## |
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 |
|
B |
180 |
51 |
8086 |
◊ |
A |
x,y,z |
1_555 |
203 |
55 |
10643 |
1765.2 |
-20.7 |
0.261 |
25 |
7 |
0 |
0.157 |
2 |
|
A |
75 |
19 |
10643 |
x |
A |
x-1,y,z |
1_455 |
66 |
22 |
10643 |
640.4 |
-7.7 |
0.449 |
7 |
2 |
0 |
0.000 |
3 |
|
B |
63 |
16 |
8086 |
◊ |
A |
x,y-1,z |
1_545 |
55 |
15 |
10643 |
473.7 |
-1.3 |
0.658 |
3 |
2 |
0 |
0.002 |
4 |
|
B |
27 |
9 |
8086 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
36 |
12 |
10643 |
276.1 |
-5.3 |
0.142 |
1 |
0 |
0 |
0.032 |
5 |
|
A |
26 |
6 |
10643 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
33 |
14 |
8086 |
270.9 |
-1.3 |
0.624 |
3 |
0 |
0 |
0.000 |
6 |
|
A |
29 |
7 |
10643 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
29 |
7 |
10643 |
239.3 |
-0.6 |
0.769 |
2 |
0 |
0 |
0.000 |
7 |
|
[PEG]B:1003 |
7 |
1 |
249 |
f |
B |
x,y,z |
1_555 |
25 |
11 |
8086 |
134.0 |
5.0 |
0.519 |
1 |
0 |
0 |
0.000 |
8 |
|
[PEG]A:1001 |
7 |
1 |
263 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
8086 |
121.7 |
2.1 |
0.318 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
12 |
4 |
8086 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
4 |
10643 |
120.0 |
-0.4 |
0.620 |
0 |
0 |
0 |
0.000 |
10 |
|
A |
17 |
7 |
10643 |
f |
[PEG]A:1002 |
x-1,y,z |
1_455 |
7 |
1 |
254 |
112.1 |
2.4 |
0.371 |
3 |
0 |
0 |
0.000 |
11 |
|
[PEG]B:1002 |
7 |
1 |
259 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
8086 |
106.7 |
3.0 |
0.338 |
0 |
0 |
0 |
0.000 |
12 |
|
[PEG]B:1004 |
7 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8086 |
105.1 |
2.9 |
0.290 |
1 |
0 |
0 |
0.000 |
13 |
|
[EDO]A:1003 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
10643 |
103.0 |
1.7 |
0.363 |
1 |
0 |
0 |
0.000 |
14 |
|
[PEG]A:1001 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10643 |
102.2 |
1.8 |
0.203 |
2 |
0 |
0 |
0.000 |
15 |
|
[PEG]A:1002 |
7 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
10643 |
93.0 |
0.9 |
0.205 |
0 |
0 |
0 |
0.000 |
16 |
|
[BME]B:1001 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8086 |
81.0 |
-2.8 |
0.207 |
2 |
0 |
0 |
0.021 |
17 |
|
B |
10 |
7 |
8086 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
12 |
4 |
10643 |
80.2 |
0.2 |
0.674 |
1 |
0 |
0 |
0.000 |
18 |
|
[BME]B:1001 |
4 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
10643 |
73.0 |
0.7 |
0.563 |
0 |
0 |
0 |
0.000 |
19 |
|
[PEG]B:1004 |
6 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
10643 |
69.8 |
2.2 |
0.321 |
0 |
0 |
0 |
0.000 |
20 |
|
[NA]A:460 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
10643 |
68.7 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.069 |
21 |
|
[NA]A:455 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10643 |
67.4 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.059 |
22 |
|
[NA]A:450 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
10643 |
67.3 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.058 |
23 |
|
[NA]B:457 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8086 |
67.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.057 |
24 |
|
[NA]A:451 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10643 |
66.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.069 |
25 |
|
[NA]A:454 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10643 |
66.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.051 |
26 |
|
[NA]B:451 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8086 |
65.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.059 |
27 |
|
[NA]B:454 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
8086 |
63.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.056 |
28 |
|
[NA]B:456 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8086 |
59.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.049 |
29 |
|
[NA]B:453 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8086 |
57.4 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.043 |
30 |
|
[NA]B:455 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
8086 |
57.0 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.046 |
31 |
|
[NA]A:459 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
10643 |
56.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.059 |
32 |
|
[NA]B:450 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
8086 |
56.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.039 |
33 |
|
[NA]A:458 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10643 |
55.6 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.046 |
34 |
|
[NA]B:452 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
10643 |
54.4 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.042 |
35 |
|
A |
6 |
1 |
10643 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
2 |
10643 |
49.6 |
1.4 |
0.915 |
2 |
0 |
0 |
0.000 |
36 |
|
[NA]A:452 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10643 |
49.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.038 |
37 |
|
[NA]A:452 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
8086 |
48.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.029 |
38 |
|
[NA]A:457 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
8086 |
48.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.033 |
39 |
|
[NA]A:456 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10643 |
45.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.040 |
40 |
|
A |
6 |
3 |
10643 |
◊ |
[NA]B:450 |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
125 |
44.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[NA]A:453 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
10643 |
42.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.032 |
42 |
|
[NA]B:452 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
8086 |
41.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.023 |
43 |
|
B |
6 |
2 |
8086 |
◊ |
[NA]A:458 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
125 |
38.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.024 |
44 |
|
[NA]B:455 |
1 |
1 |
125 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
10643 |
38.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.003 |
45 |
|
[NA]A:457 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10643 |
37.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.018 |
46 |
|
A |
6 |
2 |
10643 |
◊ |
[NA]A:453 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
125 |
36.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
B |
6 |
1 |
8086 |
◊ |
[NA]A:453 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
125 |
27.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.017 |
48 |
|
B |
8 |
5 |
8086 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
8086 |
26.5 |
0.3 |
0.693 |
0 |
0 |
0 |
0.000 |
49 |
|
[NA]A:456 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
1 |
10643 |
26.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[NA]A:456 |
1 |
1 |
125 |
f |
[PEG]A:1002 |
x-1,y,z |
1_455 |
4 |
1 |
254 |
25.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.010 |
51 |
|
[NA]B:456 |
1 |
1 |
125 |
f |
[PEG]B:1004 |
x,y,z |
1_555 |
3 |
1 |
251 |
21.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.009 |
52 |
|
[NA]B:451 |
1 |
1 |
125 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
3 |
10643 |
21.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.001 |
53 |
|
B |
1 |
1 |
8086 |
◊ |
[NA]A:459 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
125 |
18.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[NA]A:457 |
1 |
1 |
125 |
f |
[PEG]B:1002 |
x,y,z |
1_555 |
1 |
1 |
259 |
13.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.005 |
55 |
|
[NA]A:456 |
1 |
1 |
125 |
f |
[NA]A:454 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
56 |
|
A |
1 |
1 |
10643 |
◊ |
[NA]A:450 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
125 |
7.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[NA]A:454 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
10643 |
4.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[NA]B:456 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10643 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
59 |
|
[NA]A:454 |
1 |
1 |
125 |
f |
[PEG]A:1002 |
x-1,y,z |
1_455 |
1 |
1 |
254 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
|
[PEG]B:1004 |
1 |
1 |
251 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
10643 |
0.5 |
0.0 |
0.409 |
0 |
0 |
0 |
0.000 |
|