## |
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 |
|
B |
483 |
132 |
18840 |
◊ |
A |
x,y,z |
1_555 |
486 |
132 |
18833 |
4491.1 |
-54.7 |
0.004 |
85 |
20 |
1 |
0.801 |
2 |
2 |
|
I |
201 |
42 |
8778 |
◊ |
A |
x,y,z |
1_555 |
210 |
52 |
18833 |
1813.3 |
-9.7 |
0.630 |
23 |
6 |
0 |
0.649 |
3 |
|
J |
192 |
44 |
8777 |
◊ |
B |
x,y,z |
1_555 |
213 |
52 |
18840 |
1809.5 |
-10.4 |
0.574 |
28 |
6 |
0 |
0.649 |
Average: |
1811.4 |
-10.0 |
0.602 |
26 |
6 |
0 |
0.649 |
3 |
4 |
|
J |
91 |
26 |
8777 |
◊ |
B |
-y+1,x,z |
3_655 |
103 |
29 |
18840 |
836.9 |
-3.0 |
0.680 |
10 |
4 |
0 |
0.161 |
5 |
|
A |
103 |
29 |
18833 |
◊ |
I |
-y+1,x,z |
3_655 |
90 |
26 |
8778 |
810.4 |
-2.5 |
0.705 |
10 |
4 |
0 |
0.161 |
Average: |
823.6 |
-2.7 |
0.693 |
10 |
4 |
0 |
0.161 |
4 |
6 |
|
B |
54 |
18 |
18840 |
x |
B |
-y+1,x,z |
3_655 |
49 |
15 |
18840 |
479.5 |
2.4 |
0.863 |
6 |
6 |
0 |
0.023 |
7 |
|
A |
48 |
14 |
18833 |
x |
A |
-y+1,x,z |
3_655 |
55 |
18 |
18833 |
450.3 |
1.7 |
0.810 |
6 |
4 |
0 |
0.023 |
Average: |
464.9 |
2.0 |
0.836 |
6 |
5 |
0 |
0.023 |
5 |
8 |
|
B |
45 |
16 |
18840 |
◊ |
A |
-y+1,x,z |
3_655 |
50 |
16 |
18833 |
446.5 |
-2.3 |
0.535 |
6 |
2 |
0 |
0.060 |
6 |
9 |
|
J |
41 |
10 |
8777 |
◊ |
A |
-y+1,x,z |
3_655 |
38 |
8 |
18833 |
362.3 |
-5.2 |
0.242 |
3 |
0 |
0 |
0.146 |
10 |
|
B |
38 |
8 |
18840 |
◊ |
I |
-y+1,x,z |
3_655 |
40 |
11 |
8778 |
359.2 |
-5.0 |
0.241 |
3 |
0 |
0 |
0.146 |
Average: |
360.7 |
-5.1 |
0.241 |
3 |
0 |
0 |
0.146 |
7 |
11 |
|
I |
24 |
7 |
8778 |
x |
I |
-y+1,x,z |
3_655 |
42 |
12 |
8778 |
333.0 |
-7.9 |
0.024 |
0 |
0 |
0 |
0.152 |
12 |
|
J |
38 |
10 |
8777 |
x |
J |
-y+1,x,z |
3_655 |
24 |
8 |
8777 |
322.1 |
-7.6 |
0.032 |
0 |
0 |
0 |
0.152 |
Average: |
327.6 |
-7.8 |
0.028 |
0 |
0 |
0 |
0.152 |
8 |
13 |
|
[CAP]B:502 |
20 |
1 |
480 |
f |
B |
x,y,z |
1_555 |
54 |
24 |
18840 |
281.0 |
-5.0 |
0.640 |
17 |
0 |
0 |
0.343 |
14 |
|
[CAP]A:502 |
20 |
1 |
473 |
f |
A |
x,y,z |
1_555 |
50 |
22 |
18833 |
279.2 |
-4.4 |
0.635 |
17 |
0 |
0 |
0.343 |
Average: |
280.1 |
-4.7 |
0.638 |
17 |
0 |
0 |
0.343 |
9 |
15 |
|
A |
21 |
8 |
18833 |
◊ |
B |
-y,x,z |
3_555 |
26 |
9 |
18840 |
186.5 |
-2.2 |
0.364 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
I |
13 |
6 |
8778 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
17 |
6 |
18840 |
120.8 |
-1.8 |
0.349 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
[EDO]B:504 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
18840 |
117.0 |
3.2 |
0.476 |
3 |
0 |
0 |
0.000 |
12 |
18 |
|
[EDO]A:506 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
18833 |
110.5 |
3.9 |
0.728 |
4 |
0 |
0 |
0.000 |
13 |
19 |
|
[EDO]A:509 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
21 |
11 |
18833 |
110.4 |
3.5 |
0.510 |
3 |
0 |
0 |
0.000 |
14 |
20 |
|
[EDO]B:503 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
18840 |
108.3 |
3.3 |
0.653 |
3 |
0 |
0 |
0.000 |
15 |
21 |
|
[EDO]A:503 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
10 |
18833 |
105.3 |
3.1 |
0.461 |
3 |
0 |
0 |
0.000 |
16 |
22 |
|
[EDO]B:505 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
17 |
8 |
8777 |
97.9 |
2.4 |
0.305 |
1 |
0 |
0 |
0.000 |
17 |
23 |
|
A |
14 |
3 |
18833 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
13 |
4 |
18840 |
96.6 |
-1.5 |
0.360 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
[CAP]B:502 |
13 |
1 |
480 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
18833 |
96.5 |
-1.2 |
0.778 |
3 |
0 |
0 |
0.039 |
25 |
|
[CAP]A:502 |
14 |
1 |
473 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
18840 |
95.1 |
-0.9 |
0.787 |
3 |
0 |
0 |
0.039 |
Average: |
95.8 |
-1.1 |
0.782 |
3 |
0 |
0 |
0.039 |
19 |
26 |
|
[EDO]I:201 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
16 |
8 |
8778 |
95.5 |
2.5 |
0.527 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]A:510 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
18833 |
86.6 |
2.5 |
0.298 |
2 |
0 |
0 |
0.000 |
21 |
28 |
|
B |
14 |
6 |
18840 |
◊ |
[EDO]A:505 |
-y+1,x,z |
3_655 |
4 |
1 |
182 |
86.2 |
2.2 |
0.284 |
2 |
0 |
0 |
0.000 |
22 |
29 |
|
[EDO]A:504 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18833 |
86.0 |
2.3 |
0.294 |
3 |
0 |
0 |
0.000 |
23 |
30 |
|
[EDO]A:508 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
18833 |
80.0 |
1.7 |
0.256 |
1 |
0 |
0 |
0.000 |
24 |
31 |
|
[EDO]A:508 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
18840 |
78.9 |
1.9 |
0.256 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[EDO]A:507 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
18833 |
77.1 |
1.5 |
0.200 |
1 |
0 |
0 |
0.000 |
26 |
33 |
|
[EDO]A:507 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
18840 |
74.8 |
1.5 |
0.200 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
[EDO]B:505 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
18840 |
64.0 |
1.8 |
0.295 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
A |
9 |
3 |
18833 |
◊ |
[EDO]I:202 |
-y+1,x,z |
3_655 |
4 |
1 |
184 |
61.9 |
2.0 |
0.318 |
1 |
0 |
0 |
0.000 |
29 |
36 |
|
[EDO]I:201 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
18833 |
60.9 |
1.6 |
0.822 |
1 |
0 |
0 |
0.000 |
30 |
37 |
|
[EDO]I:202 |
4 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
16 |
2 |
8778 |
60.7 |
1.3 |
0.451 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
B |
6 |
2 |
18840 |
◊ |
[EDO]A:504 |
-y+1,x,z |
3_655 |
3 |
1 |
185 |
46.0 |
1.0 |
0.753 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[EDO]A:505 |
3 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
18833 |
46.0 |
0.9 |
0.727 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[EDO]I:202 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
18833 |
39.8 |
1.1 |
0.605 |
1 |
0 |
0 |
0.000 |
34 |
41 |
|
I |
4 |
2 |
8778 |
◊ |
J |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
3 |
8777 |
33.7 |
-0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
[EDO]A:503 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
18840 |
31.3 |
0.1 |
0.491 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
18833 |
30.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.139 |
44 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
18840 |
30.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.139 |
Average: |
30.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.139 |
37 |
45 |
|
A |
3 |
1 |
18833 |
◊ |
J |
-y+1/2,x-1/2,z-1/2 |
7_544 |
2 |
1 |
8777 |
30.1 |
1.5 |
0.899 |
1 |
2 |
0 |
0.000 |
38 |
46 |
|
[EDO]B:504 |
3 |
1 |
185 |
f |
[EDO]B:503 |
x,y,z |
1_555 |
4 |
1 |
185 |
29.0 |
1.4 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
A |
4 |
2 |
18833 |
◊ |
[EDO]A:504 |
-y+1,x,z |
3_655 |
2 |
1 |
185 |
28.8 |
1.4 |
0.938 |
0 |
0 |
0 |
0.000 |
40 |
48 |
|
[CAP]A:502 |
3 |
1 |
473 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
49 |
|
[CAP]B:502 |
3 |
1 |
480 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
28.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.094 |
41 |
50 |
|
[EDO]A:509 |
2 |
1 |
185 |
f |
[EDO]A:506 |
x,y,z |
1_555 |
4 |
1 |
183 |
27.3 |
1.3 |
1.000 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
A |
4 |
1 |
18833 |
◊ |
J |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
3 |
1 |
8777 |
25.4 |
0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
[EDO]A:505 |
2 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
18840 |
25.1 |
1.2 |
0.943 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
B |
3 |
1 |
18840 |
◊ |
B |
-x+1,-y,z |
2_655 |
3 |
1 |
18840 |
16.5 |
0.4 |
0.799 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[MG]B:501 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18833 |
11.9 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
55 |
|
[MG]A:501 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18840 |
11.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
11.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
46 |
56 |
|
A |
2 |
2 |
18833 |
◊ |
[EDO]A:510 |
-y+1,x,z |
3_655 |
2 |
1 |
183 |
11.7 |
0.6 |
0.958 |
0 |
0 |
0 |
0.000 |
47 |
57 |
|
J |
1 |
1 |
8777 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18833 |
11.5 |
-0.4 |
0.282 |
0 |
0 |
0 |
0.004 |
58 |
|
I |
1 |
1 |
8778 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18840 |
9.5 |
-0.3 |
0.318 |
0 |
0 |
0 |
0.004 |
Average: |
10.5 |
-0.3 |
0.300 |
0 |
0 |
0 |
0.004 |
48 |
59 |
|
[EDO]A:509 |
2 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
18840 |
5.8 |
0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
49 |
60 |
|
[EDO]B:505 |
2 |
1 |
185 |
f |
B |
-y+1,x,z |
3_655 |
1 |
1 |
18840 |
3.6 |
0.2 |
0.925 |
0 |
0 |
0 |
0.000 |
50 |
61 |
|
[EDO]A:510 |
1 |
1 |
183 |
f |
[EDO]A:503 |
x,y,z |
1_555 |
2 |
1 |
185 |
2.6 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
51 |
62 |
|
A |
1 |
1 |
18833 |
f |
[EDO]I:201 |
-y+1,x,z |
3_655 |
1 |
1 |
185 |
1.8 |
0.1 |
0.904 |
0 |
0 |
0 |
0.000 |
|