| ## |
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 |
108 |
28 |
9523 |
◊ |
A |
x,y,z |
1_555 |
112 |
28 |
9819 |
1101.5 |
-3.5 |
0.481 |
15 |
10 |
0 |
0.486 |
2 |
|
D |
113 |
29 |
9561 |
◊ |
C |
x,y,z |
1_555 |
110 |
28 |
9572 |
1091.5 |
-3.0 |
0.463 |
18 |
12 |
0 |
0.486 |
3 |
|
F |
113 |
32 |
9565 |
◊ |
E |
x,y,z |
1_555 |
111 |
30 |
9917 |
1085.1 |
-3.8 |
0.478 |
14 |
9 |
0 |
0.486 |
| Average: |
1092.7 |
-3.4 |
0.474 |
16 |
10 |
0 |
0.486 |
| 2 |
4 |
|
C |
67 |
22 |
9572 |
◊ |
B |
x,y,z |
1_555 |
82 |
21 |
9523 |
706.7 |
-1.8 |
0.536 |
13 |
8 |
0 |
0.349 |
5 |
|
D |
84 |
22 |
9561 |
◊ |
A |
x,y,z |
1_555 |
67 |
22 |
9819 |
693.2 |
-2.5 |
0.426 |
11 |
7 |
0 |
0.349 |
6 |
|
E |
63 |
21 |
9917 |
◊ |
C |
x,y,z |
1_555 |
77 |
21 |
9572 |
687.7 |
-2.0 |
0.486 |
12 |
8 |
0 |
0.349 |
7 |
|
B |
66 |
22 |
9523 |
◊ |
A |
-x+2,y,-z+3 |
2_758 |
84 |
23 |
9819 |
687.1 |
-3.3 |
0.408 |
9 |
7 |
0 |
0.349 |
8 |
|
F |
80 |
21 |
9565 |
◊ |
D |
x,y,z |
1_555 |
64 |
24 |
9561 |
669.2 |
-3.5 |
0.372 |
12 |
6 |
0 |
0.349 |
| Average: |
688.8 |
-2.6 |
0.446 |
11 |
7 |
0 |
0.349 |
| 3 |
9 |
|
A |
60 |
16 |
9819 |
◊ |
F |
-x+5/2,y-1/2,-z+3 |
4_748 |
68 |
25 |
9565 |
586.1 |
-3.2 |
0.274 |
7 |
5 |
0 |
0.108 |
| 4 |
10 |
|
F |
35 |
11 |
9565 |
◊ |
E |
-x+2,y,-z+3 |
2_758 |
43 |
11 |
9917 |
355.4 |
1.3 |
0.686 |
8 |
6 |
0 |
0.025 |
| 5 |
11 |
|
B |
30 |
8 |
9523 |
◊ |
B |
-x+2,y,-z+3 |
2_758 |
30 |
8 |
9523 |
275.7 |
-1.8 |
0.384 |
2 |
0 |
0 |
0.060 |
12 |
|
C |
30 |
8 |
9572 |
◊ |
A |
x,y,z |
1_555 |
31 |
8 |
9819 |
270.8 |
-1.9 |
0.360 |
2 |
0 |
0 |
0.060 |
13 |
|
E |
32 |
8 |
9917 |
◊ |
D |
x,y,z |
1_555 |
30 |
8 |
9561 |
270.4 |
-1.7 |
0.359 |
4 |
0 |
0 |
0.060 |
| Average: |
272.3 |
-1.8 |
0.368 |
3 |
0 |
0 |
0.060 |
| 6 |
14 |
|
[MPD]F:201 |
7 |
1 |
282 |
f |
F |
x,y,z |
1_555 |
20 |
11 |
9565 |
152.6 |
-9.4 |
0.603 |
1 |
0 |
0 |
0.288 |
| 7 |
15 |
|
[PO4]E:202 |
5 |
1 |
188 |
f |
E |
x,y,z |
1_555 |
21 |
11 |
9917 |
111.9 |
-6.8 |
0.664 |
5 |
0 |
0 |
0.266 |
| 8 |
16 |
|
[PO4]A:203 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
9819 |
111.6 |
-7.5 |
0.595 |
5 |
0 |
0 |
0.403 |
| 9 |
17 |
|
[PO4]D:201 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
9561 |
109.3 |
-7.3 |
0.567 |
4 |
0 |
0 |
0.299 |
| 10 |
18 |
|
[IPA]A:202 |
4 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
9819 |
108.0 |
2.7 |
0.266 |
0 |
0 |
0 |
0.000 |
| 11 |
19 |
|
[IPA]B:201 |
4 |
1 |
198 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
9523 |
107.2 |
4.1 |
0.476 |
0 |
0 |
0 |
0.000 |
| 12 |
20 |
|
[IPA]C:202 |
4 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
9572 |
105.9 |
3.3 |
0.274 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[PO4]C:203 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
9572 |
105.5 |
-7.2 |
0.549 |
5 |
0 |
0 |
0.312 |
| 14 |
22 |
|
A |
8 |
2 |
9819 |
◊ |
D |
-x+5/2,y-1/2,-z+3 |
4_748 |
9 |
4 |
9561 |
70.3 |
1.4 |
0.745 |
2 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[IPA]C:202 |
3 |
1 |
198 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
9917 |
67.6 |
1.6 |
0.183 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[IPA]B:201 |
4 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
9572 |
60.7 |
1.0 |
0.119 |
0 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
9523 |
47.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.224 |
26 |
|
[MN]C:201 |
1 |
1 |
123 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
9561 |
46.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.224 |
27 |
|
[MN]C:201 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
9572 |
46.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.224 |
28 |
|
[MN]A:201 |
1 |
1 |
123 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
9819 |
46.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.224 |
29 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
9917 |
46.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.224 |
30 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
9565 |
46.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.224 |
| Average: |
46.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.224 |
| 18 |
31 |
|
D |
8 |
3 |
9561 |
◊ |
F |
-x+5/2,y-1/2,-z+3 |
4_748 |
6 |
3 |
9565 |
32.0 |
1.1 |
0.811 |
0 |
0 |
0 |
0.000 |
|