## |
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 |
386 |
98 |
17697 |
◊ |
A |
x,y,z |
1_555 |
389 |
99 |
17742 |
3666.7 |
-51.2 |
0.001 |
49 |
17 |
0 |
0.896 |
2 |
2 |
|
C |
78 |
22 |
7296 |
◊ |
A |
x,y,z |
1_555 |
80 |
21 |
17742 |
735.9 |
-4.2 |
0.482 |
13 |
7 |
0 |
0.183 |
3 |
|
D |
72 |
19 |
6997 |
◊ |
B |
x,y,z |
1_555 |
74 |
20 |
17697 |
647.9 |
-4.1 |
0.481 |
10 |
7 |
0 |
0.183 |
Average: |
691.9 |
-4.2 |
0.481 |
12 |
7 |
0 |
0.183 |
3 |
4 |
|
A |
66 |
17 |
17742 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
66 |
18 |
7296 |
497.8 |
-0.5 |
0.709 |
5 |
5 |
0 |
0.051 |
4 |
5 |
|
C |
35 |
10 |
7296 |
◊ |
B |
x,y,z |
1_555 |
52 |
15 |
17697 |
425.1 |
-7.4 |
0.029 |
2 |
0 |
0 |
0.060 |
6 |
|
D |
37 |
10 |
6997 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
17742 |
420.2 |
-3.8 |
0.228 |
2 |
0 |
0 |
0.060 |
Average: |
422.6 |
-5.6 |
0.129 |
2 |
0 |
0 |
0.060 |
5 |
7 |
|
B |
44 |
13 |
17697 |
x |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
35 |
13 |
17697 |
394.8 |
-0.6 |
0.577 |
4 |
2 |
0 |
0.000 |
6 |
8 |
|
B |
40 |
13 |
17697 |
◊ |
A |
x,y-1,z |
1_545 |
28 |
9 |
17742 |
290.4 |
-1.3 |
0.527 |
2 |
1 |
0 |
0.000 |
7 |
9 |
|
[PLP]B:501 |
15 |
1 |
390 |
cf |
B |
x,y,z |
1_555 |
39 |
17 |
17697 |
243.4 |
1.8 |
0.684 |
6 |
0 |
0 |
0.100 |
10 |
|
[PLP]A:501 |
15 |
1 |
386 |
cf |
A |
x,y,z |
1_555 |
39 |
16 |
17742 |
237.2 |
2.2 |
0.718 |
7 |
0 |
0 |
0.100 |
Average: |
240.3 |
2.0 |
0.701 |
7 |
0 |
0 |
0.100 |
8 |
11 |
|
D |
26 |
9 |
6997 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
5 |
17742 |
229.2 |
-1.0 |
0.559 |
1 |
3 |
0 |
0.000 |
9 |
12 |
|
[PEG]A:503 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
17742 |
128.8 |
3.0 |
0.371 |
2 |
0 |
0 |
0.000 |
10 |
13 |
|
B |
12 |
3 |
17697 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
6 |
6997 |
125.1 |
1.4 |
0.803 |
1 |
0 |
0 |
0.000 |
11 |
14 |
|
A |
17 |
6 |
17742 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
17697 |
121.7 |
-0.8 |
0.502 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
A |
16 |
5 |
17742 |
◊ |
[PEG]A:502 |
x-1/2,-y-1/2,-z |
4_445 |
7 |
1 |
260 |
118.7 |
2.5 |
0.274 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[GOL]B:502 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
17697 |
115.3 |
-0.9 |
0.447 |
2 |
0 |
0 |
0.055 |
14 |
17 |
|
[GOL]B:502 |
4 |
1 |
221 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
5 |
17697 |
78.4 |
0.7 |
0.705 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
B |
6 |
2 |
17697 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
10 |
3 |
7296 |
70.3 |
0.6 |
0.756 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]A:502 |
6 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
17742 |
63.4 |
0.6 |
0.149 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[PLP]B:501 |
6 |
1 |
390 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17742 |
55.0 |
-2.5 |
0.327 |
2 |
0 |
0 |
0.079 |
21 |
|
[PLP]A:501 |
6 |
1 |
386 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
17697 |
51.8 |
-2.4 |
0.345 |
2 |
0 |
0 |
0.079 |
Average: |
53.4 |
-2.5 |
0.336 |
2 |
0 |
0 |
0.079 |
18 |
22 |
|
D |
8 |
3 |
6997 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
8 |
3 |
17742 |
53.0 |
0.8 |
0.782 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
A |
4 |
2 |
17742 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
5 |
7296 |
51.6 |
1.5 |
0.671 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[PEG]A:503 |
5 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
17697 |
44.1 |
-0.6 |
0.061 |
0 |
0 |
0 |
0.018 |
21 |
25 |
|
[ZN]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
6997 |
37.2 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.499 |
26 |
|
[ZN]C:202 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
7296 |
36.4 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.499 |
Average: |
36.8 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.499 |
22 |
27 |
|
[ZN]C:201 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
7296 |
35.3 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.274 |
23 |
28 |
|
A |
8 |
3 |
17742 |
◊ |
[ZN]C:201 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
98 |
34.9 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.303 |
24 |
29 |
|
[ZN]C:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17742 |
27.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.255 |
30 |
|
[ZN]D:201 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
17697 |
27.3 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.255 |
Average: |
27.4 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.255 |
25 |
31 |
|
D |
4 |
2 |
6997 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
17697 |
18.5 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[PEG]A:502 |
2 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
7296 |
15.7 |
-0.7 |
0.112 |
0 |
0 |
0 |
0.010 |
27 |
33 |
|
B |
1 |
1 |
17697 |
◊ |
[PEG]A:503 |
x,y-1,z |
1_545 |
3 |
1 |
261 |
10.5 |
0.4 |
0.336 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
B |
1 |
1 |
17697 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
17742 |
7.6 |
0.4 |
0.879 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
A |
3 |
2 |
17742 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
2 |
2 |
17742 |
6.3 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
B |
1 |
1 |
17697 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
7296 |
1.3 |
0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
|