## |
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 |
|
L |
84 |
17 |
4238 |
◊ |
G |
x,y,z |
1_555 |
75 |
18 |
4206 |
706.3 |
-3.2 |
0.444 |
11 |
4 |
0 |
0.840 |
2 |
|
I |
79 |
16 |
4233 |
◊ |
D |
x,y,z |
1_555 |
72 |
18 |
4157 |
699.8 |
-2.9 |
0.497 |
10 |
3 |
0 |
0.840 |
3 |
|
H |
74 |
19 |
4214 |
◊ |
D |
x,y,z |
1_555 |
79 |
16 |
4157 |
690.4 |
-4.1 |
0.407 |
9 |
2 |
0 |
0.840 |
4 |
|
H |
80 |
17 |
4214 |
◊ |
E |
x,y,z |
1_555 |
75 |
19 |
4151 |
688.0 |
-4.4 |
0.381 |
10 |
2 |
0 |
0.840 |
5 |
|
K |
70 |
18 |
4180 |
◊ |
G |
x,y,z |
1_555 |
81 |
16 |
4206 |
686.2 |
-3.5 |
0.439 |
11 |
2 |
0 |
0.840 |
6 |
|
K |
77 |
17 |
4180 |
◊ |
J |
x,y,z |
1_555 |
71 |
18 |
4226 |
680.4 |
-4.8 |
0.341 |
9 |
3 |
0 |
0.840 |
7 |
|
J |
80 |
16 |
4226 |
◊ |
F |
x,y,z |
1_555 |
75 |
19 |
4127 |
672.0 |
-3.1 |
0.468 |
10 |
3 |
0 |
0.840 |
8 |
|
I |
76 |
19 |
4233 |
◊ |
C |
x,y,z |
1_555 |
79 |
17 |
4182 |
662.0 |
-2.9 |
0.461 |
11 |
3 |
0 |
0.840 |
9 |
|
L |
72 |
19 |
4238 |
◊ |
F |
x,y,z |
1_555 |
74 |
16 |
4127 |
657.3 |
-2.4 |
0.486 |
11 |
5 |
0 |
0.840 |
10 |
|
E |
78 |
16 |
4151 |
◊ |
C |
x,y,z |
1_555 |
73 |
18 |
4182 |
657.2 |
-2.7 |
0.500 |
11 |
4 |
0 |
0.840 |
Average: |
680.0 |
-3.4 |
0.443 |
10 |
3 |
0 |
0.840 |
2 |
11 |
|
A |
65 |
19 |
13584 |
◊ |
B |
x,y,z-1 |
1_554 |
60 |
19 |
13653 |
590.1 |
-5.5 |
0.260 |
0 |
0 |
0 |
0.147 |
3 |
12 |
|
E |
56 |
17 |
4151 |
◊ |
B |
x,y,z |
1_555 |
62 |
17 |
13653 |
522.1 |
-0.5 |
0.537 |
5 |
0 |
0 |
0.055 |
13 |
|
J |
53 |
16 |
4226 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
13584 |
518.4 |
-0.6 |
0.499 |
5 |
0 |
0 |
0.055 |
Average: |
520.3 |
-0.6 |
0.518 |
5 |
0 |
0 |
0.055 |
4 |
14 |
|
L |
59 |
15 |
4238 |
◊ |
A |
x,y,z |
1_555 |
53 |
16 |
13584 |
515.0 |
-3.8 |
0.310 |
4 |
2 |
0 |
0.113 |
15 |
|
I |
60 |
15 |
4233 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
13653 |
510.0 |
-3.5 |
0.356 |
4 |
2 |
0 |
0.113 |
Average: |
512.5 |
-3.7 |
0.333 |
4 |
2 |
0 |
0.113 |
5 |
16 |
|
C |
51 |
12 |
4182 |
◊ |
B |
x,y,z |
1_555 |
58 |
18 |
13653 |
503.1 |
-1.6 |
0.468 |
2 |
0 |
0 |
0.054 |
17 |
|
F |
53 |
12 |
4127 |
◊ |
A |
x,y,z |
1_555 |
59 |
18 |
13584 |
502.2 |
-2.1 |
0.461 |
2 |
0 |
0 |
0.054 |
Average: |
502.7 |
-1.8 |
0.465 |
2 |
0 |
0 |
0.054 |
6 |
18 |
|
K |
45 |
13 |
4180 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
13584 |
452.2 |
-4.3 |
0.268 |
4 |
0 |
0 |
0.112 |
19 |
|
H |
46 |
13 |
4214 |
◊ |
B |
x,y,z |
1_555 |
47 |
14 |
13653 |
430.4 |
-2.7 |
0.400 |
4 |
0 |
0 |
0.112 |
Average: |
441.3 |
-3.5 |
0.334 |
4 |
0 |
0 |
0.112 |
7 |
20 |
|
G |
39 |
11 |
4206 |
◊ |
A |
x,y,z |
1_555 |
33 |
13 |
13584 |
350.2 |
-3.3 |
0.259 |
0 |
0 |
0 |
0.069 |
21 |
|
D |
38 |
10 |
4157 |
◊ |
B |
x,y,z |
1_555 |
30 |
12 |
13653 |
332.8 |
-3.4 |
0.243 |
0 |
0 |
0 |
0.069 |
Average: |
341.5 |
-3.4 |
0.251 |
0 |
0 |
0 |
0.069 |
8 |
22 |
|
I |
33 |
11 |
4233 |
◊ |
A |
x-1,y,z |
1_455 |
37 |
11 |
13584 |
324.5 |
-2.1 |
0.409 |
2 |
0 |
0 |
0.039 |
9 |
23 |
|
B |
25 |
6 |
13653 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
13584 |
301.4 |
1.7 |
0.790 |
7 |
3 |
0 |
0.000 |
10 |
24 |
|
B |
36 |
14 |
13653 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
26 |
7 |
13584 |
290.0 |
1.1 |
0.738 |
6 |
1 |
0 |
0.000 |
11 |
25 |
|
E |
34 |
8 |
4151 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
13584 |
260.2 |
0.4 |
0.691 |
3 |
2 |
0 |
0.017 |
12 |
26 |
|
[EPE]B:301 |
14 |
1 |
407 |
f |
B |
x,y,z |
1_555 |
32 |
13 |
13653 |
227.8 |
4.3 |
0.113 |
1 |
0 |
0 |
0.000 |
13 |
27 |
|
[EPE]A:302 |
15 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
13584 |
221.9 |
4.5 |
0.086 |
1 |
0 |
0 |
0.000 |
14 |
28 |
|
B |
22 |
8 |
13653 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
24 |
6 |
4226 |
185.4 |
1.8 |
0.781 |
0 |
0 |
0 |
0.000 |
15 |
29 |
|
B |
14 |
5 |
13653 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
22 |
5 |
4238 |
168.5 |
-1.8 |
0.357 |
0 |
0 |
0 |
0.002 |
16 |
30 |
|
B |
13 |
5 |
13653 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
11 |
4 |
4127 |
115.7 |
-0.0 |
0.574 |
0 |
0 |
0 |
0.000 |
17 |
31 |
|
[EDO]I:101 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
17 |
4 |
4233 |
90.0 |
2.1 |
0.260 |
1 |
0 |
0 |
0.000 |
18 |
32 |
|
[EDO]J:101 |
4 |
1 |
185 |
◊ |
J |
x,y,z |
1_555 |
18 |
5 |
4226 |
88.0 |
3.0 |
0.466 |
1 |
0 |
0 |
0.000 |
19 |
33 |
|
B |
10 |
5 |
13653 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
15 |
3 |
4206 |
87.8 |
0.5 |
0.681 |
0 |
0 |
0 |
0.000 |
20 |
34 |
|
[EDO]B:304 |
4 |
1 |
185 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
17 |
4 |
4127 |
87.6 |
2.0 |
0.262 |
0 |
0 |
0 |
0.000 |
21 |
35 |
|
[EDO]D:101 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
6 |
4157 |
86.9 |
2.4 |
0.275 |
1 |
0 |
0 |
0.000 |
22 |
36 |
|
[EDO]C:101 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
19 |
4 |
4182 |
86.5 |
2.4 |
0.269 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
I |
11 |
4 |
4233 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
2 |
4151 |
84.4 |
-1.1 |
0.266 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[EDO]B:302 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13653 |
82.1 |
2.3 |
0.276 |
2 |
0 |
0 |
0.000 |
25 |
39 |
|
[EDO]B:303 |
4 |
1 |
186 |
f |
J |
-x,y-1/2,-z |
2_545 |
12 |
4 |
4226 |
78.3 |
2.0 |
0.269 |
0 |
0 |
0 |
0.000 |
26 |
40 |
|
[EDO]B:303 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
13653 |
69.8 |
1.5 |
0.736 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
[EDO]I:101 |
3 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
4182 |
57.2 |
1.4 |
0.257 |
0 |
0 |
0 |
0.000 |
28 |
42 |
|
H |
4 |
2 |
4214 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13584 |
52.1 |
-1.3 |
0.168 |
0 |
0 |
0 |
0.018 |
29 |
43 |
|
[EDO]B:304 |
3 |
1 |
185 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
11 |
3 |
4226 |
51.9 |
1.3 |
0.258 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
J |
4 |
2 |
4226 |
◊ |
L |
x-1,y,z |
1_455 |
7 |
3 |
4238 |
46.6 |
-0.0 |
0.607 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[EDO]C:101 |
3 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
4151 |
39.8 |
0.8 |
0.668 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
3 |
13653 |
35.9 |
-20.7 |
0.000 |
0 |
0 |
0 |
1.000 |
47 |
|
[ZN]A:301 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13584 |
34.4 |
-19.4 |
0.000 |
0 |
0 |
0 |
1.000 |
Average: |
35.1 |
-20.1 |
0.000 |
0 |
0 |
0 |
1.000 |
33 |
48 |
|
C |
5 |
3 |
4182 |
◊ |
L |
x-1,y,z |
1_455 |
5 |
3 |
4238 |
33.8 |
1.0 |
0.785 |
0 |
1 |
0 |
0.000 |
34 |
49 |
|
I |
3 |
1 |
4233 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
1 |
4206 |
27.2 |
0.4 |
0.748 |
0 |
2 |
0 |
0.000 |
35 |
50 |
|
[EDO]B:303 |
3 |
1 |
186 |
◊ |
[EDO]J:101 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
185 |
22.6 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
51 |
|
B |
3 |
1 |
13653 |
f |
[EDO]J:101 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
185 |
15.8 |
0.3 |
0.841 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[EDO]B:302 |
1 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
4157 |
14.1 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[EDO]C:101 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
13653 |
8.3 |
0.4 |
0.850 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
I |
1 |
1 |
4233 |
◊ |
L |
x-1,y,z |
1_455 |
1 |
1 |
4238 |
6.4 |
0.3 |
0.832 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
C |
1 |
1 |
4182 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
13584 |
4.9 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[EDO]B:304 |
1 |
1 |
185 |
f |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
13584 |
3.4 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
42 |
57 |
|
[EDO]C:101 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13584 |
2.4 |
0.1 |
0.847 |
0 |
0 |
0 |
0.000 |
|