## |
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 |
|
D |
182 |
43 |
9767 |
◊ |
A |
x,y,z |
1_555 |
173 |
46 |
9464 |
1625.9 |
-29.3 |
0.015 |
5 |
5 |
0 |
1.000 |
2 |
|
C |
172 |
45 |
9505 |
◊ |
B |
x,y,z |
1_555 |
174 |
42 |
9515 |
1602.4 |
-30.2 |
0.009 |
8 |
4 |
0 |
1.000 |
Average: |
1614.2 |
-29.7 |
0.012 |
7 |
5 |
0 |
1.000 |
2 |
3 |
|
C |
117 |
33 |
9505 |
◊ |
A |
x,y,z |
1_555 |
119 |
33 |
9464 |
1118.9 |
-8.8 |
0.463 |
21 |
0 |
0 |
0.890 |
4 |
|
D |
119 |
33 |
9767 |
◊ |
B |
x,y,z |
1_555 |
121 |
33 |
9515 |
1115.9 |
-8.8 |
0.440 |
20 |
0 |
0 |
0.890 |
Average: |
1117.4 |
-8.8 |
0.452 |
21 |
0 |
0 |
0.890 |
3 |
5 |
|
B |
75 |
22 |
9515 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
9464 |
621.0 |
-7.1 |
0.329 |
10 |
0 |
0 |
0.192 |
6 |
|
D |
73 |
22 |
9767 |
◊ |
C |
x,y,z |
1_555 |
76 |
22 |
9505 |
600.3 |
-7.4 |
0.312 |
10 |
0 |
0 |
0.192 |
Average: |
610.6 |
-7.3 |
0.321 |
10 |
0 |
0 |
0.192 |
4 |
7 |
|
B |
29 |
10 |
9515 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
55 |
16 |
9464 |
368.0 |
1.5 |
0.845 |
5 |
0 |
0 |
0.000 |
5 |
8 |
|
D |
46 |
15 |
9767 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
9 |
9767 |
320.8 |
1.6 |
0.794 |
3 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
31 |
9 |
9515 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
25 |
10 |
9767 |
262.1 |
-1.1 |
0.571 |
2 |
2 |
0 |
0.000 |
7 |
10 |
|
D |
28 |
10 |
9767 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
27 |
7 |
9464 |
251.4 |
-3.7 |
0.280 |
5 |
0 |
0 |
0.000 |
8 |
11 |
|
[PG4]A:202 |
13 |
1 |
398 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
9464 |
190.2 |
6.3 |
0.348 |
4 |
0 |
0 |
0.000 |
9 |
12 |
|
[M7P]A:201 |
15 |
1 |
411 |
f |
A |
x,y,z |
1_555 |
28 |
11 |
9464 |
181.1 |
1.9 |
0.211 |
9 |
0 |
0 |
0.358 |
13 |
|
[M7P]B:201 |
15 |
1 |
409 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
9515 |
180.2 |
1.9 |
0.218 |
9 |
0 |
0 |
0.358 |
14 |
|
[M7P]D:201 |
15 |
1 |
410 |
f |
D |
x,y,z |
1_555 |
27 |
11 |
9767 |
169.2 |
1.7 |
0.194 |
9 |
0 |
0 |
0.358 |
15 |
|
[M7P]C:201 |
14 |
1 |
410 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
9505 |
164.7 |
1.5 |
0.230 |
9 |
0 |
0 |
0.358 |
Average: |
173.8 |
1.7 |
0.213 |
9 |
0 |
0 |
0.358 |
10 |
16 |
|
[PG4]B:204 |
13 |
1 |
409 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
9515 |
168.1 |
4.2 |
0.290 |
4 |
0 |
0 |
0.000 |
11 |
17 |
|
D |
18 |
10 |
9767 |
◊ |
[PG4]D:202 |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
1 |
412 |
163.2 |
3.8 |
0.291 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[PGE]D:204 |
10 |
1 |
327 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
9767 |
145.8 |
4.5 |
0.328 |
2 |
0 |
0 |
0.000 |
19 |
|
[PGE]C:202 |
10 |
1 |
326 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
9505 |
142.6 |
3.8 |
0.254 |
0 |
0 |
0 |
0.000 |
Average: |
144.2 |
4.2 |
0.291 |
1 |
0 |
0 |
0.000 |
13 |
20 |
|
D |
13 |
3 |
9767 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
5 |
9505 |
130.7 |
-0.8 |
0.460 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
C |
14 |
8 |
9505 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
6 |
9464 |
120.1 |
1.2 |
0.656 |
2 |
1 |
0 |
0.000 |
15 |
22 |
|
C |
12 |
3 |
9505 |
◊ |
[PGE]A:204 |
x-1/2,-y+1/2,-z |
4_455 |
10 |
1 |
313 |
106.1 |
2.8 |
0.145 |
1 |
0 |
0 |
0.000 |
16 |
23 |
|
[PG4]D:203 |
11 |
1 |
396 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
22 |
6 |
9505 |
104.1 |
2.0 |
0.269 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
[PEG]A:203 |
7 |
1 |
256 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9464 |
101.5 |
1.2 |
0.200 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
C |
10 |
3 |
9505 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
11 |
3 |
9505 |
95.1 |
-1.6 |
0.278 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[PG4]D:202 |
9 |
1 |
412 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
9767 |
91.6 |
1.6 |
0.277 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[GOL]B:203 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
9515 |
89.7 |
0.0 |
0.642 |
3 |
0 |
0 |
0.222 |
21 |
28 |
|
[M7P]A:201 |
12 |
1 |
411 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9515 |
89.4 |
1.6 |
0.179 |
3 |
0 |
0 |
0.000 |
29 |
|
[M7P]B:201 |
13 |
1 |
409 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9464 |
88.4 |
1.6 |
0.164 |
3 |
0 |
0 |
0.000 |
30 |
|
[M7P]D:201 |
12 |
1 |
410 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9505 |
80.1 |
1.5 |
0.172 |
3 |
0 |
0 |
0.000 |
31 |
|
[M7P]C:201 |
12 |
1 |
410 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
9767 |
76.6 |
1.4 |
0.174 |
3 |
0 |
0 |
0.000 |
Average: |
83.6 |
1.5 |
0.172 |
3 |
0 |
0 |
0.000 |
22 |
32 |
|
[PGE]A:204 |
9 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
9464 |
86.4 |
1.9 |
0.125 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
B |
12 |
3 |
9515 |
◊ |
[GOL]C:204 |
x-1/2,-y+1/2,-z |
4_455 |
6 |
1 |
221 |
82.9 |
-0.5 |
0.518 |
0 |
0 |
0 |
0.013 |
24 |
34 |
|
C |
15 |
3 |
9505 |
f |
[GOL]C:204 |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
221 |
82.7 |
-1.2 |
0.442 |
0 |
0 |
0 |
0.057 |
25 |
35 |
|
[M7P]B:201 |
7 |
1 |
409 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
9505 |
82.1 |
2.4 |
0.598 |
0 |
0 |
0 |
0.000 |
36 |
|
[M7P]A:201 |
6 |
1 |
411 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
9767 |
79.3 |
2.2 |
0.653 |
0 |
0 |
0 |
0.000 |
37 |
|
[M7P]D:201 |
6 |
1 |
410 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
9464 |
77.8 |
1.9 |
0.635 |
0 |
0 |
0 |
0.000 |
38 |
|
[M7P]C:201 |
6 |
1 |
410 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9515 |
71.6 |
1.7 |
0.573 |
0 |
0 |
0 |
0.000 |
Average: |
77.7 |
2.1 |
0.615 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[PG4]D:203 |
7 |
1 |
396 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
9505 |
69.1 |
2.1 |
0.393 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[ACT]D:206 |
4 |
1 |
180 |
f |
[PG4]D:203 |
x,y,z |
1_555 |
12 |
1 |
396 |
63.8 |
-0.2 |
0.122 |
1 |
0 |
0 |
0.031 |
28 |
41 |
|
[GOL]B:202 |
4 |
1 |
220 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
5 |
9767 |
61.9 |
0.5 |
0.528 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[PG4]D:203 |
5 |
1 |
396 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
9767 |
59.8 |
2.2 |
0.526 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
C |
11 |
4 |
9505 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
9464 |
56.6 |
1.1 |
0.855 |
3 |
3 |
0 |
0.000 |
31 |
44 |
|
[PG4]D:203 |
5 |
1 |
396 |
f |
[M7P]C:201 |
x,y,z |
1_555 |
9 |
1 |
410 |
52.7 |
2.6 |
0.141 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[ACT]D:206 |
3 |
1 |
180 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
10 |
3 |
9505 |
51.2 |
-0.3 |
0.651 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
[MG]D:205 |
1 |
1 |
98 |
f |
[PG4]D:202 |
x,y,z |
1_555 |
10 |
1 |
412 |
50.9 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.273 |
34 |
47 |
|
[NA]C:205 |
1 |
1 |
125 |
f |
[PG4]D:203 |
x,y,z |
1_555 |
12 |
1 |
396 |
49.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.352 |
35 |
48 |
|
B |
4 |
2 |
9515 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
9505 |
44.1 |
1.4 |
0.920 |
2 |
4 |
0 |
0.000 |
36 |
49 |
|
D |
2 |
1 |
9767 |
◊ |
[M7P]D:201 |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
1 |
410 |
38.8 |
0.2 |
0.140 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[GOL]B:203 |
3 |
1 |
218 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
9767 |
38.0 |
0.5 |
0.660 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
B |
8 |
3 |
9515 |
◊ |
[PG4]D:202 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
412 |
37.7 |
0.1 |
0.327 |
1 |
0 |
0 |
0.000 |
39 |
52 |
|
[GOL]B:202 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9515 |
36.6 |
0.4 |
0.726 |
0 |
0 |
0 |
0.000 |
40 |
53 |
|
[ACT]D:206 |
4 |
1 |
180 |
f |
[NA]C:205 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.122 |
41 |
54 |
|
[PG4]D:203 |
2 |
1 |
396 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
9515 |
27.6 |
-0.0 |
0.350 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
A |
5 |
2 |
9464 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
9464 |
27.5 |
0.5 |
0.800 |
0 |
0 |
0 |
0.000 |
43 |
56 |
|
[PG4]D:202 |
3 |
1 |
412 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9464 |
27.4 |
0.6 |
0.323 |
0 |
0 |
0 |
0.000 |
44 |
57 |
|
C |
4 |
2 |
9505 |
◊ |
[GOL]C:203 |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
220 |
22.1 |
0.3 |
0.681 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
D |
4 |
1 |
9767 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
9505 |
20.6 |
0.5 |
0.841 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
[ACT]D:206 |
3 |
1 |
180 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
9767 |
19.3 |
-0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
47 |
60 |
|
[GOL]C:203 |
4 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
9505 |
18.9 |
-0.2 |
0.552 |
0 |
0 |
0 |
0.008 |
48 |
61 |
|
[PGE]A:204 |
2 |
1 |
313 |
f |
[PEG]A:203 |
x,y,z |
1_555 |
1 |
1 |
256 |
15.1 |
-0.1 |
0.136 |
0 |
0 |
0 |
0.003 |
49 |
62 |
|
[NA]C:205 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
9505 |
13.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.072 |
50 |
63 |
|
[MG]D:205 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
9767 |
12.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.048 |
51 |
64 |
|
D |
3 |
2 |
9767 |
◊ |
[MG]D:205 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
98 |
10.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
65 |
|
[NA]C:205 |
1 |
1 |
125 |
f |
[M7P]C:201 |
x,y,z |
1_555 |
2 |
1 |
410 |
9.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.038 |
53 |
66 |
|
B |
1 |
1 |
9515 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
9767 |
5.4 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
54 |
67 |
|
[ACT]D:206 |
1 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9515 |
3.7 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
55 |
68 |
|
B |
1 |
1 |
9515 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
9464 |
0.9 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
56 |
69 |
|
[NA]C:205 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9767 |
0.8 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
70 |
|
[GOL]C:203 |
1 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9464 |
0.5 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|