## |
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 |
92 |
28 |
13085 |
◊ |
A |
x,y,z |
1_555 |
94 |
31 |
13293 |
869.5 |
-9.8 |
0.154 |
10 |
2 |
0 |
0.091 |
2 |
2 |
|
B |
77 |
26 |
13085 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
77 |
15 |
13293 |
695.2 |
-6.1 |
0.287 |
1 |
3 |
0 |
0.005 |
3 |
3 |
|
A |
49 |
16 |
13293 |
x |
A |
x,y,z-1 |
1_554 |
50 |
16 |
13293 |
397.3 |
-1.6 |
0.510 |
1 |
0 |
0 |
0.000 |
4 |
|
B |
45 |
18 |
13085 |
x |
B |
x,y,z-1 |
1_554 |
34 |
12 |
13085 |
369.0 |
-1.7 |
0.488 |
0 |
0 |
0 |
0.000 |
Average: |
383.2 |
-1.7 |
0.499 |
1 |
0 |
0 |
0.000 |
4 |
5 |
|
B |
29 |
8 |
13085 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
37 |
12 |
13293 |
304.7 |
0.6 |
0.643 |
0 |
2 |
0 |
0.000 |
5 |
6 |
|
[HJ8]A:307 |
14 |
1 |
363 |
f |
A |
x,y,z |
1_555 |
43 |
17 |
13293 |
248.2 |
5.9 |
0.472 |
7 |
0 |
0 |
0.000 |
7 |
|
[HJ8]B:305 |
14 |
1 |
363 |
f |
B |
x,y,z |
1_555 |
43 |
17 |
13085 |
247.6 |
6.0 |
0.496 |
7 |
0 |
0 |
0.000 |
Average: |
247.9 |
6.0 |
0.484 |
7 |
0 |
0 |
0.000 |
6 |
8 |
|
B |
29 |
8 |
13085 |
◊ |
B |
-x-1,-y,z |
2_455 |
29 |
8 |
13085 |
210.8 |
-2.3 |
0.383 |
0 |
0 |
0 |
0.000 |
7 |
9 |
|
[PGE]A:309 |
10 |
1 |
335 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
13293 |
158.6 |
5.4 |
0.254 |
2 |
0 |
0 |
0.000 |
8 |
10 |
|
[CIT]A:313 |
10 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
13293 |
134.3 |
0.9 |
0.437 |
1 |
0 |
0 |
0.000 |
9 |
11 |
|
B |
16 |
5 |
13085 |
◊ |
[CIT]A:313 |
x-1/2,-y+1/2,-z-1 |
4_454 |
11 |
1 |
307 |
133.2 |
1.6 |
0.472 |
2 |
0 |
0 |
0.000 |
10 |
12 |
|
A |
14 |
5 |
13293 |
x |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
12 |
2 |
13293 |
127.4 |
-1.2 |
0.393 |
1 |
2 |
0 |
0.000 |
11 |
13 |
|
[PEG]B:311 |
7 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
13085 |
120.1 |
3.1 |
0.266 |
1 |
0 |
0 |
0.000 |
12 |
14 |
|
[SO4]A:301 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
13293 |
114.3 |
-16.1 |
0.741 |
4 |
0 |
0 |
0.113 |
13 |
15 |
|
[PGE]B:309 |
8 |
1 |
323 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
13085 |
109.4 |
4.2 |
0.395 |
0 |
0 |
0 |
0.000 |
14 |
16 |
|
[SO4]B:301 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
13085 |
104.9 |
-14.5 |
0.864 |
4 |
0 |
0 |
0.102 |
15 |
17 |
|
[GOL]A:308 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
13293 |
99.3 |
0.6 |
0.684 |
1 |
0 |
0 |
0.000 |
16 |
18 |
|
[PGE]B:309 |
8 |
1 |
323 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
10 |
4 |
13293 |
97.3 |
2.2 |
0.176 |
0 |
0 |
0 |
0.000 |
17 |
19 |
|
[SO4]A:302 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
13293 |
89.0 |
-12.1 |
0.830 |
2 |
0 |
0 |
0.082 |
18 |
20 |
|
[SO4]B:304 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
13085 |
88.6 |
-12.5 |
0.850 |
1 |
0 |
0 |
0.081 |
19 |
21 |
|
[SO4]A:305 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13293 |
86.3 |
-12.1 |
0.785 |
1 |
0 |
0 |
0.079 |
20 |
22 |
|
[SO4]A:306 |
5 |
1 |
185 |
f |
B |
-x,-y,z |
2_555 |
12 |
6 |
13085 |
82.8 |
-11.1 |
0.748 |
0 |
0 |
0 |
0.070 |
21 |
23 |
|
[GOL]B:306 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
13085 |
80.8 |
0.3 |
0.586 |
0 |
0 |
0 |
0.000 |
22 |
24 |
|
[GOL]B:307 |
5 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
13085 |
80.4 |
0.5 |
0.608 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[GOL]B:308 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
13085 |
76.5 |
-0.7 |
0.447 |
0 |
0 |
0 |
0.004 |
24 |
26 |
|
[SO4]A:304 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
13293 |
70.3 |
-8.7 |
0.893 |
1 |
0 |
0 |
0.058 |
25 |
27 |
|
[CL]A:311 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
13293 |
69.4 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.064 |
26 |
28 |
|
[LI]B:310 |
1 |
1 |
130 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13085 |
67.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.074 |
29 |
|
[LI]A:315 |
1 |
1 |
130 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
13293 |
66.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
67.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.074 |
27 |
30 |
|
[LI]A:314 |
1 |
1 |
130 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
13293 |
63.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.026 |
28 |
31 |
|
[SO4]A:303 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13293 |
59.3 |
-6.8 |
0.901 |
1 |
0 |
0 |
0.046 |
29 |
32 |
|
B |
7 |
3 |
13085 |
f |
[SO4]B:302 |
x,y,z-1 |
1_554 |
4 |
1 |
184 |
57.1 |
-7.0 |
0.777 |
1 |
0 |
0 |
0.047 |
30 |
33 |
|
[SO4]B:303 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
13085 |
56.9 |
-5.4 |
0.964 |
2 |
0 |
0 |
0.040 |
31 |
34 |
|
[CL]A:312 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
13293 |
53.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.043 |
32 |
35 |
|
[SO4]A:306 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
13293 |
46.1 |
-5.0 |
0.957 |
1 |
0 |
0 |
0.000 |
33 |
36 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
13293 |
43.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.036 |
34 |
37 |
|
B |
3 |
1 |
13085 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
2 |
1 |
13293 |
39.3 |
0.6 |
0.836 |
0 |
2 |
0 |
0.000 |
35 |
38 |
|
A |
8 |
5 |
13293 |
◊ |
[LI]A:314 |
x,y,z-1 |
1_554 |
1 |
1 |
130 |
39.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
39 |
|
[PGE]B:309 |
3 |
1 |
323 |
f |
A |
-x-1/2,y-1/2,-z |
3_445 |
2 |
1 |
13293 |
34.9 |
0.6 |
0.267 |
0 |
0 |
0 |
0.000 |
37 |
40 |
|
B |
2 |
1 |
13085 |
◊ |
[SO4]A:303 |
-x-1/2,y-1/2,-z-1 |
3_444 |
4 |
1 |
186 |
33.4 |
-3.0 |
0.964 |
1 |
0 |
0 |
0.002 |
38 |
41 |
|
[PGE]B:309 |
4 |
1 |
323 |
◊ |
[GOL]B:307 |
x,y,z |
1_555 |
4 |
1 |
222 |
32.3 |
1.1 |
0.260 |
0 |
0 |
0 |
0.000 |
39 |
42 |
|
[GOL]B:307 |
2 |
1 |
222 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
4 |
1 |
13293 |
31.9 |
0.3 |
0.685 |
0 |
0 |
0 |
0.000 |
40 |
43 |
|
[SO4]A:304 |
4 |
1 |
185 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
3 |
2 |
13293 |
29.9 |
-3.7 |
0.472 |
0 |
0 |
0 |
0.000 |
41 |
44 |
|
[SO4]B:302 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
13085 |
26.5 |
-3.5 |
0.635 |
0 |
0 |
0 |
0.000 |
42 |
45 |
|
[PEG]B:311 |
2 |
1 |
262 |
f |
[SO4]B:301 |
x,y,z |
1_555 |
1 |
1 |
186 |
22.0 |
-2.7 |
0.313 |
0 |
0 |
0 |
0.017 |
43 |
46 |
|
[PGE]A:309 |
4 |
1 |
335 |
f |
[SO4]A:301 |
x,y,z |
1_555 |
1 |
1 |
185 |
21.2 |
-2.1 |
0.253 |
0 |
0 |
0 |
0.013 |
44 |
47 |
|
[LI]A:315 |
1 |
1 |
130 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
13085 |
11.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
48 |
|
[LI]B:310 |
1 |
1 |
130 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
13293 |
9.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
10.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.005 |
45 |
49 |
|
B |
2 |
1 |
13085 |
f |
[GOL]A:308 |
-x-1/2,y-1/2,-z-1 |
3_444 |
2 |
1 |
219 |
11.5 |
-0.2 |
0.625 |
0 |
0 |
0 |
0.001 |
46 |
50 |
|
B |
3 |
3 |
13085 |
◊ |
[SO4]A:305 |
-x-1/2,y-1/2,-z-1 |
3_444 |
3 |
1 |
184 |
11.4 |
-1.6 |
0.638 |
0 |
0 |
0 |
0.001 |
47 |
51 |
|
[PEG]B:311 |
2 |
1 |
262 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
13293 |
10.8 |
0.7 |
0.438 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
B |
1 |
1 |
13085 |
◊ |
A |
-x,-y,z |
2_555 |
2 |
1 |
13293 |
10.8 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[GOL]B:306 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13293 |
9.3 |
0.4 |
0.652 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
B |
2 |
1 |
13085 |
◊ |
[GOL]B:308 |
x,y,z-1 |
1_554 |
1 |
1 |
219 |
5.4 |
0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[PEG]B:311 |
1 |
1 |
262 |
◊ |
[CIT]A:313 |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
307 |
3.3 |
-0.1 |
0.218 |
0 |
0 |
0 |
0.000 |
52 |
56 |
|
[GOL]B:307 |
1 |
1 |
222 |
f |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
13293 |
1.6 |
-0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
|