| ## |
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 |
208 |
56 |
14086 |
◊ |
A |
x,y,z |
1_555 |
213 |
56 |
14456 |
1926.9 |
-30.9 |
0.001 |
15 |
6 |
0 |
0.552 |
| 2 |
2 |
|
[XPE]B:406 |
31 |
1 |
838 |
f |
B |
x,y,z |
1_555 |
88 |
32 |
14086 |
596.6 |
-3.3 |
0.282 |
1 |
0 |
0 |
0.054 |
| 3 |
3 |
|
B |
67 |
19 |
14086 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
70 |
18 |
14456 |
587.7 |
1.1 |
0.712 |
10 |
4 |
0 |
0.000 |
| 4 |
4 |
|
B |
55 |
13 |
14086 |
x |
B |
x-1/2,-y-3/2,-z |
4_435 |
53 |
14 |
14086 |
513.3 |
-0.4 |
0.534 |
4 |
4 |
0 |
0.000 |
| 5 |
5 |
|
A |
48 |
14 |
14456 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
49 |
14 |
14456 |
466.3 |
4.6 |
0.890 |
10 |
3 |
0 |
0.000 |
| 6 |
6 |
|
B |
45 |
12 |
14086 |
x |
B |
x-1,y,z |
1_455 |
53 |
14 |
14086 |
413.6 |
0.4 |
0.687 |
7 |
7 |
0 |
0.000 |
| 7 |
7 |
|
A |
44 |
14 |
14456 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
35 |
14 |
14086 |
338.6 |
0.5 |
0.568 |
2 |
0 |
0 |
0.000 |
| 8 |
8 |
|
[EPE]B:401 |
14 |
1 |
406 |
f |
B |
x,y,z |
1_555 |
30 |
9 |
14086 |
183.3 |
4.9 |
0.083 |
4 |
0 |
0 |
0.000 |
| 9 |
9 |
|
[PEG]B:409 |
7 |
1 |
264 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
14086 |
132.9 |
3.8 |
0.414 |
2 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[PEG]B:408 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
14086 |
124.0 |
4.4 |
0.517 |
0 |
0 |
0 |
0.000 |
| 11 |
11 |
|
[EDO]A:407 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
14456 |
119.0 |
2.3 |
0.405 |
1 |
0 |
0 |
0.000 |
| 12 |
12 |
|
[EDO]B:413 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
14086 |
112.4 |
3.6 |
0.491 |
2 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[EDO]A:406 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
14456 |
96.9 |
2.9 |
0.420 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[PG4]B:407 |
11 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
14086 |
95.3 |
1.8 |
0.177 |
1 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[EDO]A:405 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
14456 |
92.2 |
2.1 |
0.405 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
B |
13 |
5 |
14086 |
◊ |
[PG4]B:407 |
x-1,y,z |
1_455 |
5 |
1 |
396 |
87.2 |
1.7 |
0.369 |
1 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[EDO]B:410 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
14086 |
81.1 |
3.1 |
0.537 |
1 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[EDO]B:411 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14086 |
80.1 |
1.8 |
0.201 |
1 |
0 |
0 |
0.000 |
| 19 |
19 |
|
[EDO]A:408 |
4 |
1 |
184 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
16 |
2 |
14456 |
78.1 |
2.3 |
0.280 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[EDO]A:404 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
14456 |
77.2 |
2.7 |
0.301 |
2 |
0 |
0 |
0.000 |
| 21 |
21 |
|
[PEG]A:403 |
5 |
1 |
261 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
4 |
14456 |
76.8 |
1.6 |
0.303 |
0 |
0 |
0 |
0.000 |
| 22 |
22 |
|
[PEG]A:403 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
14456 |
76.4 |
2.2 |
0.262 |
0 |
0 |
0 |
0.000 |
| 23 |
23 |
|
[EDO]B:411 |
4 |
1 |
184 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
12 |
5 |
14456 |
71.0 |
1.7 |
0.701 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
B |
9 |
4 |
14086 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
9 |
4 |
14456 |
66.2 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
| 25 |
25 |
|
[EDO]B:412 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
14086 |
59.3 |
1.2 |
0.672 |
1 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[PG4]B:407 |
6 |
1 |
396 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
14456 |
58.5 |
1.8 |
0.322 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[EDO]A:408 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14456 |
55.1 |
1.4 |
0.749 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
[EDO]B:412 |
4 |
1 |
185 |
f |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
6 |
3 |
14456 |
45.2 |
1.2 |
0.899 |
1 |
0 |
0 |
0.000 |
| 29 |
29 |
|
[CA]B:405 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
14086 |
39.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.129 |
| 30 |
30 |
|
[EDO]B:412 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14456 |
39.4 |
1.1 |
0.574 |
0 |
0 |
0 |
0.000 |
| 31 |
31 |
|
[CA]B:404 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14086 |
37.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.101 |
| 32 |
32 |
|
[EDO]A:404 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
14086 |
37.2 |
1.4 |
0.892 |
0 |
0 |
0 |
0.000 |
| 33 |
33 |
|
[PEG]B:408 |
5 |
1 |
257 |
f |
[CA]B:403 |
x,y,z |
1_555 |
1 |
1 |
85 |
37.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.105 |
| 34 |
34 |
|
[EDO]B:410 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
14456 |
34.8 |
1.3 |
0.904 |
0 |
0 |
0 |
0.000 |
| 35 |
35 |
|
[PEG]B:409 |
2 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
14456 |
34.5 |
-0.3 |
0.264 |
0 |
0 |
0 |
0.005 |
| 36 |
36 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
14456 |
32.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.106 |
| 37 |
37 |
|
[PG4]B:407 |
10 |
1 |
396 |
f |
[CA]B:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
32.4 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.107 |
| 38 |
38 |
|
[CA]A:402 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14456 |
30.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.127 |
39 |
|
[CA]B:402 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14086 |
23.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.127 |
| Average: |
26.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.127 |
| 39 |
40 |
|
[CA]A:402 |
1 |
1 |
85 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
7 |
3 |
14456 |
30.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
A |
1 |
1 |
14456 |
◊ |
[PG4]B:407 |
x-1,y,z |
1_455 |
3 |
1 |
396 |
30.3 |
0.4 |
0.087 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[XPE]B:406 |
5 |
1 |
838 |
f |
[CA]B:404 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.055 |
| 42 |
43 |
|
A |
5 |
2 |
14456 |
◊ |
[CA]A:401 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
85 |
26.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 43 |
44 |
|
A |
3 |
1 |
14456 |
x |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
2 |
14456 |
24.0 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[PEG]A:403 |
3 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14086 |
16.9 |
0.6 |
0.334 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
[XPE]B:406 |
3 |
1 |
838 |
f |
[CA]B:405 |
x,y,z |
1_555 |
1 |
1 |
85 |
13.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 46 |
47 |
|
[EDO]A:408 |
1 |
1 |
184 |
◊ |
[PG4]B:407 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
396 |
12.9 |
0.6 |
0.620 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[CA]B:405 |
1 |
1 |
85 |
f |
[CA]B:404 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.055 |
| 48 |
49 |
|
[EDO]A:406 |
3 |
1 |
185 |
f |
[CA]A:402 |
x,y,z |
1_555 |
1 |
1 |
85 |
12.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
| 49 |
50 |
|
B |
2 |
2 |
14086 |
◊ |
[CA]B:402 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
11.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 50 |
51 |
|
B |
3 |
1 |
14086 |
◊ |
[CA]A:401 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
85 |
11.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 51 |
52 |
|
[CA]B:403 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
14086 |
10.8 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.024 |
| 52 |
53 |
|
[EDO]A:408 |
1 |
1 |
184 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
2 |
14086 |
5.6 |
0.0 |
0.719 |
0 |
0 |
0 |
0.000 |
| 53 |
54 |
|
[PEG]A:403 |
1 |
1 |
261 |
f |
[PG4]B:407 |
x-1,y,z |
1_455 |
1 |
1 |
396 |
5.1 |
0.2 |
0.296 |
0 |
0 |
0 |
0.000 |
| 54 |
55 |
|
[EDO]B:411 |
1 |
1 |
184 |
f |
[EDO]A:405 |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
183 |
3.8 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 55 |
56 |
|
[CA]B:402 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14456 |
3.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
57 |
|
[CA]A:402 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14086 |
0.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
| 56 |
58 |
|
[EDO]A:406 |
1 |
1 |
185 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
1 |
1 |
14456 |
1.6 |
0.0 |
0.864 |
0 |
0 |
0 |
0.000 |
|