| ## |
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 |
223 |
51 |
11343 |
◊ |
A |
x,y,z |
1_555 |
218 |
52 |
11352 |
2168.9 |
-20.3 |
0.097 |
34 |
7 |
0 |
0.908 |
| 2 |
2 |
|
A |
62 |
22 |
11352 |
◊ |
A |
-x,y,-z |
2_555 |
62 |
22 |
11352 |
603.6 |
-1.4 |
0.572 |
6 |
4 |
0 |
0.090 |
3 |
|
C |
56 |
21 |
11343 |
◊ |
C |
-x,y,-z |
2_555 |
54 |
21 |
11343 |
499.6 |
-3.4 |
0.364 |
4 |
0 |
0 |
0.090 |
| Average: |
551.6 |
-2.4 |
0.468 |
5 |
2 |
0 |
0.090 |
| 3 |
4 |
|
H |
31 |
4 |
724 |
◊ |
C |
x,y,z |
1_555 |
61 |
24 |
11343 |
421.0 |
2.2 |
0.628 |
15 |
10 |
0 |
0.234 |
5 |
|
J |
31 |
4 |
719 |
◊ |
A |
x,y,z |
1_555 |
59 |
23 |
11352 |
395.6 |
2.7 |
0.638 |
15 |
9 |
0 |
0.234 |
| Average: |
408.3 |
2.4 |
0.633 |
15 |
10 |
0 |
0.234 |
| 4 |
6 |
|
D |
27 |
5 |
782 |
◊ |
C |
x,y,z |
1_555 |
43 |
13 |
11343 |
318.6 |
1.4 |
0.746 |
7 |
6 |
0 |
0.000 |
| 5 |
7 |
|
A |
37 |
8 |
11352 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
34 |
8 |
11343 |
315.1 |
0.8 |
0.479 |
2 |
0 |
0 |
0.000 |
8 |
|
A |
34 |
8 |
11352 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
37 |
9 |
11343 |
311.6 |
0.3 |
0.532 |
1 |
0 |
0 |
0.000 |
| Average: |
313.4 |
0.6 |
0.505 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
E |
27 |
5 |
800 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
11352 |
309.4 |
1.2 |
0.836 |
10 |
8 |
0 |
0.050 |
| 7 |
10 |
|
[DTT]A:301 |
7 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
11352 |
134.7 |
-3.4 |
0.403 |
4 |
0 |
0 |
0.128 |
| 8 |
11 |
|
A |
15 |
5 |
11352 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
12 |
5 |
782 |
122.2 |
1.0 |
0.740 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
E |
10 |
4 |
800 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
5 |
11343 |
99.9 |
1.1 |
0.778 |
0 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[AZI]C:301 |
3 |
1 |
159 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
11343 |
84.3 |
0.7 |
0.474 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[AZI]A:302 |
3 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
11352 |
84.2 |
0.7 |
0.487 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
[ACE]H:1 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
11343 |
69.6 |
0.1 |
0.794 |
1 |
0 |
0 |
0.013 |
| 13 |
16 |
|
[ACE]J:1 |
3 |
1 |
172 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
11352 |
67.5 |
0.1 |
0.803 |
2 |
0 |
0 |
0.016 |
| 14 |
17 |
|
[ACE]H:1 |
3 |
1 |
172 |
cf |
H |
x,y,z |
1_555 |
9 |
2 |
724 |
63.6 |
-0.2 |
0.714 |
1 |
0 |
0 |
0.022 |
| 15 |
18 |
|
[ACE]J:1 |
3 |
1 |
172 |
cf |
J |
x,y,z |
1_555 |
9 |
2 |
719 |
62.6 |
-0.2 |
0.707 |
1 |
0 |
0 |
0.013 |
| 16 |
19 |
|
E |
8 |
2 |
800 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
11352 |
59.6 |
-0.0 |
0.670 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
C |
6 |
1 |
11343 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
6 |
2 |
782 |
55.7 |
-1.4 |
0.324 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[0QE]H:6 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
11343 |
52.5 |
1.8 |
0.630 |
0 |
0 |
0 |
0.000 |
22 |
|
[0QE]J:6 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
11352 |
41.2 |
1.4 |
0.688 |
0 |
0 |
0 |
0.000 |
| Average: |
46.9 |
1.6 |
0.659 |
0 |
0 |
0 |
0.000 |
| 19 |
23 |
|
[0QE]H:6 |
1 |
1 |
129 |
cf |
H |
x,y,z |
1_555 |
6 |
2 |
724 |
48.0 |
1.6 |
0.584 |
0 |
0 |
0 |
0.000 |
24 |
|
[0QE]J:6 |
1 |
1 |
129 |
cf |
J |
x,y,z |
1_555 |
6 |
2 |
719 |
38.7 |
1.2 |
0.571 |
0 |
0 |
0 |
0.000 |
| Average: |
43.3 |
1.4 |
0.578 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[DTT]A:301 |
4 |
1 |
295 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
719 |
41.1 |
-0.9 |
0.435 |
1 |
0 |
0 |
0.029 |
| 21 |
26 |
|
[DTT]A:301 |
4 |
1 |
295 |
◊ |
A |
-x,y,-z |
2_555 |
8 |
5 |
11352 |
35.7 |
-0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[DTT]A:301 |
5 |
1 |
295 |
◊ |
[DTT]A:301 |
-x,y,-z |
2_555 |
5 |
1 |
295 |
31.2 |
-0.6 |
0.642 |
1 |
0 |
0 |
0.010 |
| 23 |
28 |
|
[0QE]J:6 |
1 |
1 |
129 |
◊ |
[DTT]A:301 |
x,y,z |
1_555 |
4 |
1 |
295 |
30.8 |
0.9 |
0.795 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
J |
4 |
2 |
719 |
◊ |
A |
-x,y,-z |
2_555 |
6 |
2 |
11352 |
28.1 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.007 |
30 |
|
H |
2 |
1 |
724 |
◊ |
C |
-x,y,-z |
2_555 |
3 |
1 |
11343 |
21.8 |
-0.2 |
0.441 |
0 |
0 |
0 |
0.007 |
| Average: |
24.9 |
-0.2 |
0.455 |
0 |
0 |
0 |
0.007 |
| 25 |
31 |
|
A |
1 |
1 |
11352 |
x |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
11352 |
14.5 |
-0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
2 |
1 |
11343 |
x |
C |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
11343 |
7.7 |
0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| Average: |
11.1 |
0.0 |
0.483 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
A |
1 |
1 |
11352 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
1 |
1 |
11352 |
14.2 |
-0.5 |
0.174 |
0 |
0 |
0 |
0.000 |
34 |
|
C |
2 |
1 |
11343 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
2 |
1 |
11343 |
7.7 |
0.2 |
0.735 |
0 |
0 |
0 |
0.000 |
| Average: |
11.0 |
-0.1 |
0.455 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[0QE]H:6 |
1 |
1 |
129 |
◊ |
C |
-x,y,-z |
2_555 |
1 |
1 |
11343 |
2.5 |
0.1 |
0.861 |
0 |
0 |
0 |
0.000 |
36 |
|
[0QE]J:6 |
1 |
1 |
129 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
11352 |
0.6 |
0.0 |
0.827 |
0 |
0 |
0 |
0.000 |
| Average: |
1.5 |
0.1 |
0.844 |
0 |
0 |
0 |
0.000 |
|