## |
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 |
591 |
138 |
21063 |
◊ |
C |
x,y,z |
1_555 |
588 |
138 |
21124 |
5529.4 |
-72.7 |
0.000 |
91 |
20 |
0 |
0.798 |
2 |
|
B |
586 |
138 |
21193 |
◊ |
A |
x,y,z |
1_555 |
578 |
138 |
21092 |
5517.8 |
-73.5 |
0.000 |
90 |
20 |
0 |
0.798 |
Average: |
5523.6 |
-73.1 |
0.000 |
91 |
20 |
0 |
0.798 |
2 |
3 |
|
D |
137 |
36 |
21063 |
◊ |
B |
x,y,z |
1_555 |
132 |
35 |
21193 |
1219.2 |
-3.3 |
0.653 |
19 |
13 |
0 |
0.080 |
4 |
|
C |
130 |
33 |
21124 |
◊ |
A |
x,y,z |
1_555 |
122 |
32 |
21092 |
1191.8 |
-3.1 |
0.652 |
15 |
13 |
0 |
0.080 |
Average: |
1205.5 |
-3.2 |
0.652 |
17 |
13 |
0 |
0.080 |
3 |
5 |
|
A |
39 |
12 |
21092 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
40 |
13 |
21063 |
315.5 |
2.1 |
0.819 |
3 |
1 |
0 |
0.000 |
4 |
6 |
|
A |
32 |
10 |
21092 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
30 |
9 |
21193 |
262.8 |
0.4 |
0.716 |
5 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
33 |
13 |
21124 |
◊ |
B |
x-1,y,z-1 |
1_454 |
26 |
9 |
21193 |
242.2 |
4.0 |
0.928 |
2 |
2 |
0 |
0.000 |
6 |
8 |
|
[PLP]A:2000 |
15 |
1 |
386 |
cf |
A |
x,y,z |
1_555 |
41 |
16 |
21092 |
236.2 |
0.9 |
0.607 |
3 |
0 |
0 |
0.006 |
9 |
|
[PLP]B:2000 |
15 |
1 |
387 |
cf |
B |
x,y,z |
1_555 |
41 |
16 |
21193 |
234.3 |
0.9 |
0.602 |
3 |
0 |
0 |
0.006 |
10 |
|
[PLP]C:2000 |
15 |
1 |
385 |
cf |
C |
x,y,z |
1_555 |
42 |
17 |
21124 |
231.8 |
0.9 |
0.604 |
3 |
0 |
0 |
0.006 |
11 |
|
[PLP]D:2000 |
15 |
1 |
385 |
cf |
D |
x,y,z |
1_555 |
42 |
16 |
21063 |
231.3 |
1.0 |
0.615 |
3 |
0 |
0 |
0.006 |
Average: |
233.4 |
0.9 |
0.607 |
3 |
0 |
0 |
0.006 |
7 |
12 |
|
A |
21 |
8 |
21092 |
◊ |
B |
x-1,y,z |
1_455 |
25 |
8 |
21193 |
176.0 |
-0.2 |
0.622 |
4 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
23 |
7 |
21092 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
6 |
21193 |
162.2 |
0.2 |
0.642 |
1 |
0 |
0 |
0.000 |
9 |
14 |
|
C |
15 |
7 |
21124 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
20 |
7 |
21063 |
150.2 |
0.6 |
0.693 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
C |
16 |
7 |
21124 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
5 |
21092 |
116.3 |
0.2 |
0.674 |
0 |
1 |
0 |
0.000 |
11 |
16 |
|
D |
10 |
5 |
21063 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
6 |
21193 |
99.9 |
-0.3 |
0.429 |
1 |
0 |
0 |
0.000 |
12 |
17 |
|
[CL]D:1474 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
19 |
11 |
21063 |
79.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.147 |
18 |
|
[CL]B:1474 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
9 |
21193 |
77.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.147 |
19 |
|
[CL]A:1475 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
17 |
10 |
21092 |
77.0 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.147 |
20 |
|
[CL]C:1474 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
19 |
11 |
21124 |
76.2 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
77.5 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.147 |
13 |
21 |
|
[PLP]B:2000 |
5 |
1 |
387 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
21092 |
71.2 |
-2.8 |
0.310 |
2 |
0 |
0 |
0.050 |
22 |
|
[PLP]D:2000 |
6 |
1 |
385 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
21124 |
71.1 |
-2.8 |
0.334 |
2 |
0 |
0 |
0.050 |
23 |
|
[PLP]A:2000 |
6 |
1 |
386 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
21193 |
71.0 |
-2.7 |
0.340 |
2 |
0 |
0 |
0.050 |
24 |
|
[PLP]C:2000 |
6 |
1 |
385 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
21063 |
70.6 |
-2.7 |
0.325 |
2 |
0 |
0 |
0.050 |
Average: |
71.0 |
-2.8 |
0.327 |
2 |
0 |
0 |
0.050 |
14 |
25 |
|
C |
4 |
1 |
21124 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
21193 |
50.7 |
-0.9 |
0.214 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
D |
7 |
2 |
21063 |
x |
D |
x-1,y,z |
1_455 |
4 |
2 |
21063 |
37.5 |
0.6 |
0.779 |
1 |
1 |
0 |
0.000 |
16 |
27 |
|
B |
5 |
1 |
21193 |
x |
B |
x-1,y,z |
1_455 |
4 |
2 |
21193 |
17.7 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
A |
4 |
2 |
21092 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
21063 |
16.5 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
D |
4 |
1 |
21063 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
3 |
21193 |
13.7 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
3 |
3 |
21124 |
◊ |
A |
x-1,y,z-1 |
1_454 |
5 |
1 |
21092 |
9.2 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
Average: |
11.5 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
D |
2 |
1 |
21063 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
21124 |
8.9 |
-0.2 |
0.401 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
A |
1 |
1 |
21092 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
21124 |
1.8 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
|