| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
H |
89 |
26 |
10577 |
◊ |
A |
x,y,z |
1_555 |
83 |
23 |
14158 |
861.8 |
-4.2 |
0.591 |
12 |
6 |
0 |
0.015 |
2 |
|
[OLB]A:404 |
25 |
1 |
703 |
◊ |
A |
x,y,z |
1_555 |
62 |
22 |
14158 |
435.7 |
-0.3 |
0.644 |
0 |
0 |
0 |
0.000 |
3 |
|
[OLA]A:402 |
20 |
1 |
599 |
f |
A |
x,y,z |
1_555 |
81 |
26 |
14158 |
423.9 |
1.2 |
0.666 |
0 |
0 |
0 |
0.000 |
4 |
|
[OLB]A:410 |
23 |
1 |
712 |
f |
A |
x,y,z |
1_555 |
50 |
19 |
14158 |
394.5 |
-5.6 |
0.375 |
0 |
0 |
0 |
0.010 |
5 |
|
H |
36 |
14 |
10577 |
◊ |
H |
-x+1,y,-z |
2_655 |
34 |
13 |
10577 |
354.0 |
-0.8 |
0.603 |
14 |
0 |
0 |
0.000 |
6 |
|
[OLB]A:407 |
24 |
1 |
720 |
f |
A |
x,y,z |
1_555 |
40 |
11 |
14158 |
322.9 |
-2.2 |
0.444 |
0 |
0 |
0 |
0.004 |
7 |
|
[OLB]A:406 |
21 |
1 |
690 |
f |
A |
x,y,z |
1_555 |
38 |
13 |
14158 |
270.7 |
-3.3 |
0.317 |
3 |
0 |
0 |
0.008 |
8 |
|
[OLB]A:412 |
22 |
1 |
696 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
14158 |
269.9 |
-2.2 |
0.459 |
0 |
0 |
0 |
0.004 |
9 |
|
[OLB]A:408 |
21 |
1 |
722 |
◊ |
A |
x-1/2,-y,-z-1/2 |
4_454 |
34 |
12 |
14158 |
269.0 |
-0.9 |
0.465 |
0 |
0 |
0 |
0.000 |
10 |
|
[OLB]A:409 |
23 |
1 |
694 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
14158 |
261.2 |
-2.0 |
0.384 |
0 |
0 |
0 |
0.003 |
11 |
|
[OLB]A:411 |
22 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
31 |
9 |
14158 |
259.9 |
-2.0 |
0.381 |
0 |
0 |
0 |
0.003 |
12 |
|
[OLB]A:405 |
22 |
1 |
718 |
f |
A |
x,y,z |
1_555 |
28 |
9 |
14158 |
230.4 |
-0.3 |
0.474 |
2 |
0 |
0 |
0.002 |
13 |
|
[OLB]H:302 |
19 |
1 |
697 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
14158 |
220.6 |
0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
14 |
|
[OLB]A:403 |
20 |
1 |
680 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
14158 |
214.8 |
-1.9 |
0.177 |
0 |
0 |
0 |
0.003 |
15 |
|
H |
18 |
8 |
10577 |
x |
H |
x-1/2,-y-1,-z-1/2 |
4_444 |
23 |
8 |
10577 |
196.1 |
0.9 |
0.744 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
18 |
6 |
14158 |
◊ |
H |
x-1/2,-y-1,-z-1/2 |
4_444 |
20 |
5 |
10577 |
184.3 |
-3.3 |
0.265 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
22 |
7 |
14158 |
◊ |
[OLB]H:301 |
x-1/2,-y,-z-1/2 |
4_454 |
18 |
1 |
711 |
182.7 |
-0.2 |
0.444 |
0 |
0 |
0 |
0.000 |
18 |
|
[OLB]H:301 |
19 |
1 |
711 |
f |
A |
x,y,z |
1_555 |
29 |
9 |
14158 |
181.6 |
-0.0 |
0.557 |
3 |
0 |
0 |
0.002 |
19 |
|
A |
23 |
9 |
14158 |
◊ |
[OLB]A:411 |
x-1/2,-y,-z-1/2 |
4_454 |
14 |
1 |
661 |
177.9 |
3.4 |
0.782 |
2 |
0 |
0 |
0.000 |
20 |
|
A |
21 |
10 |
14158 |
◊ |
[OLB]A:406 |
x-1/2,-y,-z-1/2 |
4_454 |
17 |
1 |
690 |
160.6 |
3.0 |
0.635 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
25 |
12 |
14158 |
x |
A |
x-1/2,-y,-z-1/2 |
4_454 |
23 |
6 |
14158 |
157.9 |
-3.8 |
0.449 |
0 |
0 |
0 |
0.000 |
22 |
|
[OLB]A:405 |
17 |
1 |
718 |
◊ |
A |
x-1/2,-y,-z-1/2 |
4_454 |
18 |
6 |
14158 |
146.0 |
-1.7 |
0.360 |
0 |
0 |
0 |
0.000 |
23 |
|
H |
12 |
5 |
10577 |
◊ |
A |
x,y-1,z |
1_545 |
20 |
7 |
14158 |
144.3 |
-0.5 |
0.766 |
4 |
0 |
0 |
0.000 |
24 |
|
[OLB]A:408 |
16 |
1 |
722 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
14158 |
127.6 |
0.5 |
0.488 |
0 |
0 |
0 |
0.000 |
25 |
|
[OLB]A:411 |
14 |
1 |
661 |
f |
[OLB]A:406 |
x,y,z |
1_555 |
19 |
1 |
690 |
118.3 |
0.3 |
0.260 |
0 |
0 |
0 |
0.000 |
26 |
|
[OLB]H:302 |
10 |
1 |
697 |
◊ |
[OLB]A:403 |
x,y,z |
1_555 |
10 |
1 |
680 |
114.8 |
3.8 |
0.579 |
0 |
0 |
0 |
0.000 |
27 |
|
[OLB]A:408 |
13 |
1 |
722 |
◊ |
[OLB]H:301 |
x-1/2,-y,-z-1/2 |
4_454 |
10 |
1 |
711 |
100.2 |
0.7 |
0.383 |
0 |
0 |
0 |
0.000 |
28 |
|
[OLB]A:405 |
11 |
1 |
718 |
◊ |
[OLB]A:406 |
x-1/2,-y,-z-1/2 |
4_454 |
12 |
1 |
690 |
100.2 |
-0.9 |
0.263 |
0 |
0 |
0 |
0.000 |
29 |
|
[OLB]H:301 |
9 |
1 |
711 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
10577 |
97.6 |
-0.0 |
0.457 |
3 |
0 |
0 |
0.002 |
30 |
|
[OLB]A:412 |
10 |
1 |
696 |
f |
[OLB]A:405 |
x,y,z |
1_555 |
12 |
1 |
718 |
92.9 |
4.0 |
0.601 |
0 |
0 |
0 |
0.000 |
31 |
|
[OLB]A:405 |
9 |
1 |
718 |
◊ |
[OLB]A:407 |
x-1/2,-y,-z-1/2 |
4_454 |
7 |
1 |
720 |
71.3 |
0.5 |
0.366 |
0 |
0 |
0 |
0.000 |
32 |
|
[OLB]A:410 |
7 |
1 |
712 |
f |
[OLB]A:409 |
x,y,z |
1_555 |
7 |
1 |
694 |
71.2 |
1.7 |
0.494 |
0 |
0 |
0 |
0.000 |
33 |
|
[OLB]A:404 |
6 |
1 |
703 |
◊ |
[OLB]H:302 |
x-1/2,-y,-z-1/2 |
4_454 |
6 |
1 |
697 |
61.8 |
-0.0 |
0.349 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
7 |
1 |
14158 |
f |
[OLB]H:302 |
x-1/2,-y,-z-1/2 |
4_454 |
7 |
1 |
697 |
54.8 |
-1.8 |
0.254 |
0 |
0 |
0 |
0.003 |
35 |
|
[OLB]A:408 |
2 |
1 |
722 |
◊ |
[OLB]A:403 |
x-1/2,-y,-z-1/2 |
4_454 |
2 |
1 |
680 |
48.0 |
-1.5 |
0.230 |
0 |
0 |
0 |
0.000 |
36 |
|
[OLB]H:302 |
4 |
1 |
697 |
◊ |
[OLB]H:301 |
x,y,z |
1_555 |
4 |
1 |
711 |
47.2 |
-1.4 |
0.265 |
0 |
0 |
0 |
0.000 |
37 |
|
[OLB]H:301 |
4 |
1 |
711 |
f |
[OLB]A:403 |
x,y,z |
1_555 |
6 |
1 |
680 |
43.0 |
-1.4 |
0.239 |
0 |
0 |
0 |
0.002 |
38 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14158 |
41.4 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.050 |
39 |
|
H |
2 |
1 |
10577 |
◊ |
[OLB]A:411 |
x,y-1,z |
1_545 |
3 |
1 |
661 |
33.8 |
0.9 |
0.472 |
0 |
0 |
0 |
0.000 |
40 |
|
[OLB]H:302 |
5 |
1 |
697 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
10577 |
32.1 |
2.1 |
0.730 |
0 |
0 |
0 |
0.000 |
41 |
|
[OLB]A:404 |
2 |
1 |
703 |
◊ |
[OLA]A:402 |
x,y,z |
1_555 |
2 |
1 |
599 |
28.2 |
-0.9 |
0.225 |
0 |
0 |
0 |
0.000 |
42 |
|
[OLA]A:402 |
3 |
1 |
599 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.9 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.016 |
43 |
|
[OLB]A:404 |
3 |
1 |
703 |
◊ |
[OLB]A:403 |
x-1/2,-y,-z-1/2 |
4_454 |
6 |
1 |
680 |
22.6 |
-0.4 |
0.294 |
0 |
0 |
0 |
0.000 |
44 |
|
[OLB]A:409 |
2 |
1 |
694 |
f |
[OLB]A:403 |
x,y,z |
1_555 |
2 |
1 |
680 |
17.8 |
-0.9 |
0.271 |
0 |
0 |
0 |
0.002 |
45 |
|
[OLB]A:404 |
2 |
1 |
703 |
◊ |
[OLB]H:301 |
x-1/2,-y,-z-1/2 |
4_454 |
4 |
1 |
711 |
16.3 |
0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
46 |
|
[OLB]A:411 |
1 |
1 |
661 |
f |
[OLB]A:409 |
x,y,z |
1_555 |
1 |
1 |
694 |
2.3 |
-0.2 |
0.440 |
0 |
0 |
0 |
0.000 |
47 |
|
[OLB]A:405 |
1 |
1 |
718 |
◊ |
[OLB]A:411 |
x-1/2,-y,-z-1/2 |
4_454 |
1 |
1 |
661 |
1.0 |
-0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
|