| ## |
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 |
130 |
34 |
21721 |
◊ |
B |
-x,-y,z |
2_555 |
131 |
34 |
21721 |
1317.3 |
-18.1 |
0.010 |
18 |
8 |
0 |
0.355 |
2 |
|
A |
130 |
35 |
21553 |
◊ |
A |
-x,-y,z |
2_555 |
129 |
35 |
21553 |
1301.1 |
-18.1 |
0.008 |
12 |
0 |
0 |
0.355 |
| Average: |
1309.2 |
-18.1 |
0.009 |
15 |
4 |
0 |
0.355 |
| 2 |
3 |
|
B |
71 |
26 |
21721 |
◊ |
A |
x,y,z |
1_555 |
74 |
26 |
21553 |
746.3 |
-6.4 |
0.162 |
7 |
8 |
0 |
0.169 |
| 3 |
4 |
|
B |
56 |
18 |
21721 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
52 |
13 |
21553 |
460.8 |
1.3 |
0.717 |
5 |
7 |
0 |
0.000 |
| 4 |
5 |
|
[ADP]A:601 |
24 |
1 |
546 |
f |
A |
x,y,z |
1_555 |
54 |
21 |
21553 |
337.5 |
-3.9 |
0.636 |
9 |
0 |
0 |
0.268 |
6 |
|
[ADP]B:1601 |
25 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
48 |
21 |
21721 |
334.7 |
-5.1 |
0.522 |
9 |
0 |
0 |
0.268 |
| Average: |
336.1 |
-4.5 |
0.579 |
9 |
0 |
0 |
0.268 |
| 5 |
7 |
|
B |
37 |
10 |
21721 |
◊ |
A |
-x,-y,z |
2_555 |
35 |
9 |
21553 |
301.9 |
-3.0 |
0.269 |
1 |
0 |
0 |
0.036 |
| 6 |
8 |
|
B |
28 |
8 |
21721 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
7 |
21553 |
199.8 |
-0.4 |
0.542 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[CTP]B:1602 |
18 |
1 |
613 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
21553 |
181.9 |
1.2 |
0.771 |
10 |
0 |
0 |
0.118 |
10 |
|
[CTP]A:602 |
18 |
1 |
610 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
21721 |
180.6 |
0.6 |
0.749 |
11 |
0 |
0 |
0.118 |
| Average: |
181.2 |
0.9 |
0.760 |
11 |
0 |
0 |
0.118 |
| 8 |
11 |
|
[CTP]A:602 |
21 |
1 |
610 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
21553 |
180.1 |
-0.7 |
0.623 |
3 |
0 |
0 |
0.072 |
12 |
|
[CTP]B:1602 |
19 |
1 |
613 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
21721 |
180.1 |
-0.8 |
0.628 |
4 |
0 |
0 |
0.072 |
| Average: |
180.1 |
-0.7 |
0.626 |
4 |
0 |
0 |
0.072 |
| 9 |
13 |
|
[CTP]A:602 |
13 |
1 |
610 |
◊ |
A |
-x,-y,z |
2_555 |
15 |
3 |
21553 |
108.4 |
-1.0 |
0.438 |
2 |
0 |
0 |
0.036 |
14 |
|
[CTP]B:1602 |
14 |
1 |
613 |
◊ |
B |
-x,-y,z |
2_555 |
15 |
3 |
21721 |
105.9 |
-0.7 |
0.458 |
2 |
0 |
0 |
0.036 |
| Average: |
107.1 |
-0.8 |
0.448 |
2 |
0 |
0 |
0.036 |
| 10 |
15 |
|
[ADP]A:601 |
8 |
1 |
546 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
21721 |
49.9 |
-0.5 |
0.299 |
0 |
0 |
0 |
0.017 |
16 |
|
[ADP]B:1601 |
6 |
1 |
558 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
21553 |
48.9 |
-0.6 |
0.268 |
0 |
0 |
0 |
0.017 |
| Average: |
49.4 |
-0.5 |
0.284 |
0 |
0 |
0 |
0.017 |
| 11 |
17 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21553 |
42.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.217 |
18 |
|
[MG]B:1701 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
21721 |
41.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.217 |
| Average: |
41.9 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.217 |
| 12 |
19 |
|
[ADP]B:1601 |
5 |
1 |
558 |
f |
[MG]B:1701 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.140 |
20 |
|
[ADP]A:601 |
5 |
1 |
546 |
f |
[MG]A:701 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.140 |
| Average: |
29.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.140 |
|