## |
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 |
|
[YNC]A:501 |
60 |
1 |
1169 |
f |
A |
x,y,z |
1_555 |
113 |
39 |
17661 |
807.6 |
-5.5 |
0.273 |
15 |
0 |
0 |
0.046 |
2 |
|
[YNC]C:501 |
60 |
1 |
1166 |
f |
C |
x,y,z |
1_555 |
107 |
38 |
17220 |
806.8 |
-5.6 |
0.266 |
16 |
0 |
0 |
0.046 |
3 |
|
[YNC]B:502 |
60 |
1 |
1165 |
f |
B |
x,y,z |
1_555 |
110 |
39 |
17605 |
805.9 |
-5.5 |
0.285 |
16 |
0 |
0 |
0.046 |
Average: |
806.8 |
-5.5 |
0.275 |
16 |
0 |
0 |
0.046 |
2 |
4 |
|
C |
61 |
16 |
17220 |
x |
C |
x-1,y,z |
1_455 |
59 |
19 |
17220 |
531.4 |
5.1 |
0.910 |
7 |
4 |
0 |
0.000 |
5 |
|
A |
49 |
15 |
17661 |
x |
A |
x-1,y,z |
1_455 |
52 |
19 |
17661 |
450.8 |
4.5 |
0.896 |
8 |
3 |
0 |
0.000 |
6 |
|
B |
53 |
19 |
17605 |
x |
B |
x-1,y,z |
1_455 |
54 |
16 |
17605 |
448.3 |
4.0 |
0.875 |
9 |
2 |
0 |
0.000 |
Average: |
476.8 |
4.5 |
0.894 |
8 |
3 |
0 |
0.000 |
3 |
7 |
|
[JCY]B:503 |
32 |
1 |
687 |
f |
B |
x,y,z |
1_555 |
72 |
28 |
17605 |
519.9 |
-6.8 |
0.328 |
2 |
0 |
0 |
0.031 |
8 |
|
[JCY]C:502 |
32 |
1 |
686 |
f |
C |
x,y,z |
1_555 |
73 |
27 |
17220 |
519.7 |
-7.6 |
0.269 |
2 |
0 |
0 |
0.031 |
9 |
|
[JCY]A:502 |
32 |
1 |
681 |
f |
A |
x,y,z |
1_555 |
73 |
28 |
17661 |
517.9 |
-6.8 |
0.325 |
2 |
0 |
0 |
0.031 |
Average: |
519.2 |
-7.1 |
0.308 |
2 |
0 |
0 |
0.031 |
4 |
10 |
|
B |
50 |
14 |
17605 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
48 |
14 |
17661 |
476.6 |
-4.5 |
0.217 |
8 |
2 |
0 |
0.000 |
11 |
|
C |
49 |
15 |
17220 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
48 |
15 |
17605 |
470.2 |
-4.2 |
0.246 |
8 |
2 |
0 |
0.000 |
Average: |
473.4 |
-4.3 |
0.231 |
8 |
2 |
0 |
0.000 |
5 |
12 |
|
B |
45 |
19 |
17605 |
◊ |
A |
x,y,z |
1_555 |
49 |
19 |
17661 |
361.6 |
-0.0 |
0.616 |
6 |
4 |
0 |
0.000 |
6 |
13 |
|
C |
38 |
18 |
17220 |
x |
C |
x-1/2,-y-3/2,-z |
4_435 |
33 |
10 |
17220 |
344.6 |
-0.5 |
0.481 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
C |
43 |
14 |
17220 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
36 |
11 |
17661 |
329.1 |
0.9 |
0.694 |
6 |
7 |
0 |
0.000 |
8 |
15 |
|
B |
19 |
6 |
17605 |
◊ |
C |
-x-1/2,-y-1,z-1/2 |
2_444 |
22 |
4 |
17220 |
181.4 |
-2.8 |
0.196 |
1 |
0 |
0 |
0.000 |
9 |
16 |
|
B |
19 |
7 |
17605 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
22 |
9 |
17661 |
151.3 |
1.1 |
0.736 |
1 |
0 |
0 |
0.000 |
17 |
|
C |
15 |
4 |
17220 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
15 |
6 |
17605 |
116.6 |
0.1 |
0.554 |
2 |
0 |
0 |
0.000 |
Average: |
134.0 |
0.6 |
0.645 |
2 |
0 |
0 |
0.000 |
10 |
18 |
|
[EDO]B:504 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
17605 |
125.7 |
3.9 |
0.630 |
3 |
0 |
0 |
0.000 |
11 |
19 |
|
[EDO]C:503 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
17220 |
122.0 |
3.9 |
0.635 |
3 |
0 |
0 |
0.000 |
12 |
20 |
|
B |
11 |
7 |
17605 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
7 |
2 |
17220 |
85.6 |
0.6 |
0.731 |
1 |
1 |
0 |
0.000 |
13 |
21 |
|
[SO4]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
2 |
17661 |
67.7 |
-9.2 |
0.814 |
2 |
0 |
0 |
0.026 |
14 |
22 |
|
C |
6 |
3 |
17220 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17661 |
60.1 |
0.6 |
0.750 |
1 |
0 |
0 |
0.000 |
15 |
23 |
|
[SO4]B:501 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
17605 |
58.8 |
-6.3 |
0.955 |
3 |
0 |
0 |
0.022 |
16 |
24 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17220 |
57.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.028 |
25 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
17605 |
56.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.028 |
26 |
|
[CL]A:504 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
17661 |
56.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.028 |
Average: |
56.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.028 |
17 |
27 |
|
[SO4]B:501 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
17661 |
55.9 |
-6.3 |
0.922 |
2 |
0 |
0 |
0.000 |
18 |
28 |
|
[JCY]B:503 |
4 |
1 |
687 |
f |
[YNC]B:502 |
x,y,z |
1_555 |
7 |
1 |
1165 |
52.4 |
-1.6 |
0.338 |
0 |
0 |
0 |
0.005 |
29 |
|
[JCY]A:502 |
4 |
1 |
681 |
f |
[YNC]A:501 |
x,y,z |
1_555 |
8 |
1 |
1169 |
52.2 |
-1.5 |
0.354 |
0 |
0 |
0 |
0.005 |
30 |
|
[JCY]C:502 |
4 |
1 |
686 |
f |
[YNC]C:501 |
x,y,z |
1_555 |
8 |
1 |
1166 |
51.7 |
-1.4 |
0.365 |
0 |
0 |
0 |
0.005 |
Average: |
52.1 |
-1.5 |
0.352 |
0 |
0 |
0 |
0.005 |
19 |
31 |
|
[SO4]A:503 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
7 |
2 |
17661 |
43.9 |
-5.7 |
0.823 |
1 |
0 |
0 |
0.000 |
20 |
32 |
|
B |
5 |
2 |
17605 |
◊ |
[CL]B:505 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
41.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
33 |
|
[CL]C:504 |
1 |
1 |
125 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
17220 |
41.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
|
[CL]A:504 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
17661 |
41.0 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
41.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
A |
8 |
5 |
17661 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
13 |
6 |
17661 |
35.2 |
0.5 |
0.670 |
1 |
1 |
0 |
0.000 |
22 |
36 |
|
C |
1 |
1 |
17220 |
◊ |
[YNC]C:501 |
x-1,y,z |
1_455 |
1 |
1 |
1166 |
3.9 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
1 |
1 |
17661 |
◊ |
[YNC]A:501 |
x-1,y,z |
1_455 |
1 |
1 |
1169 |
3.7 |
-0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
38 |
|
[YNC]B:502 |
1 |
1 |
1165 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
17605 |
3.6 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
Average: |
3.7 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
|