
125 |
f |
[CL]A:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.4 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.052 |
24 |
25 |
|
[NH3]A:210 |
1 |
1 |
117 |
f |
[NH3]A:209 |
x,y,z |
1_555 |
1 |
1 |
117 |
22.1 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
25 |
26 |
|
[NH3]A:209 |
1 |
1 |
117 |
f |
[CL]A:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.012 |
26 |
27 |
|
[CL]A:212 |
1 |
1 |
125 |
◊ |
[CL]A:212 |
-y,-x,-z-1/2 |
8_554 |
1 |
1 |
125 |
17.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.013 |
27 |
28 |
|
[NH3]A:210 |
1 |
1 |
117 |
f |
[PT]A:207 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
28 |
29 |
|
[NA]A:203 |
1 |
1 |
125 |
f |
[CL]A:211 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.022 |
29 |
30 |
|
[PT]A:207 |
1 |
1 |
125 |
◊ |
A |
y,x,-z-1 |
7_554 |
4 |
1 |
6767 |
12.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.028 |
31 |
|
[PT]A:204 |
1 |
1 |
125 |
◊ |
A |
y,x,-z-1 |
7_554 |
3 |
1 |
6767 |
6.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
9.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.028 |
30 |
32 |
|
[NH3]A:210 |
1 |
1 |
117 |
f |
[CL]A:206 |
x,y,z |
1_555 |
1 |
1 |
125 |
12.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.008 |
31 |
33 |
|
[PT]A:207 |
1 |
1 |
125 |
f |
[PT]A:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.030 |
32 |
34 |
|
A |
1 |
1 |
6767 |
x |
A |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
1 |
1 |
6767 |
1.7 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|