| ## |
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 |
127 |
35 |
11323 |
◊ |
A |
x,y,z |
1_555 |
126 |
36 |
11260 |
1283.1 |
-29.5 |
0.159 |
5 |
1 |
0 |
0.258 |
| 2 |
2 |
|
[HEC]A:301 |
43 |
1 |
810 |
f |
A |
x,y,z |
1_555 |
90 |
32 |
11260 |
592.1 |
-22.7 |
0.625 |
2 |
0 |
0 |
0.365 |
| 3 |
3 |
|
[HEC]B:302 |
43 |
1 |
818 |
f |
B |
x,y,z |
1_555 |
91 |
24 |
11323 |
591.5 |
-20.8 |
0.810 |
0 |
0 |
0 |
0.341 |
4 |
|
[HEC]A:302 |
42 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
83 |
22 |
11260 |
555.7 |
-19.5 |
0.807 |
0 |
0 |
0 |
0.341 |
| Average: |
573.6 |
-20.1 |
0.809 |
0 |
0 |
0 |
0.341 |
| 4 |
5 |
|
[HEC]B:301 |
43 |
1 |
813 |
f |
B |
x,y,z |
1_555 |
88 |
32 |
11323 |
571.9 |
-22.0 |
0.653 |
2 |
0 |
0 |
0.194 |
| 5 |
6 |
|
B |
54 |
17 |
11323 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
52 |
16 |
11260 |
472.7 |
-8.9 |
0.561 |
2 |
0 |
0 |
0.083 |
| 6 |
7 |
|
A |
38 |
11 |
11260 |
◊ |
A |
-x,-y+1,z |
2_565 |
38 |
11 |
11260 |
342.7 |
2.1 |
0.990 |
2 |
0 |
0 |
0.000 |
| 7 |
8 |
|
B |
34 |
8 |
11323 |
◊ |
A |
-x-1/2,-y+1/2,z-1/2 |
6_454 |
30 |
11 |
11260 |
260.1 |
-3.7 |
0.747 |
2 |
0 |
0 |
0.036 |
| 8 |
9 |
|
B |
29 |
9 |
11323 |
◊ |
B |
-x,-y,z |
2_555 |
29 |
9 |
11323 |
239.3 |
-3.0 |
0.785 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
B |
31 |
10 |
11323 |
◊ |
A |
-x-1/2,y-1/2,-z+1/2 |
8_445 |
21 |
5 |
11260 |
231.2 |
0.0 |
0.939 |
4 |
1 |
0 |
0.016 |
| 10 |
11 |
|
[ASC]B:304 |
12 |
1 |
294 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
11323 |
189.7 |
2.4 |
0.560 |
3 |
0 |
0 |
0.000 |
12 |
|
[ASC]A:303 |
12 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
11260 |
182.2 |
2.0 |
0.531 |
4 |
0 |
0 |
0.000 |
| Average: |
185.9 |
2.2 |
0.546 |
4 |
0 |
0 |
0.000 |
| 11 |
13 |
|
B |
23 |
6 |
11323 |
◊ |
B |
x,-y,-z |
3_555 |
23 |
6 |
11323 |
184.0 |
0.4 |
0.946 |
6 |
0 |
0 |
0.009 |
| 12 |
14 |
|
[ASC]B:303 |
12 |
1 |
306 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
11323 |
161.1 |
3.3 |
0.700 |
4 |
0 |
0 |
0.000 |
| 13 |
15 |
|
A |
13 |
3 |
11260 |
x |
A |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
17 |
6 |
11260 |
140.8 |
-3.3 |
0.346 |
0 |
0 |
0 |
0.000 |
| 14 |
16 |
|
[SO4]A:304 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
11260 |
81.8 |
-10.7 |
0.934 |
1 |
0 |
0 |
0.173 |
| 15 |
17 |
|
A |
8 |
3 |
11260 |
◊ |
B |
-x-1/2,y-1/2,-z+1/2 |
8_445 |
8 |
2 |
11323 |
81.7 |
-0.1 |
0.802 |
0 |
2 |
0 |
0.000 |
| 16 |
18 |
|
A |
7 |
2 |
11260 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
8 |
4 |
11323 |
74.1 |
-3.2 |
0.102 |
1 |
0 |
0 |
0.000 |
| 17 |
19 |
|
B |
8 |
3 |
11323 |
◊ |
B |
-x-1,y,-z |
4_455 |
8 |
3 |
11323 |
65.1 |
-1.2 |
0.596 |
0 |
0 |
0 |
0.005 |
| 18 |
20 |
|
[SO4]A:304 |
5 |
1 |
187 |
cf |
A |
-x,-y+1,z |
2_565 |
7 |
2 |
11260 |
63.1 |
-7.4 |
0.977 |
2 |
0 |
0 |
0.129 |
| 19 |
21 |
|
[ASC]B:303 |
7 |
1 |
306 |
f |
[HEC]B:302 |
x,y,z |
1_555 |
5 |
1 |
818 |
52.1 |
0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[HEC]A:302 |
3 |
1 |
818 |
◊ |
A |
-x,-y+1,z |
2_565 |
4 |
1 |
11260 |
42.7 |
-0.4 |
0.701 |
1 |
0 |
0 |
0.012 |
| 21 |
23 |
|
[ASC]A:303 |
5 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11323 |
42.5 |
1.4 |
0.517 |
3 |
0 |
0 |
0.000 |
24 |
|
[ASC]B:304 |
2 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
11260 |
24.6 |
0.5 |
0.454 |
0 |
0 |
0 |
0.000 |
| Average: |
33.5 |
1.0 |
0.485 |
2 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[ASC]B:304 |
4 |
1 |
294 |
f |
[HEC]B:301 |
x,y,z |
1_555 |
3 |
1 |
813 |
38.2 |
-0.0 |
0.450 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[ASC]A:303 |
4 |
1 |
294 |
f |
[HEC]A:301 |
x,y,z |
1_555 |
3 |
1 |
810 |
38.0 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
A |
5 |
2 |
11260 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
2 |
11260 |
37.0 |
-0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
| 25 |
28 |
|
A |
3 |
1 |
11260 |
x |
A |
-x-1/2,y-1/2,-z+1/2 |
8_445 |
2 |
1 |
11260 |
31.8 |
-0.7 |
0.323 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
B |
3 |
1 |
11323 |
◊ |
B |
-x,y,-z |
4_555 |
3 |
1 |
11323 |
26.5 |
-0.8 |
0.354 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
B |
2 |
1 |
11323 |
◊ |
B |
x,-y+1,-z |
3_565 |
2 |
1 |
11323 |
23.8 |
0.9 |
0.959 |
0 |
0 |
0 |
0.000 |
| 28 |
31 |
|
[SO4]A:304 |
3 |
1 |
187 |
◊ |
[HEC]A:302 |
x,y,z |
1_555 |
1 |
1 |
818 |
16.3 |
-2.0 |
0.644 |
0 |
0 |
0 |
0.032 |
| 29 |
32 |
|
[HEC]B:301 |
2 |
1 |
813 |
◊ |
A |
x-1/2,-y+1/2,-z+1/2 |
7_455 |
2 |
1 |
11260 |
15.7 |
-1.0 |
0.413 |
0 |
0 |
0 |
0.008 |
| 30 |
33 |
|
B |
1 |
1 |
11323 |
◊ |
A |
-x,-y,z |
2_555 |
1 |
1 |
11260 |
5.3 |
0.2 |
0.890 |
0 |
0 |
0 |
0.000 |
|