| ## |
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 |
258 |
63 |
10600 |
◊ |
A |
x,y,z |
1_555 |
255 |
60 |
10680 |
2672.5 |
-35.0 |
0.109 |
22 |
27 |
0 |
0.812 |
2 |
|
D |
251 |
58 |
10560 |
◊ |
C |
x,y,z |
1_555 |
255 |
64 |
10409 |
2582.9 |
-38.9 |
0.080 |
24 |
26 |
0 |
0.812 |
| Average: |
2627.7 |
-37.0 |
0.094 |
23 |
27 |
0 |
0.812 |
| 2 |
3 |
|
B |
74 |
23 |
10600 |
◊ |
C |
x,y-1,z |
1_545 |
75 |
24 |
10409 |
690.3 |
2.1 |
0.889 |
8 |
7 |
0 |
0.070 |
| 3 |
4 |
|
D |
74 |
23 |
10560 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
10680 |
647.6 |
6.7 |
0.975 |
15 |
8 |
0 |
0.025 |
| 4 |
5 |
|
A |
57 |
14 |
10680 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
56 |
15 |
10409 |
533.1 |
-3.6 |
0.595 |
9 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
44 |
14 |
10600 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
40 |
14 |
10560 |
379.2 |
1.0 |
0.833 |
6 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
32 |
11 |
10600 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
32 |
11 |
10560 |
290.8 |
1.5 |
0.847 |
4 |
0 |
0 |
0.000 |
| 7 |
8 |
|
A |
31 |
9 |
10680 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
31 |
9 |
10560 |
278.2 |
-4.3 |
0.348 |
2 |
0 |
0 |
0.000 |
| 8 |
9 |
|
C |
31 |
9 |
10409 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
31 |
9 |
10600 |
271.7 |
-4.3 |
0.351 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
14 |
7 |
10600 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
11 |
4 |
10680 |
105.1 |
-0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[SAL]A:201 |
10 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
10600 |
105.0 |
0.5 |
0.240 |
2 |
0 |
0 |
0.011 |
| 11 |
12 |
|
[SAL]A:201 |
10 |
1 |
277 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
10680 |
104.6 |
2.5 |
0.422 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[EDO]B:403 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
10600 |
95.2 |
2.3 |
0.279 |
2 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[EDO]D:201 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
10409 |
91.9 |
2.0 |
0.398 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[EDO]B:401 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
10680 |
90.4 |
1.2 |
0.200 |
1 |
0 |
0 |
0.000 |
| 15 |
16 |
|
[EDO]C:401 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
10560 |
90.1 |
1.4 |
0.219 |
1 |
0 |
0 |
0.000 |
| 16 |
17 |
|
[EDO]A:401 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
10600 |
83.3 |
1.5 |
0.248 |
2 |
0 |
0 |
0.000 |
| 17 |
18 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
10560 |
69.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.230 |
| 18 |
19 |
|
[EDO]B:401 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
10600 |
66.5 |
1.6 |
0.758 |
1 |
0 |
0 |
0.000 |
| 19 |
20 |
|
[EDO]A:403 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
10680 |
61.6 |
1.7 |
0.293 |
0 |
0 |
0 |
0.000 |
| 20 |
21 |
|
[EDO]C:401 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
10409 |
57.1 |
1.1 |
0.738 |
1 |
0 |
0 |
0.000 |
| 21 |
22 |
|
[EDO]D:201 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
10560 |
51.9 |
0.8 |
0.640 |
1 |
0 |
0 |
0.000 |
| 22 |
23 |
|
[EDO]A:403 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
10600 |
49.2 |
1.0 |
0.256 |
1 |
0 |
0 |
0.000 |
| 23 |
24 |
|
[EDO]A:401 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
10680 |
48.9 |
1.5 |
0.283 |
0 |
0 |
0 |
0.000 |
| 24 |
25 |
|
[NA]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
10409 |
48.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.373 |
26 |
|
[NA]A:301 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10680 |
48.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.373 |
27 |
|
[NA]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
10560 |
48.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.373 |
28 |
|
[NA]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
10600 |
47.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.373 |
| Average: |
48.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.373 |
| 25 |
29 |
|
D |
7 |
2 |
10560 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
2 |
10680 |
46.6 |
0.4 |
0.752 |
1 |
1 |
0 |
0.000 |
| 26 |
30 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
10600 |
38.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.118 |
| 27 |
31 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
10560 |
37.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.179 |
32 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
10680 |
37.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.179 |
33 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
C |
x,y-1,z |
1_545 |
11 |
4 |
10409 |
35.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.179 |
| Average: |
36.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.179 |
| 28 |
34 |
|
[EDO]A:403 |
3 |
1 |
187 |
f |
[SAL]A:201 |
x,y,z |
1_555 |
5 |
1 |
277 |
34.5 |
0.4 |
0.299 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[NA]D:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
10680 |
33.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.132 |
36 |
|
[NA]B:301 |
1 |
1 |
125 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
10409 |
32.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.132 |
37 |
|
[NA]A:301 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
10560 |
31.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.132 |
| Average: |
32.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.132 |
| 30 |
38 |
|
[EDO]A:403 |
4 |
1 |
187 |
f |
[EDO]A:401 |
x,y,z |
1_555 |
3 |
1 |
186 |
32.3 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
| 31 |
39 |
|
A |
3 |
2 |
10680 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
3 |
10409 |
32.2 |
0.7 |
0.551 |
0 |
0 |
0 |
0.000 |
40 |
|
B |
3 |
2 |
10600 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
10560 |
17.3 |
0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
| Average: |
24.8 |
0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
| 32 |
41 |
|
B |
5 |
2 |
10600 |
◊ |
[NA]C:301 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
29.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.074 |
| 33 |
42 |
|
D |
3 |
1 |
10560 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
10409 |
26.8 |
0.5 |
0.795 |
0 |
0 |
0 |
0.000 |
| 34 |
43 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
[NA]C:301 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
22.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.128 |
| 35 |
44 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
[NA]B:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.128 |
| 36 |
45 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
[NA]A:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.089 |
| 37 |
46 |
|
[CL]A:303 |
1 |
1 |
125 |
◊ |
[NA]D:301 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.089 |
| 38 |
47 |
|
B |
3 |
2 |
10600 |
◊ |
C |
x-1,y-1,z |
1_445 |
2 |
1 |
10409 |
19.6 |
-0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
| 39 |
48 |
|
D |
4 |
3 |
10560 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
3 |
10680 |
17.5 |
0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
| 40 |
49 |
|
D |
3 |
2 |
10560 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
10600 |
17.3 |
0.0 |
0.491 |
0 |
0 |
0 |
0.000 |
50 |
|
C |
2 |
1 |
10409 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
2 |
10680 |
15.1 |
-0.0 |
0.506 |
0 |
0 |
0 |
0.000 |
| Average: |
16.2 |
-0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
[EDO]A:401 |
2 |
1 |
186 |
f |
[SAL]A:201 |
x,y,z |
1_555 |
2 |
1 |
277 |
4.3 |
-0.1 |
0.436 |
0 |
0 |
0 |
0.002 |
| 42 |
52 |
|
[NA]B:301 |
1 |
1 |
125 |
◊ |
[NA]C:301 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
1.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
|