| ## |
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 |
|
T |
62 |
7 |
3775 |
◊ |
A |
x,y,z |
1_555 |
66 |
21 |
17271 |
540.8 |
-1.0 |
0.531 |
12 |
0 |
0 |
0.043 |
2 |
|
T |
46 |
10 |
3775 |
◊ |
P |
x,y,z |
1_555 |
50 |
11 |
2575 |
467.0 |
-5.8 |
0.543 |
27 |
0 |
0 |
0.814 |
3 |
|
P |
51 |
5 |
2575 |
◊ |
A |
x,y,z |
1_555 |
63 |
28 |
17271 |
420.7 |
-7.1 |
0.310 |
10 |
0 |
0 |
0.075 |
4 |
|
D |
37 |
3 |
1378 |
◊ |
A |
x,y,z |
1_555 |
48 |
17 |
17271 |
372.2 |
-7.2 |
0.398 |
9 |
0 |
0 |
0.077 |
5 |
|
A |
30 |
9 |
17271 |
x |
A |
x,y,z-1 |
1_554 |
22 |
7 |
17271 |
222.8 |
1.6 |
0.753 |
6 |
1 |
0 |
0.000 |
6 |
|
A |
30 |
9 |
17271 |
◊ |
P |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
2 |
2575 |
211.6 |
1.7 |
0.517 |
1 |
0 |
0 |
0.000 |
7 |
|
A |
25 |
8 |
17271 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
17271 |
205.6 |
1.7 |
0.763 |
1 |
2 |
0 |
0.000 |
8 |
|
A |
26 |
8 |
17271 |
◊ |
T |
x-1,y,z |
1_455 |
16 |
2 |
3775 |
204.0 |
0.1 |
0.527 |
6 |
0 |
0 |
0.000 |
9 |
|
[8OG]T:6 |
21 |
1 |
488 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
17271 |
200.2 |
-1.3 |
0.328 |
1 |
0 |
0 |
0.012 |
10 |
|
T |
19 |
4 |
3775 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
1378 |
199.5 |
-2.9 |
0.520 |
12 |
0 |
0 |
0.738 |
11 |
|
A |
27 |
11 |
17271 |
◊ |
T |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
4 |
3775 |
198.6 |
0.6 |
0.637 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
19 |
7 |
17271 |
x |
A |
-x,y-1/2,-z |
2_545 |
27 |
9 |
17271 |
189.5 |
-2.0 |
0.289 |
0 |
0 |
0 |
0.000 |
13 |
|
[DCP]A:414 |
25 |
1 |
542 |
f |
A |
x,y,z |
1_555 |
41 |
16 |
17271 |
181.8 |
0.4 |
0.563 |
8 |
0 |
0 |
0.022 |
14 |
|
[8OG]T:6 |
21 |
1 |
488 |
cf |
T |
x,y,z |
1_555 |
23 |
2 |
3775 |
164.3 |
2.4 |
0.616 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
25 |
6 |
17271 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
12 |
3 |
17271 |
161.6 |
-2.8 |
0.116 |
0 |
0 |
0 |
0.000 |
16 |
|
A |
17 |
7 |
17271 |
x |
A |
x-1,y,z |
1_455 |
18 |
8 |
17271 |
149.6 |
3.4 |
0.898 |
2 |
2 |
0 |
0.000 |
17 |
|
A |
16 |
6 |
17271 |
f |
[DCP]T:101 |
x-1,y,z |
1_455 |
14 |
1 |
588 |
147.3 |
-1.6 |
0.405 |
3 |
0 |
0 |
0.020 |
18 |
|
D |
16 |
2 |
1378 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
5 |
17271 |
142.9 |
-0.6 |
0.513 |
0 |
0 |
0 |
0.000 |
19 |
|
[DCP]T:101 |
16 |
1 |
588 |
◊ |
A |
x,y,z-1 |
1_554 |
16 |
5 |
17271 |
122.3 |
-0.6 |
0.515 |
2 |
0 |
0 |
0.000 |
20 |
|
[DCP]A:414 |
20 |
1 |
542 |
◊ |
P |
x,y,z |
1_555 |
19 |
2 |
2575 |
118.1 |
0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
21 |
|
[DCP]T:101 |
12 |
1 |
588 |
◊ |
T |
x,y,z |
1_555 |
16 |
1 |
3775 |
96.4 |
3.0 |
0.740 |
0 |
0 |
0 |
0.000 |
22 |
|
[ACT]A:412 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
17271 |
89.2 |
-0.2 |
0.657 |
0 |
0 |
0 |
0.001 |
23 |
|
[PPV]A:413 |
9 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
17271 |
83.6 |
-2.9 |
0.619 |
7 |
0 |
0 |
0.041 |
24 |
|
A |
8 |
4 |
17271 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
10 |
5 |
17271 |
78.9 |
-0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
25 |
|
[CL]A:409 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
17271 |
76.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.083 |
26 |
|
[DCP]A:414 |
11 |
1 |
542 |
f |
[PPV]A:413 |
x,y,z |
1_555 |
9 |
1 |
256 |
72.5 |
-2.5 |
0.457 |
0 |
0 |
0 |
0.017 |
27 |
|
[DCP]T:101 |
5 |
1 |
588 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
1378 |
69.3 |
-0.4 |
0.555 |
4 |
0 |
0 |
0.000 |
28 |
|
[CL]A:410 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
17271 |
67.4 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.064 |
29 |
|
[CL]A:411 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17271 |
63.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.067 |
30 |
|
A |
5 |
2 |
17271 |
◊ |
T |
-x+1,y-1/2,-z |
2_645 |
9 |
3 |
3775 |
63.7 |
0.5 |
0.668 |
1 |
0 |
0 |
0.000 |
31 |
|
[ACT]T:103 |
4 |
1 |
182 |
◊ |
T |
x,y,z |
1_555 |
8 |
4 |
3775 |
61.4 |
0.4 |
0.683 |
0 |
0 |
0 |
0.000 |
32 |
|
[ACT]T:103 |
4 |
1 |
182 |
f |
P |
x,y,z |
1_555 |
8 |
4 |
2575 |
60.7 |
-0.4 |
0.616 |
0 |
0 |
0 |
0.100 |
33 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17271 |
60.6 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.060 |
34 |
|
[NA]A:407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17271 |
57.5 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.060 |
35 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17271 |
57.1 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.060 |
36 |
|
[NA]D:101 |
1 |
1 |
125 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
6 |
17271 |
48.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
|
[NA]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
17271 |
48.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.040 |
38 |
|
[DCP]T:101 |
5 |
1 |
588 |
f |
[NA]D:101 |
x,y,z |
1_555 |
1 |
1 |
125 |
48.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.043 |
39 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
17271 |
48.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.038 |
40 |
|
A |
5 |
2 |
17271 |
◊ |
P |
x-1,y,z |
1_455 |
7 |
2 |
2575 |
48.3 |
-2.6 |
0.303 |
1 |
0 |
0 |
0.000 |
41 |
|
[NA]A:406 |
1 |
1 |
125 |
f |
[DCP]T:101 |
x-1,y,z |
1_455 |
7 |
1 |
588 |
46.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.045 |
42 |
|
[NA]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17271 |
46.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.037 |
43 |
|
[8OG]T:6 |
5 |
1 |
488 |
◊ |
P |
x,y,z |
1_555 |
8 |
2 |
2575 |
39.9 |
0.1 |
0.488 |
3 |
0 |
0 |
0.055 |
44 |
|
[8OG]T:6 |
5 |
1 |
488 |
◊ |
[DCP]A:414 |
x,y,z |
1_555 |
4 |
1 |
542 |
39.7 |
0.7 |
0.534 |
3 |
0 |
0 |
0.004 |
45 |
|
[NA]A:405 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
17271 |
38.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[NA]T:102 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
5 |
1 |
3775 |
37.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.474 |
47 |
|
A |
5 |
2 |
17271 |
◊ |
[NA]T:102 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
37.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[NA]T:102 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
17271 |
35.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.028 |
49 |
|
[NA]A:407 |
1 |
1 |
125 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
2575 |
35.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.033 |
50 |
|
[NA]A:404 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
1378 |
34.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.034 |
51 |
|
[PPV]A:413 |
5 |
1 |
256 |
◊ |
P |
x,y,z |
1_555 |
8 |
1 |
2575 |
32.5 |
-1.2 |
0.570 |
0 |
0 |
0 |
0.008 |
52 |
|
[DCP]A:414 |
10 |
1 |
542 |
f |
[MG]P:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.032 |
53 |
|
[8OG]T:6 |
4 |
1 |
488 |
◊ |
[ACT]A:412 |
x,y,z |
1_555 |
2 |
1 |
184 |
28.9 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
54 |
|
[DCP]A:414 |
5 |
1 |
542 |
◊ |
T |
x,y,z |
1_555 |
5 |
1 |
3775 |
28.7 |
0.2 |
0.544 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
6 |
2 |
17271 |
◊ |
[NA]A:403 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
26.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
17271 |
24.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.027 |
57 |
|
[MG]A:401 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
7 |
2 |
2575 |
24.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.021 |
58 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
17271 |
21.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.019 |
59 |
|
[DCP]A:414 |
5 |
1 |
542 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.022 |
60 |
|
[PPV]A:413 |
3 |
1 |
256 |
f |
[MG]P:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.016 |
61 |
|
[MG]P:101 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
7 |
1 |
2575 |
19.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.019 |
62 |
|
[DCP]A:414 |
4 |
1 |
542 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.017 |
63 |
|
[PPV]A:413 |
4 |
1 |
256 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.015 |
64 |
|
[CL]A:408 |
1 |
1 |
125 |
◊ |
T |
x,y,z |
1_555 |
3 |
2 |
3775 |
16.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.014 |
65 |
|
[CL]A:411 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
1378 |
15.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.012 |
66 |
|
[DCP]A:414 |
3 |
1 |
542 |
f |
[ACT]A:412 |
x,y,z |
1_555 |
2 |
1 |
184 |
14.3 |
-0.2 |
0.481 |
0 |
0 |
0 |
0.002 |
67 |
|
[MG]A:402 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
2575 |
13.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.013 |
68 |
|
[ACT]A:412 |
1 |
1 |
184 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
2575 |
10.5 |
-0.0 |
0.549 |
0 |
0 |
0 |
0.000 |
69 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.011 |
70 |
|
A |
2 |
2 |
17271 |
◊ |
P |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
2575 |
6.7 |
-0.4 |
0.397 |
0 |
0 |
0 |
0.000 |
71 |
|
[NA]A:406 |
1 |
1 |
125 |
f |
[NA]D:101 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
6.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.009 |
72 |
|
[CL]A:410 |
1 |
1 |
125 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
3775 |
5.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
73 |
|
[CL]A:411 |
1 |
1 |
125 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
3775 |
4.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
74 |
|
[MG]P:101 |
1 |
1 |
98 |
f |
[MG]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.005 |
75 |
|
[ACT]A:412 |
1 |
1 |
184 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
3775 |
3.0 |
-0.2 |
0.296 |
0 |
0 |
0 |
0.002 |
76 |
|
[PPV]A:413 |
4 |
1 |
256 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.7 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
77 |
|
A |
1 |
1 |
17271 |
◊ |
[CL]A:408 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[MG]P:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
17271 |
1.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
79 |
|
[MG]P:101 |
1 |
1 |
98 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|