| ## |
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 |
|
E |
481 |
131 |
19611 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
496 |
132 |
19529 |
4609.4 |
-54.6 |
0.005 |
82 |
20 |
0 |
0.675 |
2 |
|
G |
484 |
133 |
19584 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
482 |
133 |
19584 |
4601.4 |
-54.6 |
0.005 |
81 |
20 |
1 |
0.675 |
3 |
|
C |
479 |
131 |
19565 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
478 |
131 |
19565 |
4589.7 |
-56.2 |
0.003 |
85 |
20 |
1 |
0.675 |
| Average: |
4600.1 |
-55.1 |
0.004 |
83 |
20 |
1 |
0.675 |
| 2 |
4 |
|
I |
198 |
42 |
8932 |
◊ |
A |
x,y,z |
1_555 |
216 |
51 |
19529 |
1830.5 |
-9.0 |
0.581 |
20 |
5 |
0 |
0.511 |
5 |
|
K |
189 |
41 |
8871 |
◊ |
E |
x,y,z |
1_555 |
215 |
51 |
19611 |
1825.0 |
-10.9 |
0.512 |
22 |
7 |
0 |
0.511 |
6 |
|
L |
194 |
42 |
8816 |
◊ |
G |
x,y,z |
1_555 |
218 |
52 |
19584 |
1823.5 |
-8.8 |
0.591 |
20 |
6 |
0 |
0.511 |
7 |
|
J |
191 |
42 |
8906 |
◊ |
C |
x,y,z |
1_555 |
215 |
51 |
19565 |
1823.3 |
-8.4 |
0.619 |
22 |
5 |
0 |
0.511 |
| Average: |
1825.6 |
-9.3 |
0.576 |
21 |
6 |
0 |
0.511 |
| 3 |
8 |
|
I |
94 |
26 |
8932 |
◊ |
C |
x,y,z |
1_555 |
101 |
29 |
19565 |
870.2 |
-2.4 |
0.645 |
13 |
6 |
0 |
0.151 |
9 |
|
L |
95 |
27 |
8816 |
◊ |
A |
x,y,z |
1_555 |
100 |
29 |
19529 |
867.6 |
-2.2 |
0.688 |
13 |
5 |
0 |
0.151 |
10 |
|
J |
93 |
25 |
8906 |
◊ |
E |
x,y,z |
1_555 |
99 |
29 |
19611 |
865.1 |
-2.3 |
0.666 |
13 |
6 |
0 |
0.151 |
11 |
|
K |
91 |
24 |
8871 |
◊ |
G |
x,y,z |
1_555 |
104 |
29 |
19584 |
864.6 |
-2.1 |
0.674 |
13 |
6 |
0 |
0.151 |
| Average: |
866.9 |
-2.3 |
0.668 |
13 |
6 |
0 |
0.151 |
| 4 |
12 |
|
J |
51 |
11 |
8906 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
57 |
12 |
19529 |
504.6 |
-6.6 |
0.224 |
2 |
0 |
0 |
0.156 |
13 |
|
L |
51 |
13 |
8816 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
58 |
12 |
19611 |
499.7 |
-7.5 |
0.160 |
2 |
0 |
0 |
0.156 |
14 |
|
K |
50 |
11 |
8871 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
57 |
12 |
19584 |
492.1 |
-6.0 |
0.252 |
2 |
0 |
0 |
0.156 |
15 |
|
I |
49 |
11 |
8932 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
55 |
12 |
19565 |
465.1 |
-6.6 |
0.193 |
4 |
0 |
0 |
0.156 |
| Average: |
490.4 |
-6.6 |
0.207 |
3 |
0 |
0 |
0.156 |
| 5 |
16 |
|
G |
48 |
14 |
19584 |
◊ |
E |
x,y,z |
1_555 |
52 |
18 |
19611 |
504.0 |
3.0 |
0.863 |
7 |
6 |
0 |
0.029 |
17 |
|
G |
56 |
18 |
19584 |
◊ |
A |
x,y,z |
1_555 |
47 |
14 |
19529 |
500.5 |
2.6 |
0.853 |
7 |
6 |
0 |
0.029 |
18 |
|
C |
46 |
13 |
19565 |
◊ |
A |
x,y,z |
1_555 |
55 |
18 |
19529 |
500.1 |
1.4 |
0.738 |
8 |
5 |
0 |
0.029 |
19 |
|
E |
47 |
14 |
19611 |
◊ |
C |
x,y,z |
1_555 |
55 |
18 |
19565 |
493.7 |
2.7 |
0.861 |
8 |
5 |
0 |
0.029 |
| Average: |
499.6 |
2.4 |
0.829 |
8 |
6 |
0 |
0.029 |
| 6 |
20 |
|
C |
44 |
15 |
19565 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
46 |
15 |
19529 |
467.5 |
-3.2 |
0.397 |
5 |
2 |
0 |
0.057 |
21 |
|
G |
46 |
15 |
19584 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
44 |
15 |
19611 |
459.6 |
-2.6 |
0.452 |
5 |
2 |
0 |
0.057 |
| Average: |
463.6 |
-2.9 |
0.424 |
5 |
2 |
0 |
0.057 |
| 7 |
22 |
|
G |
50 |
16 |
19584 |
◊ |
A |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
44 |
16 |
19529 |
409.2 |
-1.6 |
0.575 |
1 |
1 |
0 |
0.000 |
| 8 |
23 |
|
L |
40 |
14 |
8816 |
◊ |
I |
x,y,z |
1_555 |
29 |
9 |
8932 |
347.9 |
-7.5 |
0.029 |
1 |
0 |
0 |
0.134 |
24 |
|
K |
30 |
9 |
8871 |
◊ |
J |
x,y,z |
1_555 |
43 |
14 |
8906 |
339.4 |
-7.3 |
0.053 |
1 |
0 |
0 |
0.134 |
25 |
|
L |
32 |
9 |
8816 |
◊ |
K |
x,y,z |
1_555 |
39 |
12 |
8871 |
335.9 |
-7.6 |
0.046 |
1 |
0 |
0 |
0.134 |
26 |
|
J |
28 |
8 |
8906 |
◊ |
I |
x,y,z |
1_555 |
45 |
15 |
8932 |
333.2 |
-7.4 |
0.033 |
1 |
0 |
0 |
0.134 |
| Average: |
339.1 |
-7.4 |
0.040 |
1 |
0 |
0 |
0.134 |
| 9 |
27 |
|
[CAP]G:477 |
20 |
1 |
484 |
f |
G |
x,y,z |
1_555 |
49 |
22 |
19584 |
289.9 |
-5.0 |
0.605 |
18 |
0 |
0 |
0.325 |
28 |
|
[CAP]C:477 |
20 |
1 |
486 |
f |
C |
x,y,z |
1_555 |
52 |
23 |
19565 |
289.4 |
-5.1 |
0.604 |
18 |
0 |
0 |
0.325 |
29 |
|
[CAP]A:477 |
20 |
1 |
481 |
f |
A |
x,y,z |
1_555 |
49 |
21 |
19529 |
287.2 |
-5.2 |
0.603 |
16 |
0 |
0 |
0.325 |
30 |
|
[CAP]E:477 |
20 |
1 |
481 |
f |
E |
x,y,z |
1_555 |
48 |
21 |
19611 |
286.5 |
-4.9 |
0.615 |
17 |
0 |
0 |
0.325 |
| Average: |
288.2 |
-5.1 |
0.607 |
17 |
0 |
0 |
0.325 |
| 10 |
31 |
|
E |
19 |
8 |
19611 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
21 |
9 |
19565 |
150.4 |
-1.5 |
0.427 |
0 |
0 |
0 |
0.000 |
| 11 |
32 |
|
L |
13 |
4 |
8816 |
◊ |
L |
x,-y,-z |
4_555 |
13 |
4 |
8816 |
147.7 |
1.5 |
0.864 |
4 |
6 |
0 |
0.000 |
33 |
|
I |
13 |
4 |
8932 |
◊ |
K |
x-1/2,-y+1/2,-z |
8_455 |
13 |
4 |
8871 |
138.5 |
1.2 |
0.823 |
4 |
7 |
0 |
0.000 |
34 |
|
J |
11 |
3 |
8906 |
◊ |
J |
x,-y+1,-z |
4_565 |
11 |
3 |
8906 |
129.9 |
1.6 |
0.875 |
4 |
8 |
0 |
0.000 |
| Average: |
138.7 |
1.4 |
0.854 |
4 |
7 |
0 |
0.000 |
| 12 |
35 |
|
[CAP]C:477 |
13 |
1 |
486 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
12 |
5 |
19565 |
101.5 |
-0.6 |
0.798 |
3 |
0 |
0 |
0.028 |
36 |
|
[CAP]G:477 |
13 |
1 |
484 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
11 |
4 |
19584 |
101.3 |
-0.7 |
0.784 |
3 |
0 |
0 |
0.028 |
37 |
|
[CAP]E:477 |
13 |
1 |
481 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
11 |
4 |
19529 |
100.0 |
-0.5 |
0.801 |
3 |
0 |
0 |
0.028 |
38 |
|
[CAP]A:477 |
13 |
1 |
481 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
11 |
4 |
19611 |
97.6 |
-0.7 |
0.789 |
3 |
0 |
0 |
0.028 |
| Average: |
100.1 |
-0.6 |
0.793 |
3 |
0 |
0 |
0.028 |
| 13 |
39 |
|
G |
10 |
2 |
19584 |
◊ |
G |
x,-y,-z |
4_555 |
10 |
2 |
19584 |
72.3 |
-1.0 |
0.387 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
9 |
2 |
19529 |
◊ |
E |
x-1/2,-y+1/2,-z |
8_455 |
8 |
2 |
19611 |
70.9 |
-1.0 |
0.368 |
0 |
0 |
0 |
0.000 |
| Average: |
71.6 |
-1.0 |
0.378 |
0 |
0 |
0 |
0.000 |
| 14 |
41 |
|
C |
8 |
2 |
19565 |
◊ |
C |
x,-y+1,-z |
4_565 |
8 |
2 |
19565 |
64.8 |
-0.8 |
0.413 |
0 |
0 |
0 |
0.000 |
| 15 |
42 |
|
L |
7 |
4 |
8816 |
◊ |
G |
x,-y,-z |
4_555 |
13 |
4 |
19584 |
42.0 |
-0.7 |
0.458 |
0 |
0 |
0 |
0.000 |
43 |
|
A |
8 |
4 |
19529 |
◊ |
K |
x-1/2,-y+1/2,-z |
8_455 |
8 |
4 |
8871 |
25.0 |
-0.3 |
0.577 |
0 |
0 |
0 |
0.000 |
44 |
|
J |
1 |
1 |
8906 |
◊ |
C |
x,-y+1,-z |
4_565 |
1 |
1 |
19565 |
1.1 |
-0.0 |
0.531 |
0 |
0 |
0 |
0.000 |
| Average: |
22.7 |
-0.3 |
0.522 |
0 |
0 |
0 |
0.000 |
| 16 |
45 |
|
[MG]A:476 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
19529 |
32.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.128 |
46 |
|
[MG]E:476 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
7 |
19611 |
32.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.128 |
47 |
|
[MG]C:476 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
19565 |
31.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.128 |
48 |
|
[MG]G:476 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
19584 |
31.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.128 |
| Average: |
32.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.128 |
| 17 |
49 |
|
[CAP]C:477 |
3 |
1 |
486 |
f |
[MG]C:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.084 |
50 |
|
[CAP]A:477 |
3 |
1 |
481 |
f |
[MG]A:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.084 |
51 |
|
[CAP]G:477 |
3 |
1 |
484 |
f |
[MG]G:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.084 |
52 |
|
[CAP]E:477 |
3 |
1 |
481 |
f |
[MG]E:476 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.084 |
| Average: |
28.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.084 |
| 18 |
53 |
|
[MG]G:476 |
1 |
1 |
98 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
19584 |
11.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
54 |
|
[MG]C:476 |
1 |
1 |
98 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
19565 |
11.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
55 |
|
[MG]E:476 |
1 |
1 |
98 |
◊ |
A |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
19529 |
11.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
56 |
|
[MG]A:476 |
1 |
1 |
98 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
19611 |
11.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| Average: |
11.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.013 |
| 19 |
57 |
|
I |
1 |
1 |
8932 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
19611 |
1.9 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
58 |
|
L |
1 |
1 |
8816 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
19584 |
0.9 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
59 |
|
J |
1 |
1 |
8906 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
1 |
1 |
19565 |
0.7 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
| Average: |
1.2 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
|