| ## |
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 |
224 |
62 |
15677 |
◊ |
C |
x,y,z |
1_555 |
221 |
60 |
15555 |
2204.5 |
-28.9 |
0.005 |
38 |
4 |
0 |
0.708 |
2 |
|
F |
226 |
63 |
15562 |
◊ |
E |
x,y,z |
1_555 |
222 |
66 |
15615 |
2198.3 |
-29.3 |
0.004 |
35 |
4 |
0 |
0.708 |
3 |
|
B |
225 |
63 |
15408 |
◊ |
A |
x,y,z |
1_555 |
221 |
60 |
15641 |
2184.8 |
-29.4 |
0.005 |
38 |
4 |
0 |
0.708 |
| Average: |
2195.9 |
-29.2 |
0.005 |
37 |
4 |
0 |
0.708 |
| 2 |
4 |
|
A |
64 |
20 |
15641 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
64 |
20 |
15615 |
571.8 |
3.7 |
0.848 |
11 |
13 |
0 |
0.000 |
5 |
|
D |
50 |
18 |
15677 |
◊ |
B |
x-1,y,z |
1_455 |
51 |
18 |
15408 |
471.8 |
1.1 |
0.730 |
9 |
11 |
0 |
0.000 |
| Average: |
521.8 |
2.4 |
0.789 |
10 |
12 |
0 |
0.000 |
| 3 |
6 |
|
C |
74 |
21 |
15555 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
56 |
17 |
15677 |
529.8 |
0.1 |
0.605 |
4 |
8 |
0 |
0.009 |
| 4 |
7 |
|
F |
30 |
10 |
15562 |
x |
D |
x,y,z |
1_555 |
45 |
10 |
15677 |
306.2 |
-0.4 |
0.577 |
4 |
0 |
0 |
0.000 |
8 |
|
A |
28 |
9 |
15641 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
8 |
15641 |
197.0 |
0.2 |
0.641 |
2 |
0 |
0 |
0.000 |
| Average: |
251.6 |
-0.1 |
0.609 |
3 |
0 |
0 |
0.000 |
| 5 |
9 |
|
[T46]B:402 |
27 |
1 |
667 |
◊ |
A |
x,y,z |
1_555 |
31 |
14 |
15641 |
285.8 |
-2.1 |
0.264 |
0 |
0 |
0 |
0.031 |
| 6 |
10 |
|
E |
25 |
8 |
15615 |
◊ |
D |
x,y,z |
1_555 |
32 |
11 |
15677 |
273.8 |
1.5 |
0.747 |
5 |
3 |
0 |
0.000 |
11 |
|
A |
34 |
12 |
15641 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
10 |
15408 |
273.3 |
0.8 |
0.687 |
5 |
3 |
0 |
0.000 |
| Average: |
273.6 |
1.2 |
0.717 |
5 |
3 |
0 |
0.000 |
| 7 |
12 |
|
D |
32 |
11 |
15677 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
15408 |
270.6 |
-1.4 |
0.363 |
1 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[T46]B:402 |
22 |
1 |
667 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
15408 |
241.7 |
-4.3 |
0.592 |
8 |
0 |
0 |
0.119 |
| 9 |
14 |
|
C |
27 |
9 |
15555 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
24 |
7 |
15562 |
232.6 |
3.0 |
0.867 |
3 |
5 |
0 |
0.000 |
| 10 |
15 |
|
[TYD]F:500 |
18 |
1 |
530 |
f |
F |
x,y,z |
1_555 |
25 |
9 |
15562 |
216.3 |
-6.4 |
0.623 |
5 |
0 |
0 |
0.235 |
16 |
|
[TYD]E:500 |
18 |
1 |
515 |
f |
E |
x,y,z |
1_555 |
27 |
9 |
15615 |
212.8 |
-6.3 |
0.664 |
5 |
0 |
0 |
0.235 |
17 |
|
[TYD]D:500 |
19 |
1 |
509 |
f |
D |
x,y,z |
1_555 |
25 |
9 |
15677 |
203.6 |
-5.4 |
0.693 |
6 |
0 |
0 |
0.235 |
| Average: |
210.9 |
-6.1 |
0.660 |
5 |
0 |
0 |
0.235 |
| 11 |
18 |
|
[TYD]F:500 |
20 |
1 |
530 |
◊ |
E |
x,y,z |
1_555 |
25 |
12 |
15615 |
191.4 |
-5.7 |
0.290 |
0 |
0 |
0 |
0.141 |
19 |
|
[TYD]D:500 |
19 |
1 |
509 |
◊ |
C |
x,y,z |
1_555 |
20 |
11 |
15555 |
168.7 |
-4.5 |
0.279 |
0 |
0 |
0 |
0.141 |
20 |
|
[TYD]E:500 |
18 |
1 |
515 |
◊ |
F |
x,y,z |
1_555 |
20 |
10 |
15562 |
162.5 |
-4.6 |
0.295 |
0 |
0 |
0 |
0.141 |
| Average: |
174.2 |
-4.9 |
0.288 |
0 |
0 |
0 |
0.141 |
| 12 |
21 |
|
E |
16 |
5 |
15615 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
4 |
15408 |
162.3 |
0.4 |
0.670 |
4 |
0 |
0 |
0.000 |
| 13 |
22 |
|
F |
18 |
6 |
15562 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
15408 |
146.3 |
-0.6 |
0.520 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
C |
16 |
6 |
15555 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
16 |
3 |
15562 |
146.3 |
2.7 |
0.876 |
3 |
5 |
0 |
0.000 |
| 15 |
24 |
|
E |
20 |
7 |
15615 |
◊ |
F |
x-1,y,z |
1_455 |
15 |
4 |
15562 |
136.4 |
-1.7 |
0.337 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
C |
9 |
4 |
15555 |
x |
C |
-x,y-1/2,-z |
2_545 |
12 |
3 |
15555 |
78.3 |
-1.4 |
0.301 |
0 |
0 |
0 |
0.000 |
| 17 |
26 |
|
B |
8 |
3 |
15408 |
◊ |
E |
x,y-1,z |
1_545 |
8 |
4 |
15615 |
76.4 |
-0.8 |
0.254 |
0 |
0 |
0 |
0.000 |
| 18 |
27 |
|
[SO4]C:401 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
15555 |
68.6 |
-9.6 |
0.847 |
2 |
0 |
0 |
0.151 |
| 19 |
28 |
|
[SO4]B:401 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
15408 |
63.7 |
-8.9 |
0.757 |
1 |
0 |
0 |
0.141 |
| 20 |
29 |
|
[SO4]C:401 |
4 |
1 |
184 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
6 |
3 |
15677 |
50.9 |
-6.6 |
0.848 |
1 |
0 |
0 |
0.023 |
| 21 |
30 |
|
A |
4 |
2 |
15641 |
◊ |
[SO4]B:401 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
184 |
45.2 |
-4.0 |
0.964 |
2 |
0 |
0 |
0.000 |
| 22 |
31 |
|
A |
5 |
2 |
15641 |
◊ |
E |
x,y-1,z |
1_545 |
4 |
2 |
15615 |
32.3 |
-0.5 |
0.380 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[SO4]C:401 |
3 |
1 |
184 |
◊ |
[TYD]D:500 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
509 |
22.6 |
-2.5 |
0.886 |
0 |
0 |
0 |
0.008 |
|