## |
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 |
611 |
147 |
30738 |
◊ |
A |
x,y,z |
1_555 |
618 |
150 |
31236 |
5515.8 |
-32.4 |
0.376 |
78 |
37 |
0 |
0.805 |
2 |
|
C |
600 |
145 |
31121 |
◊ |
B |
x,y,z |
1_555 |
598 |
145 |
30707 |
5409.8 |
-31.2 |
0.404 |
82 |
35 |
0 |
0.805 |
Average: |
5462.8 |
-31.8 |
0.390 |
80 |
36 |
0 |
0.805 |
2 |
3 |
|
C |
508 |
120 |
31121 |
◊ |
A |
x,y,z |
1_555 |
505 |
117 |
31236 |
4734.4 |
-47.9 |
0.033 |
62 |
17 |
0 |
0.771 |
4 |
|
D |
508 |
120 |
30738 |
◊ |
B |
x,y,z |
1_555 |
509 |
118 |
30707 |
4731.1 |
-48.2 |
0.035 |
62 |
15 |
0 |
0.771 |
Average: |
4732.8 |
-48.0 |
0.034 |
62 |
16 |
0 |
0.771 |
3 |
5 |
|
D |
226 |
63 |
30738 |
◊ |
C |
x,y,z |
1_555 |
224 |
63 |
31121 |
2068.6 |
-21.3 |
0.087 |
27 |
0 |
0 |
0.631 |
6 |
|
B |
224 |
64 |
30707 |
◊ |
A |
x,y,z |
1_555 |
226 |
64 |
31236 |
2047.0 |
-21.3 |
0.092 |
27 |
0 |
0 |
0.631 |
Average: |
2057.8 |
-21.3 |
0.089 |
27 |
0 |
0 |
0.631 |
4 |
7 |
|
C |
64 |
19 |
31121 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
74 |
23 |
30707 |
634.2 |
-0.7 |
0.724 |
3 |
0 |
0 |
0.000 |
5 |
8 |
|
[HEM]C:801 |
43 |
1 |
820 |
f |
C |
x,y,z |
1_555 |
94 |
29 |
31121 |
580.4 |
-16.8 |
0.667 |
5 |
0 |
0 |
0.717 |
9 |
|
[HEM]B:801 |
43 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
94 |
29 |
30707 |
578.8 |
-18.3 |
0.608 |
5 |
0 |
0 |
0.717 |
10 |
|
[HEM]D:801 |
43 |
1 |
822 |
f |
D |
x,y,z |
1_555 |
93 |
29 |
30738 |
578.7 |
-16.8 |
0.674 |
5 |
0 |
0 |
0.717 |
11 |
|
[HEM]A:801 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
93 |
29 |
31236 |
575.7 |
-15.1 |
0.702 |
5 |
0 |
0 |
0.717 |
Average: |
578.4 |
-16.7 |
0.663 |
5 |
0 |
0 |
0.717 |
6 |
12 |
|
C |
20 |
6 |
31121 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
9 |
30738 |
207.6 |
-1.3 |
0.485 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
[PGE]A:804 |
10 |
1 |
332 |
◊ |
A |
x,y,z |
1_555 |
26 |
13 |
31236 |
199.8 |
6.3 |
0.463 |
2 |
0 |
0 |
0.000 |
8 |
14 |
|
B |
19 |
8 |
30707 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
6 |
31236 |
194.3 |
0.8 |
0.771 |
2 |
3 |
0 |
0.000 |
9 |
15 |
|
[PG4]C:804 |
13 |
1 |
398 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
31121 |
185.4 |
4.2 |
0.294 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
[1PE]B:804 |
14 |
1 |
477 |
◊ |
B |
x,y,z |
1_555 |
24 |
11 |
30707 |
174.5 |
-0.2 |
0.742 |
0 |
0 |
0 |
0.002 |
11 |
17 |
|
[1PE]B:804 |
16 |
1 |
477 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
31121 |
169.1 |
0.1 |
0.759 |
1 |
0 |
0 |
0.005 |
12 |
18 |
|
[PGE]B:805 |
9 |
1 |
327 |
◊ |
B |
x,y,z |
1_555 |
20 |
11 |
30707 |
164.1 |
4.6 |
0.366 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
A |
19 |
6 |
31236 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
8 |
30738 |
151.9 |
-2.2 |
0.323 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
[PGE]D:804 |
10 |
1 |
332 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
31236 |
141.8 |
3.1 |
0.185 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[PEG]C:806 |
6 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
31121 |
124.1 |
4.0 |
0.484 |
1 |
0 |
0 |
0.000 |
16 |
22 |
|
[PEG]A:806 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
31236 |
121.8 |
3.7 |
0.460 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[ACT]B:802 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
30707 |
121.3 |
-1.4 |
0.511 |
1 |
0 |
0 |
0.062 |
24 |
|
[ACT]A:802 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
31236 |
121.2 |
-1.4 |
0.502 |
0 |
0 |
0 |
0.062 |
Average: |
121.2 |
-1.4 |
0.506 |
1 |
0 |
0 |
0.062 |
18 |
25 |
|
[ACT]C:802 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
31121 |
120.5 |
-1.4 |
0.506 |
0 |
0 |
0 |
0.055 |
26 |
|
[ACT]D:802 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
30738 |
116.5 |
-1.3 |
0.524 |
2 |
0 |
0 |
0.055 |
Average: |
118.5 |
-1.3 |
0.515 |
1 |
0 |
0 |
0.055 |
19 |
27 |
|
[PEG]B:806 |
7 |
1 |
249 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
30707 |
120.3 |
3.8 |
0.411 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[EDO]B:808 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
30707 |
116.0 |
2.5 |
0.394 |
2 |
0 |
0 |
0.000 |
21 |
29 |
|
[EDO]A:807 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
31236 |
114.2 |
2.6 |
0.407 |
1 |
0 |
0 |
0.000 |
22 |
30 |
|
[EDO]D:805 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
30738 |
111.2 |
3.8 |
0.558 |
1 |
0 |
0 |
0.000 |
23 |
31 |
|
[EDO]C:808 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
31121 |
110.8 |
2.7 |
0.442 |
2 |
0 |
0 |
0.000 |
24 |
32 |
|
[ACT]A:803 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
31236 |
110.8 |
-0.9 |
0.608 |
2 |
0 |
0 |
0.033 |
25 |
33 |
|
[ACT]B:803 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
30707 |
110.5 |
-0.9 |
0.610 |
1 |
0 |
0 |
0.025 |
26 |
34 |
|
[ACT]D:803 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
19 |
10 |
30738 |
109.0 |
-0.9 |
0.605 |
1 |
0 |
0 |
0.047 |
35 |
|
[ACT]C:803 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
31121 |
107.7 |
-0.8 |
0.604 |
2 |
0 |
0 |
0.047 |
Average: |
108.4 |
-0.8 |
0.605 |
2 |
0 |
0 |
0.047 |
27 |
36 |
|
[PGE]D:804 |
9 |
1 |
332 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
30738 |
108.7 |
4.4 |
0.233 |
1 |
0 |
0 |
0.000 |
28 |
37 |
|
B |
10 |
5 |
30707 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
15 |
6 |
31236 |
108.0 |
0.6 |
0.718 |
2 |
1 |
0 |
0.000 |
29 |
38 |
|
[EOH]D:809 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
30738 |
102.0 |
2.8 |
0.237 |
1 |
0 |
0 |
0.000 |
30 |
39 |
|
C |
9 |
3 |
31121 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
5 |
31236 |
100.6 |
0.6 |
0.756 |
0 |
2 |
0 |
0.000 |
31 |
40 |
|
[PEG]C:807 |
6 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
31121 |
93.9 |
2.7 |
0.386 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
[EDO]B:807 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
30707 |
92.8 |
3.4 |
0.541 |
1 |
0 |
0 |
0.000 |
33 |
42 |
|
[EDO]D:807 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
30738 |
92.2 |
2.1 |
0.243 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[EDO]D:806 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
30738 |
90.7 |
2.9 |
0.511 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
[EOH]B:809 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
30707 |
89.2 |
3.2 |
0.309 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
[PEG]C:805 |
6 |
1 |
255 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
31121 |
89.1 |
2.1 |
0.296 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[EOH]A:808 |
3 |
1 |
173 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
31236 |
87.9 |
2.7 |
0.156 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
[EOH]D:810 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
30738 |
85.6 |
1.8 |
0.251 |
1 |
0 |
0 |
0.000 |
39 |
48 |
|
[PEG]C:807 |
5 |
1 |
257 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
3 |
30707 |
79.6 |
3.0 |
0.497 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[PEG]A:805 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
31236 |
74.3 |
2.5 |
0.341 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[HEM]C:801 |
7 |
1 |
820 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
30707 |
72.9 |
-2.0 |
0.475 |
0 |
0 |
0 |
0.044 |
51 |
|
[HEM]D:801 |
8 |
1 |
822 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
31236 |
72.6 |
-2.0 |
0.478 |
0 |
0 |
0 |
0.044 |
52 |
|
[HEM]B:801 |
8 |
1 |
821 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
31121 |
72.5 |
-2.1 |
0.462 |
0 |
0 |
0 |
0.044 |
53 |
|
[HEM]A:801 |
7 |
1 |
814 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
30738 |
71.3 |
-2.0 |
0.482 |
0 |
0 |
0 |
0.044 |
Average: |
72.4 |
-2.0 |
0.474 |
0 |
0 |
0 |
0.044 |
42 |
54 |
|
[EOH]B:810 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
30707 |
66.8 |
1.8 |
0.127 |
0 |
0 |
0 |
0.000 |
43 |
55 |
|
D |
7 |
2 |
30738 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
31236 |
66.7 |
-0.4 |
0.482 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[PG4]C:804 |
9 |
1 |
398 |
f |
B |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
3 |
30707 |
66.6 |
0.2 |
0.202 |
0 |
0 |
0 |
0.000 |
45 |
57 |
|
[EDO]C:810 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
31121 |
63.1 |
1.7 |
0.777 |
0 |
0 |
0 |
0.000 |
46 |
58 |
|
[EOH]D:808 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
30738 |
63.0 |
2.8 |
0.172 |
0 |
0 |
0 |
0.000 |
47 |
59 |
|
[EOH]D:808 |
3 |
1 |
172 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
30707 |
59.3 |
1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
[EDO]C:809 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
31121 |
57.5 |
2.1 |
0.940 |
1 |
0 |
0 |
0.000 |
49 |
61 |
|
[PEG]C:805 |
6 |
1 |
255 |
f |
B |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
4 |
30707 |
56.0 |
0.7 |
0.165 |
0 |
0 |
0 |
0.000 |
50 |
62 |
|
[1PE]B:804 |
5 |
1 |
477 |
f |
[PEG]B:806 |
x,y,z |
1_555 |
4 |
1 |
249 |
44.1 |
0.5 |
0.208 |
0 |
0 |
0 |
0.000 |
51 |
63 |
|
D |
4 |
1 |
30738 |
f |
[PEG]A:805 |
-x+1/2,-y,z-1/2 |
2_554 |
6 |
1 |
253 |
40.8 |
1.4 |
0.205 |
0 |
0 |
0 |
0.000 |
52 |
64 |
|
[EDO]C:808 |
3 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
31236 |
34.4 |
0.5 |
0.288 |
0 |
0 |
0 |
0.000 |
53 |
65 |
|
A |
5 |
1 |
31236 |
f |
[EOH]D:810 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
172 |
33.4 |
1.2 |
0.922 |
1 |
0 |
0 |
0.000 |
54 |
66 |
|
[EOH]D:810 |
2 |
1 |
172 |
f |
[EOH]D:809 |
x,y,z |
1_555 |
1 |
1 |
172 |
29.4 |
1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
67 |
|
[EDO]C:809 |
3 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
30738 |
28.2 |
0.3 |
0.594 |
0 |
0 |
0 |
0.000 |
56 |
68 |
|
[PEG]A:806 |
2 |
1 |
257 |
◊ |
[EOH]D:810 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
172 |
26.3 |
0.3 |
0.319 |
0 |
0 |
0 |
0.000 |
57 |
69 |
|
[PEG]A:806 |
3 |
1 |
257 |
f |
D |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
30738 |
25.6 |
0.1 |
0.282 |
1 |
0 |
0 |
0.006 |
58 |
70 |
|
[EDO]D:805 |
2 |
1 |
185 |
f |
[PGE]D:804 |
x,y,z |
1_555 |
5 |
1 |
332 |
24.2 |
1.2 |
0.219 |
0 |
0 |
0 |
0.000 |
59 |
71 |
|
[PEG]B:806 |
2 |
1 |
249 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
31121 |
23.9 |
-0.1 |
0.172 |
0 |
0 |
0 |
0.001 |
60 |
72 |
|
[PGE]B:805 |
3 |
1 |
327 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
31121 |
18.1 |
-0.0 |
0.143 |
0 |
0 |
0 |
0.000 |
61 |
73 |
|
[EDO]C:809 |
2 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
30707 |
17.1 |
0.4 |
0.767 |
0 |
0 |
0 |
0.000 |
62 |
74 |
|
[PEG]A:806 |
2 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
30707 |
16.9 |
0.7 |
0.503 |
0 |
0 |
0 |
0.000 |
63 |
75 |
|
[EDO]D:806 |
2 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
31121 |
16.7 |
0.5 |
0.942 |
0 |
0 |
0 |
0.000 |
64 |
76 |
|
[EDO]B:807 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
31236 |
16.0 |
0.6 |
0.904 |
0 |
0 |
0 |
0.000 |
65 |
77 |
|
[PGE]A:804 |
2 |
1 |
332 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
30738 |
11.1 |
0.6 |
0.405 |
0 |
0 |
0 |
0.000 |
66 |
78 |
|
[PEG]C:806 |
2 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
30707 |
9.7 |
0.0 |
0.201 |
0 |
0 |
0 |
0.000 |
67 |
79 |
|
B |
1 |
1 |
30707 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
30738 |
4.6 |
0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
68 |
80 |
|
B |
1 |
1 |
30707 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
30738 |
0.8 |
-0.0 |
0.512 |
0 |
0 |
0 |
0.000 |
|