| ## |
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 |
|
A |
51 |
9 |
57804 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
40 |
5 |
57804 |
361.4 |
-4.2 |
0.928 |
2 |
0 |
0 |
0.000 |
2 |
|
A |
35 |
8 |
57804 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
39 |
8 |
57804 |
282.9 |
-12.3 |
0.545 |
3 |
0 |
0 |
0.000 |
3 |
|
A |
37 |
5 |
57804 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
26 |
3 |
57804 |
237.9 |
-1.7 |
0.921 |
2 |
0 |
0 |
0.000 |
4 |
|
[EPE]A:455 |
14 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
35 |
8 |
57804 |
219.9 |
-0.2 |
0.124 |
1 |
0 |
0 |
0.000 |
5 |
|
[BA]A:439 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
57804 |
151.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.001 |
6 |
|
[BA]A:408 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
57804 |
138.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.001 |
7 |
|
[BA]A:407 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
57804 |
138.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.001 |
8 |
|
[BA]A:435 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
57804 |
133.7 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.001 |
9 |
|
[BA]A:422 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
57804 |
130.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.001 |
10 |
|
[BA]A:430 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
57804 |
129.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.001 |
11 |
|
[BA]A:419 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
26 |
6 |
57804 |
128.2 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.001 |
12 |
|
[BA]A:425 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
57804 |
126.9 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.001 |
13 |
|
[BA]A:446 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
57804 |
125.9 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.001 |
14 |
|
[BA]A:410 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
57804 |
125.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.001 |
15 |
|
[BA]A:434 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
57804 |
125.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.001 |
16 |
|
[BA]A:412 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
57804 |
124.6 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.001 |
17 |
|
[BA]A:443 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
57804 |
122.1 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.001 |
18 |
|
[K]A:448 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
57804 |
120.6 |
-79.0 |
0.000 |
0 |
0 |
0 |
0.010 |
19 |
|
[BA]A:441 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
57804 |
120.2 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.001 |
20 |
|
[BA]A:437 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
5 |
57804 |
120.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.001 |
21 |
|
[BA]A:436 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
57804 |
119.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.001 |
22 |
|
[BA]A:442 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
57804 |
119.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.001 |
23 |
|
[BA]A:438 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
57804 |
119.1 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.001 |
24 |
|
[BA]A:421 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
57804 |
119.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.001 |
25 |
|
[BA]A:428 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
57804 |
118.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.001 |
26 |
|
[BA]A:418 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
57804 |
114.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
|
[BA]A:413 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
57804 |
114.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.001 |
28 |
|
[BA]A:417 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
57804 |
112.3 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.001 |
29 |
|
[BA]A:409 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
57804 |
112.1 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.001 |
30 |
|
[EPE]A:456 |
5 |
1 |
203 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
57804 |
112.1 |
0.4 |
0.406 |
2 |
0 |
0 |
0.000 |
31 |
|
[K]A:449 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
57804 |
110.3 |
-76.4 |
0.000 |
0 |
0 |
0 |
0.009 |
32 |
|
[BA]A:424 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
57804 |
108.9 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.001 |
33 |
|
[BA]A:414 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
57804 |
108.9 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.001 |
34 |
|
[BA]A:420 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
57804 |
105.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.001 |
35 |
|
[BA]A:416 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
57804 |
104.9 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.001 |
36 |
|
[K]A:454 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
57804 |
104.8 |
-71.9 |
0.000 |
0 |
0 |
0 |
0.009 |
37 |
|
[EPE]A:452 |
5 |
1 |
204 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
57804 |
104.6 |
-1.4 |
0.346 |
1 |
0 |
0 |
0.000 |
38 |
|
[BA]A:427 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
57804 |
104.2 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.001 |
39 |
|
[K]A:457 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
57804 |
103.8 |
-63.4 |
0.000 |
0 |
0 |
0 |
0.008 |
40 |
|
[BA]A:426 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
57804 |
103.6 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.001 |
41 |
|
[BA]A:415 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
57804 |
102.4 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[BA]A:429 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
57804 |
100.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.001 |
43 |
|
[BA]A:423 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
57804 |
98.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[BA]A:411 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
57804 |
97.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.001 |
45 |
|
[BA]A:432 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
57804 |
97.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[BA]A:444 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
57804 |
95.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[BA]A:433 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
4 |
57804 |
94.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[EPE]A:450 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
57804 |
89.8 |
-0.8 |
0.748 |
0 |
0 |
0 |
0.000 |
49 |
|
[BA]A:431 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
57804 |
88.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[EPE]A:453 |
5 |
1 |
202 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
57804 |
86.6 |
-0.6 |
0.269 |
0 |
0 |
0 |
0.000 |
51 |
|
[BA]A:440 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
57804 |
86.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[BA]A:406 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
57804 |
85.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[BA]A:445 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
57804 |
82.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
|
[EPE]A:451 |
4 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
57804 |
82.3 |
-2.6 |
0.542 |
0 |
0 |
0 |
0.000 |
55 |
|
[BA]A:447 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
57804 |
79.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
12 |
4 |
57804 |
◊ |
[BA]A:445 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
216 |
68.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[K]A:454 |
1 |
1 |
216 |
f |
[BA]A:426 |
x,y,z |
1_555 |
1 |
1 |
216 |
56.5 |
-31.0 |
0.000 |
0 |
0 |
0 |
0.004 |
58 |
|
[MG]A:404 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
57804 |
55.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
[MG]A:405 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
57804 |
51.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
|
[K]A:449 |
1 |
1 |
216 |
f |
[BA]A:414 |
x,y,z |
1_555 |
1 |
1 |
216 |
49.8 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.003 |
61 |
|
[BA]A:436 |
1 |
1 |
216 |
f |
[BA]A:406 |
x,y,z |
1_555 |
1 |
1 |
216 |
47.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
A |
8 |
2 |
57804 |
◊ |
[BA]A:433 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
216 |
46.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
57804 |
45.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
|
[BA]A:438 |
1 |
1 |
216 |
f |
[BA]A:409 |
x,y,z |
1_555 |
1 |
1 |
216 |
45.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
57804 |
45.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
[EPE]A:450 |
4 |
1 |
172 |
f |
[BA]A:415 |
x,y,z |
1_555 |
1 |
1 |
216 |
43.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[BA]A:444 |
1 |
1 |
216 |
f |
[BA]A:429 |
x,y,z |
1_555 |
1 |
1 |
216 |
43.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
57804 |
34.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[BA]A:427 |
1 |
1 |
216 |
f |
[BA]A:406 |
x,y,z |
1_555 |
1 |
1 |
216 |
33.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[BA]A:446 |
1 |
1 |
216 |
f |
[BA]A:430 |
x,y,z |
1_555 |
1 |
1 |
216 |
25.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
|
[BA]A:443 |
1 |
1 |
216 |
f |
[BA]A:416 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[BA]A:436 |
1 |
1 |
216 |
f |
[BA]A:427 |
x,y,z |
1_555 |
1 |
1 |
216 |
19.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[BA]A:424 |
1 |
1 |
216 |
f |
[BA]A:420 |
x,y,z |
1_555 |
1 |
1 |
216 |
19.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
|
[BA]A:439 |
1 |
1 |
216 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
|
[EPE]A:451 |
2 |
1 |
173 |
f |
[K]A:454 |
x,y,z |
1_555 |
1 |
1 |
216 |
18.4 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.001 |
76 |
|
[BA]A:440 |
1 |
1 |
216 |
f |
[BA]A:435 |
x,y,z |
1_555 |
1 |
1 |
216 |
17.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
|
[K]A:457 |
1 |
1 |
216 |
f |
[BA]A:430 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[BA]A:422 |
1 |
1 |
216 |
f |
[BA]A:411 |
x,y,z |
1_555 |
1 |
1 |
216 |
3.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|