| ## |
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 |
|
C |
103 |
29 |
16035 |
◊ |
A |
x,y,z |
1_555 |
78 |
25 |
16186 |
854.4 |
-4.8 |
0.630 |
10 |
1 |
0 |
0.000 |
2 |
|
D |
97 |
26 |
15979 |
◊ |
B |
x,y,z-1 |
1_554 |
80 |
24 |
16328 |
836.0 |
-3.2 |
0.652 |
8 |
2 |
0 |
0.000 |
| Average: |
845.2 |
-4.0 |
0.641 |
9 |
2 |
0 |
0.000 |
| 2 |
3 |
|
A |
60 |
17 |
16186 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
62 |
20 |
16035 |
561.7 |
-2.3 |
0.659 |
7 |
4 |
0 |
0.000 |
4 |
|
D |
54 |
18 |
15979 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
55 |
17 |
16328 |
484.8 |
-1.4 |
0.688 |
3 |
2 |
0 |
0.000 |
| Average: |
523.3 |
-1.9 |
0.674 |
5 |
3 |
0 |
0.000 |
| 3 |
5 |
|
D |
43 |
10 |
15979 |
◊ |
C |
x,y,z |
1_555 |
48 |
11 |
16035 |
425.3 |
-3.2 |
0.535 |
4 |
0 |
0 |
0.000 |
| 4 |
6 |
|
A |
43 |
13 |
16186 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
46 |
15 |
15979 |
401.1 |
-1.8 |
0.628 |
4 |
9 |
0 |
0.000 |
7 |
|
C |
45 |
16 |
16035 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
39 |
12 |
16328 |
363.1 |
-1.2 |
0.703 |
3 |
7 |
0 |
0.000 |
| Average: |
382.1 |
-1.5 |
0.666 |
4 |
8 |
0 |
0.000 |
| 5 |
8 |
|
A |
40 |
14 |
16186 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
38 |
11 |
16328 |
358.2 |
-0.7 |
0.685 |
7 |
1 |
0 |
0.000 |
9 |
|
B |
39 |
16 |
16328 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
38 |
11 |
16186 |
355.3 |
-1.0 |
0.663 |
7 |
0 |
0 |
0.000 |
| Average: |
356.7 |
-0.8 |
0.674 |
7 |
1 |
0 |
0.000 |
| 6 |
10 |
|
[BGE]D:503 |
25 |
1 |
560 |
f |
D |
x,y,z |
1_555 |
46 |
17 |
15979 |
354.7 |
-4.7 |
0.448 |
1 |
0 |
0 |
0.095 |
11 |
|
[BGE]C:503 |
25 |
1 |
562 |
f |
C |
x,y,z |
1_555 |
43 |
18 |
16035 |
340.4 |
-4.5 |
0.447 |
1 |
0 |
0 |
0.095 |
12 |
|
[BGE]B:502 |
25 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
16328 |
339.3 |
-5.6 |
0.367 |
1 |
0 |
0 |
0.095 |
13 |
|
[BGE]A:504 |
25 |
1 |
557 |
f |
A |
x,y,z |
1_555 |
45 |
17 |
16186 |
338.3 |
-4.8 |
0.352 |
1 |
0 |
0 |
0.095 |
| Average: |
343.1 |
-4.9 |
0.403 |
1 |
0 |
0 |
0.095 |
| 7 |
14 |
|
[C15]A:506 |
20 |
1 |
634 |
◊ |
A |
x,y,z |
1_555 |
37 |
17 |
16186 |
298.0 |
4.1 |
0.478 |
4 |
0 |
0 |
0.000 |
15 |
|
[C15]B:504 |
19 |
1 |
620 |
◊ |
B |
x,y,z |
1_555 |
37 |
16 |
16328 |
288.2 |
5.0 |
0.466 |
3 |
0 |
0 |
0.000 |
| Average: |
293.1 |
4.6 |
0.472 |
4 |
0 |
0 |
0.000 |
| 8 |
16 |
|
C |
31 |
10 |
16035 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
30 |
10 |
16328 |
294.5 |
-4.8 |
0.223 |
3 |
0 |
0 |
0.000 |
| 9 |
17 |
|
D |
26 |
9 |
15979 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
28 |
9 |
16035 |
249.1 |
-2.1 |
0.409 |
3 |
0 |
0 |
0.000 |
| 10 |
18 |
|
D |
25 |
6 |
15979 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
23 |
9 |
16186 |
205.4 |
-2.5 |
0.398 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
D |
26 |
8 |
15979 |
f |
[C15]B:504 |
x,y,z-1 |
1_554 |
14 |
1 |
620 |
202.6 |
-1.4 |
0.118 |
1 |
0 |
0 |
0.010 |
20 |
|
[C15]A:506 |
18 |
1 |
634 |
f |
C |
x,y,z |
1_555 |
28 |
8 |
16035 |
197.0 |
-1.0 |
0.172 |
1 |
0 |
0 |
0.010 |
| Average: |
199.8 |
-1.2 |
0.145 |
1 |
0 |
0 |
0.010 |
| 12 |
21 |
|
[PEG]C:502 |
7 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
23 |
11 |
16035 |
163.0 |
1.8 |
0.251 |
1 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[PEG]D:502 |
7 |
1 |
257 |
◊ |
D |
x,y,z |
1_555 |
22 |
11 |
15979 |
159.9 |
1.9 |
0.246 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
C |
18 |
6 |
16035 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
22 |
6 |
15979 |
151.1 |
-2.1 |
0.426 |
1 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[BME]B:501 |
4 |
1 |
205 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
16328 |
125.3 |
-1.1 |
0.386 |
2 |
0 |
0 |
0.032 |
| 16 |
25 |
|
[BME]A:502 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
16186 |
120.5 |
-1.9 |
0.319 |
1 |
0 |
0 |
0.014 |
| 17 |
26 |
|
[BME]A:501 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
16186 |
119.7 |
-1.3 |
0.362 |
1 |
0 |
0 |
0.011 |
| 18 |
27 |
|
[EDO]A:505 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
16186 |
102.6 |
2.6 |
0.438 |
1 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[EDO]B:503 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
6 |
16328 |
99.9 |
2.2 |
0.417 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[GOL]D:506 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
15979 |
91.3 |
0.1 |
0.614 |
4 |
0 |
0 |
0.009 |
| 21 |
30 |
|
[GOL]C:505 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
16035 |
89.8 |
0.0 |
0.607 |
5 |
0 |
0 |
0.012 |
| 22 |
31 |
|
[EDO]D:504 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
15979 |
76.9 |
2.3 |
0.891 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[GOL]D:507 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
16035 |
74.6 |
0.5 |
0.698 |
2 |
0 |
0 |
0.002 |
| 24 |
33 |
|
[EDO]C:504 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
16035 |
68.2 |
2.2 |
0.324 |
3 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[CL]D:501 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
15979 |
66.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.057 |
35 |
|
[CL]C:501 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
16035 |
66.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
66.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.057 |
| 26 |
36 |
|
[EDO]D:505 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
15979 |
65.9 |
2.0 |
0.896 |
3 |
0 |
0 |
0.000 |
| 27 |
37 |
|
A |
11 |
4 |
16186 |
◊ |
[EDO]D:505 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
183 |
64.0 |
1.3 |
0.724 |
0 |
0 |
0 |
0.000 |
| 28 |
38 |
|
[EDO]C:504 |
4 |
1 |
182 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
4 |
16328 |
62.7 |
1.1 |
0.721 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[CL]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
16186 |
61.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.056 |
| 30 |
40 |
|
[GOL]D:507 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
15979 |
58.7 |
0.5 |
0.721 |
1 |
0 |
0 |
0.000 |
| 31 |
41 |
|
A |
9 |
4 |
16186 |
◊ |
[GOL]C:505 |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
1 |
220 |
54.7 |
-0.5 |
0.458 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[PEG]D:502 |
4 |
1 |
257 |
◊ |
[C15]B:504 |
x,y,z-1 |
1_554 |
7 |
1 |
620 |
43.8 |
1.9 |
0.205 |
0 |
0 |
0 |
0.000 |
| 33 |
43 |
|
[GOL]D:506 |
2 |
1 |
219 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
4 |
16328 |
43.2 |
0.3 |
0.695 |
0 |
0 |
0 |
0.000 |
| 34 |
44 |
|
[PEG]C:502 |
6 |
1 |
262 |
◊ |
[C15]A:506 |
x,y,z |
1_555 |
7 |
1 |
634 |
41.8 |
1.6 |
0.137 |
0 |
0 |
0 |
0.000 |
| 35 |
45 |
|
[EDO]C:504 |
4 |
1 |
182 |
◊ |
[EDO]B:503 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
184 |
30.4 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
| 36 |
46 |
|
[CL]D:501 |
1 |
1 |
125 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
16328 |
23.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
2 |
1 |
16186 |
◊ |
[CL]C:501 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
125 |
22.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
23.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
48 |
|
[EDO]A:505 |
2 |
1 |
185 |
◊ |
[EDO]D:505 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
183 |
19.8 |
0.9 |
1.000 |
0 |
0 |
0 |
0.000 |
| 38 |
49 |
|
C |
2 |
1 |
16035 |
◊ |
[EDO]B:503 |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
184 |
15.1 |
0.5 |
0.700 |
0 |
0 |
0 |
0.000 |
| 39 |
50 |
|
[EDO]A:505 |
2 |
1 |
185 |
f |
[BME]A:501 |
x,y,z |
1_555 |
1 |
1 |
206 |
9.1 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 40 |
51 |
|
[PEG]C:502 |
1 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
16186 |
6.2 |
-0.0 |
0.287 |
0 |
0 |
0 |
0.000 |
| 41 |
52 |
|
[EDO]D:504 |
2 |
1 |
185 |
f |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
16328 |
5.7 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
| 42 |
53 |
|
[GOL]D:507 |
1 |
1 |
220 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
15979 |
5.3 |
-0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
| 43 |
54 |
|
A |
1 |
1 |
16186 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
15979 |
4.1 |
-0.1 |
0.346 |
0 |
0 |
0 |
0.000 |
| 44 |
55 |
|
[EDO]B:503 |
2 |
1 |
184 |
f |
[BME]B:501 |
x,y,z |
1_555 |
1 |
1 |
205 |
3.7 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
| 45 |
56 |
|
[PEG]D:502 |
1 |
1 |
257 |
f |
B |
x,y,z-1 |
1_554 |
1 |
1 |
16328 |
3.6 |
-0.1 |
0.321 |
0 |
0 |
0 |
0.002 |
| 46 |
57 |
|
[BME]A:501 |
1 |
1 |
206 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
16035 |
3.3 |
-0.0 |
0.303 |
0 |
0 |
0 |
0.000 |
| 47 |
58 |
|
C |
1 |
1 |
16035 |
x |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
1 |
1 |
16035 |
2.4 |
-0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
| 48 |
59 |
|
[EDO]A:505 |
1 |
1 |
185 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
15979 |
0.8 |
0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
|