## |
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 |
161 |
43 |
10941 |
◊ |
C |
x,y,z |
1_555 |
161 |
43 |
10780 |
1377.4 |
-18.5 |
0.269 |
22 |
0 |
0 |
0.428 |
2 |
|
B |
157 |
42 |
10945 |
◊ |
A |
x,y,z |
1_555 |
158 |
43 |
10991 |
1374.3 |
-18.1 |
0.250 |
22 |
0 |
0 |
0.428 |
Average: |
1375.9 |
-18.3 |
0.260 |
22 |
0 |
0 |
0.428 |
2 |
3 |
|
C |
150 |
40 |
10780 |
◊ |
A |
x,y,z |
1_555 |
152 |
41 |
10991 |
1351.4 |
-21.5 |
0.111 |
6 |
0 |
0 |
0.407 |
4 |
|
D |
152 |
40 |
10941 |
◊ |
B |
x,y,z |
1_555 |
152 |
40 |
10945 |
1347.4 |
-23.3 |
0.072 |
6 |
0 |
0 |
0.407 |
Average: |
1349.4 |
-22.4 |
0.092 |
6 |
0 |
0 |
0.407 |
3 |
5 |
|
[NAI]C:301 |
42 |
1 |
839 |
f |
C |
x,y,z |
1_555 |
81 |
32 |
10780 |
579.0 |
-7.8 |
0.574 |
11 |
0 |
0 |
0.409 |
6 |
|
[NAI]B:301 |
42 |
1 |
833 |
f |
B |
x,y,z |
1_555 |
82 |
34 |
10945 |
577.4 |
-7.8 |
0.572 |
10 |
0 |
0 |
0.409 |
7 |
|
[NAI]D:301 |
42 |
1 |
835 |
f |
D |
x,y,z |
1_555 |
84 |
34 |
10941 |
577.0 |
-7.7 |
0.591 |
11 |
0 |
0 |
0.409 |
8 |
|
[NAI]A:301 |
42 |
1 |
834 |
f |
A |
x,y,z |
1_555 |
78 |
34 |
10991 |
574.4 |
-7.7 |
0.567 |
11 |
0 |
0 |
0.409 |
Average: |
577.0 |
-7.8 |
0.576 |
11 |
0 |
0 |
0.409 |
4 |
9 |
|
A |
41 |
15 |
10991 |
◊ |
A |
-x,-y+2,z |
2_575 |
40 |
15 |
10991 |
340.3 |
1.5 |
0.901 |
2 |
2 |
0 |
0.000 |
5 |
10 |
|
[1HS]B:302 |
11 |
1 |
350 |
f |
B |
x,y,z |
1_555 |
35 |
18 |
10945 |
223.9 |
-3.4 |
0.526 |
4 |
0 |
0 |
0.170 |
11 |
|
[1HS]C:302 |
11 |
1 |
352 |
f |
C |
x,y,z |
1_555 |
31 |
16 |
10780 |
223.8 |
-3.2 |
0.510 |
4 |
0 |
0 |
0.170 |
12 |
|
[1HS]D:302 |
11 |
1 |
350 |
f |
D |
x,y,z |
1_555 |
36 |
18 |
10941 |
222.9 |
-3.9 |
0.477 |
4 |
0 |
0 |
0.170 |
13 |
|
[1HS]A:302 |
11 |
1 |
351 |
f |
A |
x,y,z |
1_555 |
35 |
17 |
10991 |
220.3 |
-3.5 |
0.512 |
4 |
0 |
0 |
0.170 |
Average: |
222.7 |
-3.5 |
0.506 |
4 |
0 |
0 |
0.170 |
6 |
14 |
|
B |
28 |
10 |
10945 |
◊ |
B |
-x,-y+3,z |
2_585 |
28 |
10 |
10945 |
221.6 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
15 |
|
D |
21 |
8 |
10941 |
◊ |
D |
-x+1,-y+3,z |
2_685 |
21 |
8 |
10941 |
151.3 |
-0.3 |
0.734 |
0 |
0 |
0 |
0.000 |
Average: |
186.5 |
0.1 |
0.776 |
0 |
0 |
0 |
0.000 |
7 |
16 |
|
C |
25 |
8 |
10780 |
◊ |
C |
-x+1,-y+2,z |
2_675 |
25 |
8 |
10780 |
218.7 |
1.4 |
0.884 |
0 |
0 |
0 |
0.000 |
8 |
17 |
|
D |
27 |
6 |
10941 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
5 |
10945 |
203.4 |
-3.9 |
0.251 |
0 |
0 |
0 |
0.000 |
9 |
18 |
|
C |
24 |
9 |
10780 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
10945 |
194.4 |
-1.1 |
0.664 |
2 |
0 |
0 |
0.022 |
19 |
|
D |
25 |
10 |
10941 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
10991 |
192.5 |
-1.1 |
0.671 |
2 |
0 |
0 |
0.022 |
Average: |
193.5 |
-1.1 |
0.667 |
2 |
0 |
0 |
0.022 |
10 |
20 |
|
A |
13 |
5 |
10991 |
◊ |
D |
x-1/2,-y+5/2,-z+2 |
4_477 |
14 |
4 |
10941 |
125.8 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
21 |
|
B |
15 |
6 |
10945 |
◊ |
C |
x-1/2,-y+5/2,-z+3 |
4_478 |
11 |
4 |
10780 |
115.2 |
0.7 |
0.814 |
0 |
0 |
0 |
0.000 |
Average: |
120.5 |
0.5 |
0.782 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
A |
11 |
2 |
10991 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
4 |
10945 |
88.0 |
-0.5 |
0.591 |
2 |
1 |
0 |
0.000 |
23 |
|
D |
9 |
3 |
10941 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
1 |
10780 |
58.5 |
1.0 |
0.742 |
0 |
1 |
0 |
0.000 |
Average: |
73.3 |
0.2 |
0.667 |
1 |
1 |
0 |
0.000 |
12 |
24 |
|
[1HS]C:302 |
4 |
1 |
352 |
f |
[NAI]C:301 |
x,y,z |
1_555 |
9 |
1 |
839 |
54.7 |
-1.1 |
0.586 |
0 |
0 |
0 |
0.036 |
25 |
|
[1HS]D:302 |
4 |
1 |
350 |
f |
[NAI]D:301 |
x,y,z |
1_555 |
8 |
1 |
835 |
53.9 |
-1.1 |
0.597 |
0 |
0 |
0 |
0.036 |
26 |
|
[1HS]A:302 |
4 |
1 |
351 |
f |
[NAI]A:301 |
x,y,z |
1_555 |
9 |
1 |
834 |
52.5 |
-1.1 |
0.621 |
0 |
0 |
0 |
0.036 |
27 |
|
[1HS]B:302 |
4 |
1 |
350 |
f |
[NAI]B:301 |
x,y,z |
1_555 |
9 |
1 |
833 |
51.4 |
-1.0 |
0.618 |
0 |
0 |
0 |
0.036 |
Average: |
53.1 |
-1.1 |
0.606 |
0 |
0 |
0 |
0.036 |
13 |
28 |
|
A |
9 |
6 |
10991 |
◊ |
D |
x-1/2,-y+5/2,-z+3 |
4_478 |
8 |
4 |
10941 |
54.6 |
-0.4 |
0.571 |
0 |
0 |
0 |
0.000 |
29 |
|
B |
2 |
1 |
10945 |
◊ |
C |
x-1/2,-y+5/2,-z+2 |
4_477 |
1 |
1 |
10780 |
21.7 |
-0.1 |
0.319 |
0 |
0 |
0 |
0.000 |
Average: |
38.1 |
-0.2 |
0.445 |
0 |
0 |
0 |
0.000 |
14 |
30 |
|
C |
5 |
2 |
10780 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
3_548 |
5 |
2 |
10945 |
33.5 |
-1.3 |
0.240 |
0 |
0 |
0 |
0.000 |
15 |
31 |
|
C |
7 |
4 |
10780 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
6 |
4 |
10945 |
26.1 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
3 |
3 |
10991 |
◊ |
D |
-x+1/2,y-1/2,-z+3 |
3_548 |
4 |
2 |
10941 |
10.2 |
0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
Average: |
18.2 |
0.2 |
0.710 |
0 |
0 |
0 |
0.000 |
16 |
33 |
|
A |
1 |
1 |
10991 |
◊ |
C |
x-1/2,-y+5/2,-z+3 |
4_478 |
2 |
1 |
10780 |
9.3 |
-0.2 |
0.329 |
0 |
0 |
0 |
0.000 |
17 |
34 |
|
A |
2 |
1 |
10991 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
3_547 |
1 |
1 |
10941 |
0.8 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
|