## |
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 |
218 |
57 |
14845 |
◊ |
B |
-x+y-1,y,-z+1/3 |
5_455 |
217 |
57 |
14845 |
2069.7 |
-24.6 |
0.058 |
22 |
12 |
0 |
0.149 |
2 |
|
C |
218 |
56 |
14806 |
◊ |
A |
-x+y-1,y,-z+1/3 |
5_455 |
218 |
56 |
14843 |
2033.8 |
-26.4 |
0.047 |
20 |
13 |
0 |
0.149 |
Average: |
2051.7 |
-25.5 |
0.053 |
21 |
13 |
0 |
0.149 |
2 |
3 |
|
C |
72 |
23 |
14806 |
◊ |
A |
x,y,z |
1_555 |
69 |
17 |
14843 |
685.5 |
-1.8 |
0.560 |
10 |
4 |
0 |
0.042 |
4 |
|
B |
70 |
17 |
14845 |
◊ |
A |
x,y,z |
1_555 |
71 |
23 |
14843 |
678.5 |
-2.2 |
0.547 |
8 |
5 |
0 |
0.042 |
5 |
|
C |
70 |
17 |
14806 |
◊ |
B |
x,y,z |
1_555 |
66 |
22 |
14845 |
673.6 |
-3.5 |
0.477 |
7 |
5 |
0 |
0.042 |
Average: |
679.2 |
-2.5 |
0.528 |
8 |
5 |
0 |
0.042 |
3 |
6 |
|
C |
39 |
10 |
14806 |
◊ |
C |
-y-1,-x-1,-z+2/3 |
4_445 |
39 |
10 |
14806 |
363.3 |
-2.5 |
0.472 |
8 |
0 |
0 |
0.000 |
4 |
7 |
|
[RI2]C:401 |
18 |
1 |
434 |
f |
C |
x,y,z |
1_555 |
50 |
24 |
14806 |
296.6 |
-9.4 |
0.624 |
15 |
0 |
0 |
0.131 |
8 |
|
[RI2]A:401 |
18 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
50 |
24 |
14843 |
295.7 |
-9.2 |
0.628 |
16 |
0 |
0 |
0.131 |
9 |
|
[RI2]B:401 |
18 |
1 |
434 |
f |
B |
x,y,z |
1_555 |
50 |
25 |
14845 |
294.4 |
-9.2 |
0.614 |
15 |
0 |
0 |
0.131 |
Average: |
295.6 |
-9.3 |
0.622 |
15 |
0 |
0 |
0.131 |
5 |
10 |
|
B |
31 |
9 |
14845 |
◊ |
A |
-x+y-1,y,-z+1/3 |
5_455 |
28 |
7 |
14843 |
266.7 |
1.4 |
0.807 |
0 |
5 |
0 |
0.000 |
11 |
|
C |
25 |
7 |
14806 |
◊ |
C |
-x+y-1,y,-z+1/3 |
5_455 |
25 |
7 |
14806 |
254.0 |
1.7 |
0.833 |
0 |
6 |
0 |
0.000 |
Average: |
260.3 |
1.6 |
0.820 |
0 |
6 |
0 |
0.000 |
6 |
12 |
|
B |
22 |
6 |
14845 |
◊ |
B |
-x+y,y,-z+1/3 |
5_555 |
22 |
6 |
14845 |
233.1 |
-0.3 |
0.632 |
2 |
4 |
0 |
0.000 |
13 |
|
C |
22 |
7 |
14806 |
◊ |
A |
-x+y,y,-z+1/3 |
5_555 |
21 |
6 |
14843 |
222.8 |
-0.0 |
0.669 |
5 |
4 |
0 |
0.000 |
Average: |
227.9 |
-0.2 |
0.650 |
4 |
4 |
0 |
0.000 |
7 |
14 |
|
[K]C:402 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
14806 |
110.8 |
-80.3 |
0.000 |
0 |
0 |
0 |
0.635 |
15 |
|
[K]A:402 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
14843 |
109.6 |
-78.5 |
0.000 |
0 |
0 |
0 |
0.635 |
16 |
|
[K]B:402 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
14845 |
107.3 |
-77.2 |
0.000 |
0 |
0 |
0 |
0.635 |
Average: |
109.2 |
-78.7 |
0.000 |
0 |
0 |
0 |
0.635 |
8 |
17 |
|
C |
11 |
2 |
14806 |
◊ |
A |
-y-1,x-y,z+1/3 |
2_455 |
14 |
6 |
14843 |
99.8 |
-0.5 |
0.553 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
[MPD]A:404 |
6 |
1 |
278 |
f |
C |
-x+y-1,y,-z+1/3 |
5_455 |
13 |
5 |
14806 |
86.5 |
-5.9 |
0.621 |
0 |
0 |
0 |
0.042 |
10 |
19 |
|
[MPD]A:404 |
6 |
1 |
278 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
14843 |
80.9 |
-5.7 |
0.609 |
0 |
0 |
0 |
0.022 |
11 |
20 |
|
[CL]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
14806 |
75.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.085 |
21 |
|
[CL]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14845 |
75.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.085 |
22 |
|
[CL]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
14843 |
73.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
74.7 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.085 |
12 |
23 |
|
B |
10 |
4 |
14845 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
14843 |
58.7 |
-0.5 |
0.525 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
B |
2 |
1 |
14845 |
◊ |
A |
x-1,y-1,z |
1_445 |
3 |
1 |
14843 |
36.2 |
1.3 |
0.901 |
1 |
2 |
0 |
0.000 |
14 |
25 |
|
[K]B:402 |
1 |
1 |
216 |
◊ |
A |
-x+y-1,y,-z+1/3 |
5_455 |
6 |
2 |
14843 |
36.1 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.127 |
26 |
|
[K]A:402 |
1 |
1 |
216 |
◊ |
B |
-x+y-1,y,-z+1/3 |
5_455 |
6 |
2 |
14845 |
31.8 |
-16.1 |
0.000 |
0 |
0 |
0 |
0.127 |
27 |
|
[K]C:402 |
1 |
1 |
216 |
◊ |
C |
-x+y-1,y,-z+1/3 |
5_455 |
4 |
2 |
14806 |
28.9 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
32.3 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.127 |
15 |
28 |
|
[K]B:402 |
1 |
1 |
216 |
◊ |
[K]A:402 |
-x+y-1,y,-z+1/3 |
5_455 |
1 |
1 |
216 |
27.0 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.100 |
16 |
29 |
|
[K]C:402 |
1 |
1 |
216 |
◊ |
[K]C:402 |
-x+y-1,y,-z+1/3 |
5_455 |
1 |
1 |
216 |
26.8 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.096 |
17 |
30 |
|
B |
3 |
2 |
14845 |
◊ |
C |
-x+y-1,y-1,-z+1/3 |
5_445 |
3 |
3 |
14806 |
26.7 |
0.5 |
0.563 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[CL]A:403 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
14806 |
22.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
32 |
|
[CL]B:403 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14843 |
22.0 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.014 |
33 |
|
[CL]C:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
14845 |
20.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
21.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.014 |
19 |
34 |
|
[MPD]A:404 |
1 |
1 |
278 |
◊ |
B |
-x+y-1,y,-z+1/3 |
5_455 |
1 |
1 |
14845 |
10.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
20 |
35 |
|
C |
1 |
1 |
14806 |
◊ |
A |
-y,x-y,z+1/3 |
2_555 |
1 |
1 |
14843 |
1.3 |
0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
|