## |
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 |
337 |
92 |
21833 |
◊ |
A |
x,y,z |
1_555 |
341 |
93 |
21833 |
3319.7 |
-46.4 |
0.009 |
24 |
0 |
0 |
0.494 |
2 |
2 |
|
B |
114 |
33 |
21833 |
◊ |
A |
-x,y,-z |
2_555 |
116 |
32 |
21833 |
1107.5 |
-7.0 |
0.521 |
5 |
6 |
0 |
0.075 |
3 |
3 |
|
A |
57 |
19 |
21833 |
◊ |
A |
-x,y,-z |
2_555 |
58 |
19 |
21833 |
517.3 |
-7.7 |
0.192 |
2 |
0 |
0 |
0.063 |
4 |
|
B |
59 |
19 |
21833 |
◊ |
B |
-x,y,-z |
2_555 |
59 |
19 |
21833 |
514.7 |
-7.4 |
0.209 |
2 |
0 |
0 |
0.063 |
Average: |
516.0 |
-7.6 |
0.200 |
2 |
0 |
0 |
0.063 |
4 |
5 |
|
[ADP]B:603 |
26 |
1 |
580 |
f |
B |
x,y,z |
1_555 |
66 |
26 |
21833 |
416.3 |
-8.3 |
0.500 |
6 |
0 |
0 |
0.188 |
6 |
|
[ADP]A:603 |
27 |
1 |
581 |
f |
A |
x,y,z |
1_555 |
66 |
26 |
21833 |
415.8 |
-8.2 |
0.517 |
6 |
0 |
0 |
0.188 |
Average: |
416.0 |
-8.2 |
0.509 |
6 |
0 |
0 |
0.188 |
5 |
7 |
|
B |
36 |
11 |
21833 |
◊ |
A |
x,y-1,z |
1_545 |
35 |
11 |
21833 |
328.0 |
3.2 |
0.923 |
2 |
8 |
0 |
0.000 |
6 |
8 |
|
[TZD]B:602 |
27 |
1 |
594 |
f |
B |
x,y,z |
1_555 |
42 |
19 |
21833 |
302.3 |
-5.5 |
0.360 |
8 |
0 |
0 |
0.159 |
9 |
|
[TZD]A:602 |
27 |
1 |
594 |
f |
A |
x,y,z |
1_555 |
43 |
19 |
21833 |
301.8 |
-5.4 |
0.377 |
9 |
0 |
0 |
0.159 |
Average: |
302.1 |
-5.4 |
0.368 |
9 |
0 |
0 |
0.159 |
7 |
10 |
|
A |
24 |
8 |
21833 |
◊ |
B |
x-1/2,y-1/2,z+1/2 |
3_445 |
27 |
7 |
21833 |
198.4 |
-0.2 |
0.628 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
24 |
10 |
21833 |
◊ |
B |
-x+1,y,-z |
2_655 |
25 |
10 |
21833 |
193.7 |
-2.0 |
0.450 |
0 |
0 |
0 |
0.000 |
9 |
12 |
|
B |
24 |
10 |
21833 |
◊ |
A |
-x,y-1,-z |
2_545 |
24 |
9 |
21833 |
176.3 |
-1.0 |
0.592 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[TZD]A:602 |
14 |
1 |
594 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
21833 |
150.5 |
2.1 |
0.667 |
0 |
0 |
0 |
0.000 |
14 |
|
[TZD]B:602 |
14 |
1 |
594 |
◊ |
A |
x,y,z |
1_555 |
22 |
11 |
21833 |
149.0 |
2.1 |
0.652 |
0 |
0 |
0 |
0.000 |
Average: |
149.8 |
2.1 |
0.660 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
A |
6 |
3 |
21833 |
x |
A |
x,y-1,z |
1_545 |
6 |
2 |
21833 |
52.2 |
0.3 |
0.733 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
5 |
3 |
21833 |
x |
B |
x,y-1,z |
1_545 |
5 |
3 |
21833 |
49.2 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
Average: |
50.7 |
0.2 |
0.709 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
9 |
21833 |
36.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.105 |
18 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
21833 |
36.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
36.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.105 |
13 |
19 |
|
[TZD]B:602 |
5 |
1 |
594 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.090 |
20 |
|
[TZD]A:602 |
5 |
1 |
594 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
31.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.090 |
14 |
21 |
|
A |
4 |
2 |
21833 |
x |
A |
-x+1/2,y-1/2,-z+1/2 |
4_545 |
6 |
3 |
21833 |
31.4 |
0.7 |
0.745 |
0 |
0 |
0 |
0.000 |
|