| ## |
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 |
90 |
24 |
5007 |
◊ |
A |
x,y,z |
1_555 |
103 |
26 |
9016 |
902.3 |
-1.8 |
0.537 |
13 |
6 |
0 |
0.327 |
| 2 |
2 |
|
A |
48 |
12 |
9016 |
x |
A |
x,y-1,z |
1_545 |
49 |
15 |
9016 |
465.9 |
-1.5 |
0.379 |
7 |
6 |
0 |
0.000 |
| 3 |
3 |
|
A |
39 |
12 |
9016 |
x |
A |
x-1,y,z |
1_455 |
39 |
12 |
9016 |
344.8 |
2.1 |
0.700 |
6 |
7 |
0 |
0.000 |
| 4 |
4 |
|
A |
24 |
6 |
9016 |
◊ |
B |
x-1,y,z+1 |
1_456 |
25 |
9 |
5007 |
212.9 |
-2.5 |
0.285 |
3 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
23 |
6 |
9016 |
x |
A |
x-1,y+1,z |
1_465 |
27 |
8 |
9016 |
212.8 |
-0.3 |
0.499 |
1 |
0 |
0 |
0.000 |
| 6 |
6 |
|
B |
25 |
6 |
5007 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
7 |
9016 |
191.8 |
-1.3 |
0.428 |
2 |
0 |
0 |
0.000 |
| 7 |
7 |
|
B |
22 |
8 |
5007 |
◊ |
A |
x,y-1,z |
1_545 |
19 |
9 |
9016 |
186.2 |
-2.6 |
0.201 |
0 |
0 |
0 |
0.000 |
| 8 |
8 |
|
B |
14 |
4 |
5007 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
3 |
9016 |
112.3 |
-3.0 |
0.091 |
0 |
1 |
0 |
0.000 |
| 9 |
9 |
|
[IOD]B:402 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
5007 |
94.3 |
0.1 |
0.780 |
0 |
0 |
0 |
0.000 |
| 10 |
10 |
|
[IOD]A:405 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
9016 |
82.9 |
-0.3 |
0.635 |
0 |
0 |
0 |
0.011 |
| 11 |
11 |
|
[IOD]A:404 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
9016 |
82.5 |
-0.7 |
0.481 |
0 |
0 |
0 |
0.029 |
| 12 |
12 |
|
[IOD]A:406 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
9016 |
82.4 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
[IOD]A:418 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9016 |
79.1 |
-0.4 |
0.559 |
0 |
0 |
0 |
0.015 |
| 14 |
14 |
|
[IOD]A:401 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9016 |
76.1 |
-0.1 |
0.655 |
0 |
0 |
0 |
0.004 |
| 15 |
15 |
|
[IOD]A:408 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9016 |
75.0 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
| 16 |
16 |
|
[IOD]A:407 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
9016 |
74.3 |
0.3 |
0.749 |
0 |
0 |
0 |
0.000 |
| 17 |
17 |
|
[IOD]A:409 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
9016 |
72.8 |
0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[PO4]A:450 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9016 |
70.1 |
-3.7 |
0.783 |
4 |
0 |
0 |
0.211 |
| 19 |
19 |
|
[IOD]A:411 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9016 |
69.5 |
0.5 |
0.821 |
0 |
0 |
0 |
0.000 |
| 20 |
20 |
|
[IOD]A:410 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
9016 |
69.3 |
-0.3 |
0.620 |
0 |
0 |
0 |
0.011 |
| 21 |
21 |
|
[PO4]A:450 |
5 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
5007 |
69.0 |
-3.0 |
0.855 |
2 |
0 |
0 |
0.151 |
| 22 |
22 |
|
[IOD]A:414 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
9016 |
67.0 |
-0.3 |
0.635 |
0 |
0 |
0 |
0.010 |
| 23 |
23 |
|
B |
11 |
3 |
5007 |
◊ |
[IOD]A:417 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
63.0 |
-0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
| 24 |
24 |
|
[IOD]A:403 |
1 |
1 |
144 |
f |
B |
x-1,y,z+1 |
1_456 |
13 |
9 |
5007 |
60.2 |
-0.7 |
0.582 |
0 |
0 |
0 |
0.089 |
| 25 |
25 |
|
[IOD]A:416 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
9016 |
55.7 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
| 26 |
26 |
|
[IOD]A:410 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
5007 |
52.8 |
0.6 |
0.898 |
0 |
0 |
0 |
0.000 |
| 27 |
27 |
|
[IOD]A:412 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
9016 |
52.1 |
0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
| 28 |
28 |
|
B |
9 |
4 |
5007 |
f |
[IOD]A:412 |
x,y-1,z |
1_545 |
1 |
1 |
144 |
52.1 |
-0.3 |
0.656 |
0 |
0 |
0 |
0.040 |
| 29 |
29 |
|
[IOD]A:413 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
9016 |
51.5 |
0.4 |
0.828 |
0 |
0 |
0 |
0.000 |
| 30 |
30 |
|
[IOD]A:417 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
9016 |
44.1 |
-0.4 |
0.457 |
0 |
0 |
0 |
0.017 |
| 31 |
31 |
|
[IOD]A:415 |
1 |
1 |
144 |
◊ |
B |
x-1,y,z+1 |
1_456 |
6 |
4 |
5007 |
43.7 |
-0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
| 32 |
32 |
|
[IOD]A:413 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
5007 |
40.7 |
-0.2 |
0.709 |
0 |
0 |
0 |
0.008 |
| 33 |
33 |
|
[IOD]A:403 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9016 |
39.4 |
-0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
34 |
|
[IOD]A:415 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
9016 |
33.2 |
-0.5 |
0.462 |
0 |
0 |
0 |
0.000 |
| Average: |
36.3 |
-0.3 |
0.553 |
0 |
0 |
0 |
0.000 |
| 34 |
35 |
|
[IOD]A:416 |
1 |
1 |
144 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
4 |
9016 |
38.1 |
0.9 |
0.936 |
0 |
0 |
0 |
0.000 |
| 35 |
36 |
|
[IOD]A:415 |
1 |
1 |
144 |
f |
A |
x-1,y,z |
1_455 |
7 |
2 |
9016 |
33.8 |
-0.3 |
0.625 |
0 |
0 |
0 |
0.010 |
| 36 |
37 |
|
[PO4]A:450 |
4 |
1 |
189 |
f |
[IOD]A:413 |
x,y,z |
1_555 |
1 |
1 |
144 |
32.0 |
-1.3 |
0.986 |
0 |
0 |
0 |
0.052 |
| 37 |
38 |
|
B |
4 |
2 |
5007 |
f |
[IOD]A:411 |
x,y-1,z |
1_545 |
1 |
1 |
144 |
30.8 |
0.1 |
0.805 |
0 |
0 |
0 |
0.000 |
| 38 |
39 |
|
[IOD]A:415 |
1 |
1 |
144 |
◊ |
[IOD]A:403 |
x,y,z |
1_555 |
1 |
1 |
144 |
30.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[IOD]A:418 |
1 |
1 |
144 |
◊ |
B |
x-1,y,z+1 |
1_456 |
4 |
1 |
5007 |
27.4 |
-0.2 |
0.635 |
0 |
0 |
0 |
0.000 |
| 40 |
41 |
|
[IOD]A:412 |
1 |
1 |
144 |
f |
[IOD]A:411 |
x,y,z |
1_555 |
1 |
1 |
144 |
19.4 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 41 |
42 |
|
[IOD]B:402 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9016 |
18.9 |
-0.3 |
0.461 |
0 |
0 |
0 |
0.010 |
| 42 |
43 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9016 |
10.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.188 |
| 43 |
44 |
|
[IOD]A:418 |
1 |
1 |
144 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
9016 |
9.2 |
0.1 |
0.897 |
0 |
0 |
0 |
0.000 |
| 44 |
45 |
|
[ZN]B:301 |
1 |
1 |
98 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
9016 |
8.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
46 |
|
B |
1 |
1 |
5007 |
◊ |
[IOD]A:401 |
x,y-1,z |
1_545 |
1 |
1 |
144 |
6.0 |
0.1 |
0.877 |
0 |
0 |
0 |
0.000 |
| 46 |
47 |
|
[IOD]A:403 |
1 |
1 |
144 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
9016 |
3.3 |
-0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
| 47 |
48 |
|
[IOD]A:407 |
1 |
1 |
144 |
f |
[IOD]A:405 |
x,y,z |
1_555 |
1 |
1 |
144 |
2.3 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 48 |
49 |
|
[ZN]B:302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
9016 |
0.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
|