| ## |
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 |
|
D |
216 |
53 |
12149 |
◊ |
C |
x,y,z |
1_555 |
218 |
56 |
12331 |
2156.2 |
-20.3 |
0.117 |
26 |
19 |
0 |
1.000 |
2 |
|
F |
209 |
52 |
12117 |
◊ |
E |
x,y,z |
1_555 |
212 |
55 |
12403 |
2108.8 |
-16.4 |
0.191 |
25 |
20 |
0 |
1.000 |
3 |
|
B |
209 |
56 |
12003 |
◊ |
A |
x,y,z |
1_555 |
210 |
55 |
12036 |
2105.8 |
-15.2 |
0.194 |
26 |
18 |
0 |
1.000 |
| Average: |
2123.6 |
-17.3 |
0.167 |
26 |
19 |
0 |
1.000 |
| 2 |
4 |
|
E |
68 |
19 |
12403 |
x |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
67 |
15 |
12403 |
648.1 |
-3.1 |
0.494 |
10 |
2 |
0 |
0.000 |
5 |
|
B |
55 |
15 |
12003 |
x |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
55 |
14 |
12331 |
485.5 |
-3.7 |
0.394 |
4 |
3 |
0 |
0.000 |
| Average: |
566.8 |
-3.4 |
0.444 |
7 |
3 |
0 |
0.000 |
| 3 |
6 |
|
C |
71 |
15 |
12331 |
◊ |
A |
x,y,z |
1_555 |
66 |
18 |
12036 |
565.1 |
-4.9 |
0.353 |
5 |
2 |
0 |
0.000 |
7 |
|
B |
60 |
15 |
12003 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
60 |
15 |
12117 |
491.8 |
-4.9 |
0.308 |
4 |
0 |
0 |
0.000 |
| Average: |
528.4 |
-4.9 |
0.331 |
5 |
1 |
0 |
0.000 |
| 4 |
8 |
|
E |
61 |
15 |
12403 |
◊ |
D |
x,y,z |
1_555 |
56 |
13 |
12149 |
477.3 |
-4.6 |
0.355 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
B |
24 |
7 |
12003 |
x |
B |
x-1,y,z |
1_455 |
30 |
9 |
12003 |
238.5 |
2.6 |
0.751 |
3 |
1 |
0 |
0.000 |
| 6 |
10 |
|
D |
24 |
9 |
12149 |
◊ |
F |
x-1/2,-y-1/2,-z+1 |
4_446 |
27 |
9 |
12117 |
233.0 |
0.3 |
0.588 |
3 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
21 |
8 |
12331 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
20 |
7 |
12003 |
155.2 |
2.1 |
0.819 |
0 |
1 |
0 |
0.000 |
| 8 |
12 |
|
C |
17 |
5 |
12331 |
x |
C |
x-1,y,z |
1_455 |
19 |
6 |
12331 |
139.8 |
-0.4 |
0.518 |
1 |
0 |
0 |
0.000 |
| 9 |
13 |
|
C |
12 |
4 |
12331 |
x |
B |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
5 |
12003 |
129.3 |
-0.8 |
0.466 |
0 |
0 |
0 |
0.000 |
14 |
|
E |
13 |
4 |
12403 |
x |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
14 |
5 |
12403 |
120.5 |
0.4 |
0.676 |
0 |
2 |
0 |
0.000 |
| Average: |
124.9 |
-0.2 |
0.571 |
0 |
1 |
0 |
0.000 |
| 10 |
15 |
|
F |
14 |
4 |
12117 |
x |
F |
x-1,y,z |
1_455 |
10 |
4 |
12117 |
109.0 |
0.6 |
0.711 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
F |
12 |
6 |
12117 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
10 |
4 |
12403 |
105.2 |
0.1 |
0.525 |
2 |
1 |
0 |
0.000 |
17 |
|
A |
10 |
6 |
12036 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
8 |
4 |
12331 |
67.3 |
-0.3 |
0.515 |
1 |
0 |
0 |
0.000 |
| Average: |
86.3 |
-0.1 |
0.520 |
2 |
1 |
0 |
0.000 |
| 12 |
18 |
|
A |
10 |
4 |
12036 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
5 |
12036 |
103.8 |
-1.6 |
0.316 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[EDO]C:301 |
4 |
1 |
182 |
◊ |
D |
x,y,z |
1_555 |
17 |
5 |
12149 |
78.9 |
2.9 |
0.516 |
1 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:301 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
12003 |
78.6 |
2.9 |
0.517 |
1 |
0 |
0 |
0.000 |
| Average: |
78.8 |
2.9 |
0.516 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[EDO]B:301 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
12036 |
77.1 |
2.8 |
0.516 |
1 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[EDO]D:301 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
12331 |
75.1 |
2.7 |
0.510 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[EDO]F:301 |
3 |
1 |
182 |
◊ |
E |
x,y,z |
1_555 |
15 |
4 |
12403 |
72.6 |
2.5 |
0.591 |
2 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[EDO]F:301 |
4 |
1 |
182 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
12117 |
72.4 |
2.4 |
0.303 |
3 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[EDO]D:301 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
12149 |
71.7 |
2.2 |
0.302 |
3 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[EDO]B:301 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
12003 |
70.1 |
2.2 |
0.310 |
4 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[EDO]A:301 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12036 |
70.1 |
2.1 |
0.308 |
4 |
0 |
0 |
0.000 |
| 21 |
28 |
|
[EDO]C:301 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12331 |
68.5 |
2.1 |
0.304 |
4 |
0 |
0 |
0.000 |
| 22 |
29 |
|
[NA]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
12036 |
65.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.251 |
| 23 |
30 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
12003 |
61.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.292 |
31 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
12036 |
33.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.292 |
| Average: |
47.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.292 |
| 24 |
32 |
|
D |
8 |
3 |
12149 |
x |
D |
x-1,y,z |
1_455 |
6 |
3 |
12149 |
50.0 |
-0.8 |
0.336 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
E |
3 |
2 |
12403 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
12117 |
46.0 |
-1.0 |
0.181 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
5 |
2 |
12003 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
12149 |
38.2 |
-1.1 |
0.184 |
0 |
0 |
0 |
0.000 |
| Average: |
42.1 |
-1.0 |
0.183 |
0 |
0 |
0 |
0.000 |
| 26 |
35 |
|
A |
4 |
3 |
12036 |
x |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
3 |
12036 |
42.6 |
1.1 |
0.838 |
1 |
1 |
0 |
0.000 |
| 27 |
36 |
|
F |
4 |
2 |
12117 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
2 |
12149 |
29.1 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
B |
4 |
2 |
12003 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
12331 |
28.8 |
-0.2 |
0.476 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
C |
2 |
1 |
12331 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
12149 |
14.0 |
0.3 |
0.534 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
D |
1 |
1 |
12149 |
◊ |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
12403 |
3.0 |
0.2 |
0.835 |
0 |
0 |
0 |
0.000 |
| 31 |
40 |
|
C |
1 |
1 |
12331 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
12036 |
1.8 |
0.1 |
0.759 |
0 |
0 |
0 |
0.000 |
|