## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
C |
171 |
13 |
3303 |
◊ |
A |
x,y,z |
1_555 |
201 |
64 |
22132 |
1583.7 |
-25.6 |
0.489 |
22 |
0 |
0 |
0.323 |
2 |
|
D |
147 |
10 |
3544 |
◊ |
B |
x,y,z |
1_555 |
181 |
56 |
22522 |
1388.4 |
-18.3 |
0.303 |
15 |
0 |
0 |
0.168 |
3 |
|
B |
108 |
32 |
22522 |
◊ |
A |
x,y,z |
1_555 |
101 |
30 |
22132 |
972.0 |
-5.1 |
0.515 |
9 |
10 |
0 |
0.049 |
4 |
|
A |
87 |
31 |
22132 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
93 |
27 |
22522 |
892.8 |
-11.6 |
0.101 |
8 |
2 |
0 |
0.066 |
5 |
|
A |
45 |
17 |
22132 |
◊ |
B |
-y+1,x,z-1/4 |
3_654 |
44 |
11 |
22522 |
448.5 |
-5.4 |
0.213 |
1 |
2 |
0 |
0.000 |
6 |
|
B |
46 |
12 |
22522 |
x |
B |
-y+1,x,z-1/4 |
3_654 |
47 |
13 |
22522 |
441.3 |
-0.9 |
0.671 |
4 |
3 |
0 |
0.000 |
7 |
|
D |
39 |
6 |
3544 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
22132 |
414.1 |
-13.4 |
0.289 |
5 |
0 |
0 |
0.179 |
8 |
|
A |
30 |
6 |
22132 |
x |
A |
-y+1,x,z-1/4 |
3_654 |
39 |
12 |
22132 |
327.5 |
-3.6 |
0.250 |
3 |
0 |
0 |
0.000 |
9 |
|
[5CY]C:0 |
27 |
1 |
750 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
22132 |
324.1 |
-0.4 |
0.296 |
0 |
0 |
0 |
0.005 |
10 |
|
A |
31 |
11 |
22132 |
◊ |
[5CY]D:0 |
-y+1,x,z-1/4 |
3_654 |
20 |
1 |
751 |
238.3 |
1.4 |
0.399 |
0 |
0 |
0 |
0.000 |
11 |
|
[5CY]D:0 |
20 |
1 |
751 |
◊ |
D |
x,y,z |
1_555 |
35 |
4 |
3544 |
213.1 |
1.8 |
0.678 |
0 |
0 |
0 |
0.000 |
12 |
|
[5CY]D:0 |
16 |
1 |
751 |
f |
B |
x,y,z |
1_555 |
22 |
7 |
22522 |
184.8 |
-1.1 |
0.214 |
1 |
0 |
0 |
0.010 |
13 |
|
C |
17 |
4 |
3303 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
22522 |
140.0 |
-5.9 |
0.287 |
0 |
0 |
0 |
0.022 |
14 |
|
[SO4]A:502 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
22132 |
127.2 |
-18.7 |
0.639 |
5 |
0 |
0 |
0.241 |
15 |
|
C |
21 |
6 |
3303 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
15 |
5 |
22522 |
127.1 |
-1.4 |
0.791 |
0 |
0 |
0 |
0.006 |
16 |
|
[5CY]C:0 |
14 |
1 |
750 |
◊ |
C |
x,y,z |
1_555 |
17 |
2 |
3303 |
124.5 |
1.2 |
0.580 |
1 |
0 |
0 |
0.000 |
17 |
|
[5CY]C:0 |
10 |
1 |
750 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
22522 |
119.3 |
0.2 |
0.429 |
0 |
0 |
0 |
0.000 |
18 |
|
[GOL]A:507 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
22132 |
114.2 |
-0.1 |
0.571 |
1 |
0 |
0 |
0.007 |
19 |
|
[SO4]A:504 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
22132 |
111.9 |
-13.6 |
0.930 |
5 |
0 |
0 |
0.181 |
20 |
|
[SO4]A:505 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
22132 |
105.9 |
-15.8 |
0.791 |
1 |
0 |
0 |
0.186 |
21 |
|
[SO4]B:505 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
22522 |
95.7 |
-13.3 |
0.914 |
6 |
0 |
0 |
0.107 |
22 |
|
[SO4]B:503 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
22522 |
90.9 |
-14.3 |
0.647 |
3 |
0 |
0 |
0.105 |
23 |
|
A |
16 |
6 |
22132 |
f |
[IPA]B:510 |
-x+1,-y,z-1/2 |
2_654 |
4 |
1 |
198 |
87.8 |
2.5 |
0.260 |
1 |
0 |
0 |
0.000 |
24 |
|
A |
8 |
2 |
22132 |
◊ |
D |
-x+1,-y,z-1/2 |
2_654 |
11 |
3 |
3544 |
87.7 |
-1.6 |
0.623 |
0 |
0 |
0 |
0.007 |
25 |
|
[GOL]A:506 |
6 |
1 |
222 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
10 |
3 |
22522 |
86.4 |
-0.0 |
0.570 |
0 |
0 |
0 |
0.000 |
26 |
|
[SO4]A:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
22522 |
83.7 |
-9.8 |
0.712 |
2 |
0 |
0 |
0.072 |
27 |
|
[SO4]B:501 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
22522 |
83.0 |
-9.8 |
0.955 |
4 |
0 |
0 |
0.078 |
28 |
|
[SO4]A:501 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
22132 |
81.8 |
-9.4 |
0.795 |
2 |
0 |
0 |
0.048 |
29 |
|
[IPA]B:510 |
4 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
22522 |
78.6 |
2.2 |
0.242 |
0 |
0 |
0 |
0.000 |
30 |
|
[SO4]B:504 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
22522 |
78.6 |
-12.3 |
0.621 |
1 |
0 |
0 |
0.086 |
31 |
|
A |
12 |
6 |
22132 |
◊ |
D |
-y+1,x,z-1/4 |
3_654 |
7 |
1 |
3544 |
77.0 |
-2.0 |
0.477 |
0 |
0 |
0 |
0.000 |
32 |
|
[SO4]B:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
22522 |
76.7 |
-10.9 |
0.784 |
4 |
0 |
0 |
0.085 |
33 |
|
[SO4]B:509 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22522 |
76.3 |
-8.4 |
0.938 |
2 |
0 |
0 |
0.062 |
34 |
|
[SO4]A:503 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
22132 |
74.4 |
-11.2 |
0.649 |
1 |
0 |
0 |
0.134 |
35 |
|
[SO4]B:507 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
22522 |
69.5 |
-9.5 |
0.746 |
1 |
0 |
0 |
0.067 |
36 |
|
[SO4]B:506 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
22522 |
66.3 |
-9.0 |
0.843 |
3 |
0 |
0 |
0.069 |
37 |
|
[5CY]C:0 |
6 |
1 |
750 |
f |
D |
x,y,z |
1_555 |
8 |
2 |
3544 |
64.8 |
-2.2 |
0.350 |
0 |
0 |
0 |
0.100 |
38 |
|
[GOL]A:506 |
3 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
22132 |
62.1 |
0.3 |
0.666 |
2 |
0 |
0 |
0.007 |
39 |
|
[SO4]B:501 |
4 |
1 |
187 |
◊ |
B |
-y+1,x,z-1/4 |
3_654 |
10 |
4 |
22522 |
57.7 |
-7.7 |
0.637 |
0 |
0 |
0 |
0.000 |
40 |
|
[SO4]B:502 |
4 |
1 |
186 |
◊ |
B |
-y+1,x,z-1/4 |
3_654 |
5 |
2 |
22522 |
56.4 |
-6.5 |
0.959 |
3 |
0 |
0 |
0.000 |
41 |
|
[GOL]A:507 |
3 |
1 |
221 |
◊ |
B |
-x+1,-y,z-1/2 |
2_654 |
7 |
3 |
22522 |
53.9 |
-0.0 |
0.525 |
1 |
0 |
0 |
0.002 |
42 |
|
[5CY]D:0 |
5 |
1 |
751 |
f |
[SO4]B:509 |
x,y,z |
1_555 |
4 |
1 |
188 |
51.7 |
-6.8 |
0.491 |
1 |
0 |
0 |
0.049 |
43 |
|
[SO4]B:508 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
22522 |
48.6 |
-4.5 |
0.977 |
1 |
0 |
0 |
0.033 |
44 |
|
[MG]C:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
22132 |
47.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.059 |
45 |
|
[MG]C:101 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
3303 |
34.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.040 |
46 |
|
[5CY]D:0 |
4 |
1 |
751 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22132 |
29.7 |
-0.0 |
0.458 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
4 |
1 |
22132 |
x |
A |
-y,x,z-1/4 |
3_554 |
3 |
1 |
22132 |
29.1 |
0.4 |
0.746 |
0 |
0 |
0 |
0.000 |
48 |
|
[SO4]B:507 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22132 |
19.4 |
-1.6 |
0.988 |
1 |
0 |
0 |
0.010 |
49 |
|
A |
5 |
3 |
22132 |
◊ |
[SO4]B:509 |
-y+1,x,z-1/4 |
3_654 |
1 |
1 |
188 |
15.2 |
-1.9 |
0.752 |
0 |
0 |
0 |
0.000 |
50 |
|
[SO4]A:501 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
3303 |
14.8 |
-2.1 |
0.637 |
0 |
0 |
0 |
0.008 |
51 |
|
B |
3 |
2 |
22522 |
x |
B |
-y+1,x-1,z-1/4 |
3_644 |
2 |
1 |
22522 |
14.5 |
0.3 |
0.538 |
0 |
0 |
0 |
0.000 |
52 |
|
[SO4]A:501 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
3544 |
9.5 |
-1.4 |
0.597 |
0 |
0 |
0 |
0.009 |
53 |
|
[SO4]A:502 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
3303 |
5.5 |
-0.7 |
0.650 |
0 |
0 |
0 |
0.006 |
54 |
|
[SO4]B:502 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22132 |
4.4 |
-0.5 |
0.798 |
0 |
0 |
0 |
0.002 |
|