## |
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 |
179 |
51 |
14009 |
◊ |
A |
x,y,z |
1_555 |
185 |
50 |
13783 |
1732.6 |
-14.5 |
0.598 |
25 |
0 |
0 |
0.000 |
2 |
2 |
|
C |
75 |
19 |
6201 |
◊ |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
76 |
26 |
14009 |
669.1 |
-3.9 |
0.570 |
6 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
70 |
20 |
13783 |
◊ |
D |
x,y,z |
1_555 |
68 |
22 |
6006 |
624.1 |
-8.5 |
0.348 |
3 |
0 |
0 |
0.000 |
4 |
|
B |
70 |
20 |
14009 |
◊ |
C |
x,y,z |
1_555 |
69 |
22 |
6201 |
624.1 |
-8.3 |
0.318 |
3 |
0 |
0 |
0.000 |
Average: |
624.1 |
-8.4 |
0.333 |
3 |
0 |
0 |
0.000 |
4 |
5 |
|
A |
49 |
13 |
13783 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
53 |
14 |
14009 |
456.3 |
-4.4 |
0.534 |
5 |
0 |
0 |
0.000 |
5 |
6 |
|
D |
38 |
12 |
6006 |
◊ |
C |
-x-1/2,-y-1,z-1/2 |
2_444 |
35 |
15 |
6201 |
335.2 |
-0.3 |
0.796 |
4 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
27 |
8 |
14009 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
34 |
9 |
6006 |
289.7 |
-2.9 |
0.282 |
4 |
0 |
0 |
0.000 |
7 |
8 |
|
D |
34 |
11 |
6006 |
◊ |
C |
x,y,z-1 |
1_554 |
26 |
9 |
6201 |
254.6 |
0.5 |
0.837 |
8 |
0 |
0 |
0.000 |
8 |
9 |
|
[EDO]A:611 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
24 |
9 |
13783 |
128.4 |
3.3 |
0.516 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[EDO]A:613 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
13783 |
112.5 |
3.5 |
0.507 |
4 |
0 |
0 |
0.000 |
10 |
11 |
|
[EDO]D:201 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
6006 |
110.9 |
3.7 |
0.533 |
4 |
0 |
0 |
0.000 |
11 |
12 |
|
[EDO]A:608 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
22 |
6 |
13783 |
110.8 |
3.6 |
0.515 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
[EDO]B:606 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
14009 |
108.9 |
3.5 |
0.503 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[EDO]A:607 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
13783 |
107.7 |
2.2 |
0.434 |
1 |
0 |
0 |
0.000 |
14 |
15 |
|
[EDO]B:602 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
14009 |
106.3 |
2.2 |
0.424 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[EDO]A:601 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
13783 |
105.5 |
2.9 |
0.489 |
3 |
0 |
0 |
0.000 |
16 |
17 |
|
[EDO]A:602 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
13783 |
105.5 |
2.0 |
0.254 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[EDO]B:611 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
14009 |
105.4 |
3.0 |
0.510 |
3 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]B:601 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
14009 |
105.0 |
2.0 |
0.257 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
[EDO]B:603 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14009 |
103.2 |
3.2 |
0.474 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
[EDO]B:614 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
14009 |
102.6 |
2.1 |
0.442 |
2 |
0 |
0 |
0.000 |
21 |
22 |
|
[EDO]A:612 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13783 |
102.4 |
3.1 |
0.514 |
3 |
0 |
0 |
0.000 |
22 |
23 |
|
B |
4 |
1 |
14009 |
x |
B |
-x-1/2,-y,z-1/2 |
2_454 |
16 |
6 |
14009 |
102.0 |
-1.8 |
0.067 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
11 |
6 |
13783 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
13783 |
84.2 |
-1.6 |
0.101 |
0 |
0 |
0 |
0.000 |
Average: |
93.1 |
-1.7 |
0.084 |
0 |
0 |
0 |
0.000 |
23 |
25 |
|
[EDO]B:618 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14009 |
101.7 |
2.0 |
0.254 |
3 |
0 |
0 |
0.000 |
24 |
26 |
|
[EDO]A:615 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13783 |
100.4 |
3.0 |
0.493 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[EDO]C:201 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
6201 |
89.2 |
2.6 |
0.509 |
3 |
0 |
0 |
0.000 |
26 |
28 |
|
[EDO]B:619 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
14009 |
88.3 |
2.4 |
0.461 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
[EDO]B:612 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
6201 |
85.4 |
1.9 |
0.256 |
4 |
0 |
0 |
0.000 |
28 |
30 |
|
[EDO]D:202 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
6006 |
84.3 |
2.1 |
0.272 |
3 |
0 |
0 |
0.000 |
29 |
31 |
|
[EDO]B:610 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14009 |
82.7 |
1.9 |
0.268 |
0 |
0 |
0 |
0.000 |
30 |
32 |
|
[EDO]B:604 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
13783 |
82.4 |
2.1 |
0.378 |
0 |
0 |
0 |
0.000 |
31 |
33 |
|
[EDO]B:609 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
14009 |
79.2 |
2.9 |
0.323 |
2 |
0 |
0 |
0.000 |
32 |
34 |
|
[EDO]A:603 |
4 |
1 |
181 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13783 |
78.3 |
0.9 |
0.206 |
1 |
0 |
0 |
0.000 |
33 |
35 |
|
[EDO]A:603 |
4 |
1 |
181 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
14009 |
78.0 |
1.6 |
0.204 |
0 |
0 |
0 |
0.000 |
34 |
36 |
|
[EDO]A:609 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13783 |
76.9 |
2.7 |
0.318 |
2 |
0 |
0 |
0.000 |
35 |
37 |
|
[EDO]B:616 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
14009 |
76.6 |
2.5 |
0.318 |
2 |
0 |
0 |
0.000 |
36 |
38 |
|
[EDO]B:613 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
14009 |
74.7 |
2.9 |
0.585 |
3 |
0 |
0 |
0.000 |
37 |
39 |
|
[EDO]A:614 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13783 |
73.8 |
2.8 |
0.343 |
2 |
0 |
0 |
0.000 |
38 |
40 |
|
C |
11 |
3 |
6201 |
◊ |
[EDO]B:617 |
-x-1,y-1/2,-z+1/2 |
3_445 |
4 |
1 |
184 |
73.5 |
2.4 |
0.458 |
0 |
0 |
0 |
0.000 |
39 |
41 |
|
[EDO]A:606 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
13783 |
72.4 |
1.9 |
0.311 |
0 |
0 |
0 |
0.000 |
40 |
42 |
|
[EDO]B:605 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
14009 |
72.1 |
2.2 |
0.527 |
1 |
0 |
0 |
0.000 |
41 |
43 |
|
[EDO]B:607 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
14009 |
71.9 |
2.0 |
0.313 |
0 |
0 |
0 |
0.000 |
42 |
44 |
|
[EDO]B:617 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
14009 |
69.8 |
1.1 |
0.773 |
2 |
0 |
0 |
0.000 |
43 |
45 |
|
[EDO]B:615 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
14009 |
69.8 |
2.1 |
0.285 |
0 |
0 |
0 |
0.000 |
44 |
46 |
|
[EDO]A:616 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
14009 |
68.8 |
2.1 |
0.281 |
1 |
0 |
0 |
0.000 |
45 |
47 |
|
[EDO]A:605 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
13783 |
68.6 |
2.0 |
0.282 |
1 |
0 |
0 |
0.000 |
46 |
48 |
|
[EDO]A:604 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13783 |
67.5 |
2.0 |
0.546 |
3 |
0 |
0 |
0.000 |
47 |
49 |
|
[EDO]B:620 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
14009 |
66.2 |
1.6 |
0.799 |
1 |
0 |
0 |
0.000 |
48 |
50 |
|
[EDO]B:607 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
13783 |
65.6 |
1.9 |
0.264 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[EDO]A:606 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
14009 |
64.2 |
2.1 |
0.261 |
0 |
0 |
0 |
0.000 |
50 |
52 |
|
[EDO]B:610 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13783 |
62.2 |
0.8 |
0.644 |
0 |
0 |
0 |
0.000 |
51 |
53 |
|
B |
6 |
2 |
14009 |
f |
[EDO]B:608 |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
185 |
61.2 |
1.0 |
0.453 |
0 |
0 |
0 |
0.000 |
52 |
54 |
|
[EDO]C:201 |
4 |
1 |
184 |
f |
B |
-x-1,y-1/2,-z+1/2 |
3_445 |
5 |
3 |
14009 |
57.4 |
1.1 |
0.620 |
1 |
0 |
0 |
0.000 |
53 |
55 |
|
[EDO]A:616 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13783 |
56.9 |
1.5 |
0.303 |
3 |
0 |
0 |
0.000 |
54 |
56 |
|
[EDO]A:605 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
14009 |
56.8 |
1.5 |
0.308 |
3 |
0 |
0 |
0.000 |
55 |
57 |
|
[EDO]B:608 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
14009 |
52.5 |
1.0 |
0.638 |
0 |
0 |
0 |
0.000 |
56 |
58 |
|
[EDO]B:605 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
13783 |
46.8 |
1.0 |
0.928 |
2 |
0 |
0 |
0.000 |
57 |
59 |
|
[EDO]B:612 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14009 |
44.4 |
1.6 |
0.972 |
2 |
0 |
0 |
0.000 |
58 |
60 |
|
[EDO]A:604 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
14009 |
44.3 |
1.7 |
0.934 |
0 |
0 |
0 |
0.000 |
59 |
61 |
|
[EDO]D:202 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
13783 |
43.7 |
1.5 |
0.977 |
2 |
0 |
0 |
0.000 |
60 |
62 |
|
[EDO]A:610 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
13783 |
41.9 |
0.2 |
0.436 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[EDO]B:619 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
6201 |
41.2 |
0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
62 |
64 |
|
[EDO]B:613 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
13783 |
39.8 |
1.1 |
0.836 |
0 |
0 |
0 |
0.000 |
63 |
65 |
|
[EDO]A:610 |
2 |
1 |
185 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
1 |
13783 |
38.3 |
0.8 |
0.726 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
[EDO]B:602 |
3 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
13783 |
35.4 |
0.4 |
0.405 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
[EDO]B:620 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13783 |
35.3 |
1.6 |
0.951 |
0 |
0 |
0 |
0.000 |
66 |
68 |
|
[EDO]B:615 |
2 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
13783 |
32.6 |
0.5 |
0.335 |
0 |
0 |
0 |
0.000 |
67 |
69 |
|
[EDO]B:604 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14009 |
32.4 |
0.8 |
0.906 |
1 |
0 |
0 |
0.000 |
68 |
70 |
|
[EDO]B:620 |
2 |
1 |
185 |
f |
[EDO]A:606 |
x,y,z |
1_555 |
4 |
1 |
182 |
31.6 |
1.3 |
1.000 |
1 |
0 |
0 |
0.000 |
69 |
71 |
|
[EDO]A:607 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14009 |
31.3 |
0.5 |
0.396 |
0 |
0 |
0 |
0.000 |
70 |
72 |
|
[EDO]B:614 |
3 |
1 |
185 |
f |
[EDO]B:607 |
x,y,z |
1_555 |
3 |
1 |
183 |
30.6 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
71 |
73 |
|
[EDO]B:605 |
4 |
1 |
186 |
f |
[EDO]A:604 |
x,y,z |
1_555 |
4 |
1 |
183 |
29.6 |
1.4 |
1.000 |
1 |
0 |
0 |
0.000 |
72 |
74 |
|
[EDO]B:613 |
3 |
1 |
185 |
f |
[EDO]A:604 |
x,y,z |
1_555 |
3 |
1 |
183 |
27.1 |
1.1 |
1.000 |
1 |
0 |
0 |
0.000 |
73 |
75 |
|
[EDO]B:609 |
3 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
13783 |
26.5 |
0.5 |
0.896 |
0 |
0 |
0 |
0.000 |
74 |
76 |
|
[EDO]A:609 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
14009 |
26.4 |
0.6 |
0.905 |
0 |
0 |
0 |
0.000 |
75 |
77 |
|
[EDO]A:614 |
2 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
14009 |
26.3 |
0.1 |
0.498 |
0 |
0 |
0 |
0.000 |
76 |
78 |
|
[EDO]B:613 |
2 |
1 |
185 |
f |
[EDO]B:605 |
x,y,z |
1_555 |
2 |
1 |
186 |
21.5 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
77 |
79 |
|
[EDO]B:620 |
2 |
1 |
185 |
f |
[EDO]B:610 |
x,y,z |
1_555 |
2 |
1 |
184 |
20.5 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
78 |
80 |
|
[EDO]B:604 |
3 |
1 |
184 |
f |
[EDO]A:602 |
x,y,z |
1_555 |
1 |
1 |
185 |
17.2 |
0.9 |
0.707 |
0 |
0 |
0 |
0.000 |
79 |
81 |
|
[EDO]B:604 |
1 |
1 |
184 |
f |
[EDO]A:601 |
x,y,z |
1_555 |
1 |
1 |
184 |
14.9 |
0.7 |
0.707 |
0 |
0 |
0 |
0.000 |
80 |
82 |
|
[EDO]B:614 |
2 |
1 |
185 |
f |
[EDO]B:602 |
x,y,z |
1_555 |
3 |
1 |
186 |
12.5 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
81 |
83 |
|
[EDO]B:610 |
2 |
1 |
184 |
f |
[EDO]A:607 |
x,y,z |
1_555 |
2 |
1 |
185 |
6.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
82 |
84 |
|
[EDO]B:614 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
13783 |
5.5 |
-0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
83 |
85 |
|
A |
1 |
1 |
13783 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
13783 |
5.3 |
0.0 |
0.494 |
0 |
0 |
0 |
0.000 |
84 |
86 |
|
A |
1 |
1 |
13783 |
f |
[EDO]A:616 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
184 |
4.7 |
0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
85 |
87 |
|
[EDO]B:620 |
1 |
1 |
185 |
f |
[EDO]A:607 |
x,y,z |
1_555 |
2 |
1 |
185 |
4.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
86 |
88 |
|
[EDO]B:619 |
2 |
1 |
183 |
f |
[EDO]B:612 |
x,y,z |
1_555 |
1 |
1 |
185 |
3.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
87 |
89 |
|
[EDO]A:602 |
1 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14009 |
3.4 |
0.2 |
0.870 |
0 |
0 |
0 |
0.000 |
88 |
90 |
|
[EDO]B:601 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13783 |
3.4 |
0.1 |
0.875 |
0 |
0 |
0 |
0.000 |
|