## |
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 |
|
F |
228 |
59 |
14573 |
◊ |
D |
x,y,z |
1_555 |
234 |
60 |
14793 |
2146.4 |
-21.5 |
0.271 |
30 |
12 |
0 |
0.752 |
2 |
|
B |
231 |
61 |
14607 |
◊ |
A |
x,y,z |
1_555 |
231 |
61 |
14527 |
2126.0 |
-20.6 |
0.281 |
28 |
10 |
0 |
0.752 |
3 |
|
H |
231 |
60 |
14587 |
◊ |
G |
x,y,z |
1_555 |
230 |
60 |
14492 |
2108.1 |
-20.6 |
0.316 |
26 |
10 |
0 |
0.752 |
4 |
|
L |
227 |
60 |
14542 |
◊ |
J |
x,y,z |
1_555 |
222 |
58 |
14349 |
2047.4 |
-23.4 |
0.437 |
27 |
9 |
0 |
0.752 |
5 |
|
E |
217 |
59 |
14390 |
◊ |
C |
x,y,z |
1_555 |
215 |
57 |
14265 |
1971.3 |
-24.1 |
0.298 |
26 |
8 |
0 |
0.752 |
6 |
|
K |
217 |
58 |
14362 |
◊ |
I |
x,y,z |
1_555 |
207 |
57 |
14644 |
1918.7 |
-21.6 |
0.522 |
26 |
8 |
0 |
0.752 |
Average: |
2053.0 |
-22.0 |
0.354 |
27 |
10 |
0 |
0.752 |
2 |
7 |
|
I |
54 |
15 |
14644 |
◊ |
C |
x,y,z |
1_555 |
52 |
14 |
14265 |
528.7 |
0.4 |
0.903 |
15 |
13 |
1 |
0.208 |
8 |
|
H |
52 |
13 |
14587 |
◊ |
A |
x,y,z |
1_555 |
54 |
14 |
14527 |
518.6 |
0.6 |
0.835 |
16 |
16 |
1 |
0.208 |
9 |
|
G |
54 |
14 |
14492 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
14607 |
508.6 |
1.1 |
0.850 |
16 |
16 |
1 |
0.208 |
10 |
|
L |
54 |
14 |
14542 |
◊ |
F |
x,y,z |
1_555 |
52 |
14 |
14573 |
508.2 |
0.7 |
0.896 |
16 |
16 |
1 |
0.208 |
11 |
|
J |
51 |
13 |
14349 |
◊ |
D |
x,y,z |
1_555 |
50 |
12 |
14793 |
505.6 |
0.4 |
0.825 |
15 |
16 |
1 |
0.208 |
12 |
|
K |
50 |
13 |
14362 |
◊ |
E |
x,y,z |
1_555 |
52 |
14 |
14390 |
500.6 |
1.1 |
0.912 |
16 |
16 |
1 |
0.208 |
Average: |
511.7 |
0.7 |
0.870 |
16 |
16 |
1 |
0.208 |
3 |
13 |
|
C |
44 |
15 |
14265 |
◊ |
A |
x,y,z |
1_555 |
48 |
15 |
14527 |
443.5 |
-4.0 |
0.466 |
0 |
0 |
0 |
0.000 |
14 |
|
D |
44 |
15 |
14793 |
◊ |
B |
x,y,z |
1_555 |
45 |
15 |
14607 |
427.3 |
-5.0 |
0.284 |
0 |
0 |
0 |
0.000 |
Average: |
435.4 |
-4.5 |
0.375 |
0 |
0 |
0 |
0.000 |
4 |
15 |
|
[9HC]D:1331 |
25 |
1 |
585 |
cf |
D |
x,y,z |
1_555 |
64 |
25 |
14793 |
396.8 |
-3.6 |
0.583 |
7 |
0 |
0 |
0.303 |
16 |
|
[9HC]H:1331 |
25 |
1 |
586 |
cf |
H |
x,y,z |
1_555 |
63 |
26 |
14587 |
396.2 |
-3.8 |
0.594 |
8 |
0 |
0 |
0.303 |
17 |
|
[9HC]G:1331 |
25 |
1 |
584 |
cf |
G |
x,y,z |
1_555 |
66 |
27 |
14492 |
396.2 |
-2.1 |
0.693 |
8 |
0 |
0 |
0.303 |
18 |
|
[9HC]I:1331 |
25 |
1 |
585 |
cf |
I |
x,y,z |
1_555 |
63 |
26 |
14644 |
395.5 |
-3.6 |
0.706 |
7 |
0 |
0 |
0.303 |
19 |
|
[9HC]C:1331 |
25 |
1 |
582 |
cf |
C |
x,y,z |
1_555 |
60 |
26 |
14265 |
394.4 |
-3.5 |
0.637 |
8 |
0 |
0 |
0.303 |
20 |
|
[9HC]E:1331 |
25 |
1 |
580 |
cf |
E |
x,y,z |
1_555 |
63 |
27 |
14390 |
394.1 |
-2.1 |
0.735 |
8 |
0 |
0 |
0.303 |
21 |
|
[9HC]A:1331 |
25 |
1 |
580 |
cf |
A |
x,y,z |
1_555 |
61 |
26 |
14527 |
392.8 |
-3.7 |
0.583 |
8 |
0 |
0 |
0.303 |
22 |
|
[9HC]F:1331 |
25 |
1 |
582 |
cf |
F |
x,y,z |
1_555 |
65 |
26 |
14573 |
392.5 |
-3.9 |
0.624 |
8 |
0 |
0 |
0.303 |
23 |
|
[9HC]L:1331 |
25 |
1 |
582 |
cf |
L |
x,y,z |
1_555 |
70 |
28 |
14542 |
392.5 |
-1.0 |
0.784 |
8 |
0 |
0 |
0.303 |
24 |
|
[9HC]B:1331 |
25 |
1 |
579 |
cf |
B |
x,y,z |
1_555 |
64 |
27 |
14607 |
392.4 |
-4.9 |
0.467 |
8 |
0 |
0 |
0.303 |
25 |
|
[9HC]K:1331 |
25 |
1 |
585 |
cf |
K |
x,y,z |
1_555 |
60 |
25 |
14362 |
391.2 |
-2.1 |
0.734 |
7 |
0 |
0 |
0.303 |
26 |
|
[9HC]J:1331 |
25 |
1 |
577 |
cf |
J |
x,y,z |
1_555 |
61 |
27 |
14349 |
390.7 |
-2.4 |
0.712 |
8 |
0 |
0 |
0.303 |
Average: |
393.8 |
-3.1 |
0.654 |
8 |
0 |
0 |
0.303 |
5 |
27 |
|
J |
43 |
15 |
14349 |
◊ |
G |
x,y,z |
1_555 |
37 |
13 |
14492 |
379.6 |
-4.5 |
0.355 |
1 |
0 |
0 |
0.000 |
28 |
|
I |
37 |
13 |
14644 |
◊ |
H |
x,y,z |
1_555 |
36 |
13 |
14587 |
346.2 |
-5.2 |
0.309 |
0 |
1 |
0 |
0.000 |
Average: |
362.9 |
-4.8 |
0.332 |
1 |
1 |
0 |
0.000 |
6 |
29 |
|
H |
25 |
8 |
14587 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
14607 |
251.6 |
4.4 |
0.970 |
7 |
0 |
0 |
0.000 |
30 |
|
K |
25 |
8 |
14362 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
14265 |
247.7 |
5.4 |
0.991 |
6 |
0 |
0 |
0.000 |
31 |
|
J |
25 |
8 |
14349 |
◊ |
F |
x,y,z |
1_555 |
24 |
7 |
14573 |
241.0 |
4.6 |
0.978 |
9 |
0 |
0 |
0.000 |
32 |
|
I |
23 |
6 |
14644 |
◊ |
E |
x,y,z |
1_555 |
24 |
7 |
14390 |
231.4 |
5.0 |
0.991 |
8 |
0 |
0 |
0.000 |
33 |
|
G |
23 |
7 |
14492 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
14527 |
230.8 |
5.6 |
0.988 |
6 |
0 |
0 |
0.000 |
34 |
|
L |
24 |
7 |
14542 |
◊ |
D |
x,y,z |
1_555 |
24 |
7 |
14793 |
230.0 |
5.0 |
0.986 |
8 |
0 |
0 |
0.000 |
Average: |
238.7 |
5.0 |
0.984 |
7 |
0 |
0 |
0.000 |
7 |
35 |
|
F |
27 |
10 |
14573 |
◊ |
H |
-x,y-1/2,-z+1 |
2_546 |
18 |
4 |
14587 |
194.0 |
-3.5 |
0.200 |
0 |
0 |
0 |
0.000 |
36 |
|
D |
18 |
4 |
14793 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
28 |
10 |
14492 |
179.6 |
-3.5 |
0.199 |
0 |
0 |
0 |
0.000 |
Average: |
186.8 |
-3.5 |
0.200 |
0 |
0 |
0 |
0.000 |
8 |
37 |
|
F |
19 |
6 |
14573 |
◊ |
E |
x-1,y,z+1 |
1_456 |
15 |
5 |
14390 |
149.1 |
-0.1 |
0.731 |
2 |
3 |
0 |
0.000 |
9 |
38 |
|
C |
13 |
5 |
14265 |
◊ |
K |
x-1,y,z |
1_455 |
13 |
4 |
14362 |
109.1 |
0.4 |
0.756 |
3 |
0 |
0 |
0.000 |
39 |
|
L |
2 |
2 |
14542 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
14793 |
9.3 |
-0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
Average: |
59.2 |
0.2 |
0.657 |
2 |
0 |
0 |
0.000 |
10 |
40 |
|
A |
12 |
4 |
14527 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
7 |
3 |
14265 |
91.9 |
-2.2 |
0.162 |
0 |
0 |
0 |
0.000 |
11 |
41 |
|
C |
11 |
5 |
14265 |
◊ |
F |
x,y,z-1 |
1_554 |
8 |
3 |
14573 |
86.2 |
-1.6 |
0.253 |
0 |
0 |
0 |
0.000 |
12 |
42 |
|
B |
12 |
5 |
14607 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
14793 |
82.1 |
-2.2 |
0.156 |
0 |
0 |
0 |
0.000 |
43 |
|
H |
10 |
4 |
14587 |
◊ |
K |
x-1,y,z |
1_455 |
10 |
4 |
14362 |
67.0 |
-1.5 |
0.330 |
0 |
0 |
0 |
0.000 |
Average: |
74.6 |
-1.9 |
0.243 |
0 |
0 |
0 |
0.000 |
13 |
44 |
|
B |
9 |
3 |
14607 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
10 |
2 |
14349 |
80.8 |
-1.3 |
0.378 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
8 |
2 |
14527 |
◊ |
K |
x-1,y,z |
1_455 |
6 |
3 |
14362 |
63.5 |
-1.4 |
0.256 |
0 |
0 |
0 |
0.000 |
Average: |
72.1 |
-1.3 |
0.317 |
0 |
0 |
0 |
0.000 |
14 |
46 |
|
G |
10 |
3 |
14492 |
◊ |
H |
x-1,y,z |
1_455 |
9 |
2 |
14587 |
69.7 |
0.9 |
0.839 |
1 |
1 |
0 |
0.000 |
15 |
47 |
|
L |
7 |
4 |
14542 |
◊ |
G |
x-1,y,z |
1_455 |
6 |
5 |
14492 |
63.3 |
-1.7 |
0.188 |
0 |
0 |
0 |
0.000 |
16 |
48 |
|
E |
10 |
3 |
14390 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
3 |
14793 |
62.2 |
-1.1 |
0.417 |
0 |
0 |
0 |
0.000 |
17 |
49 |
|
F |
7 |
4 |
14573 |
◊ |
J |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
5 |
14349 |
61.7 |
-1.1 |
0.376 |
0 |
0 |
0 |
0.000 |
18 |
50 |
|
E |
4 |
2 |
14390 |
◊ |
I |
-x+1,y-1/2,-z |
2_645 |
8 |
3 |
14644 |
48.3 |
-1.4 |
0.209 |
0 |
0 |
0 |
0.000 |
19 |
51 |
|
J |
4 |
2 |
14349 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
2 |
14587 |
36.7 |
0.9 |
0.896 |
1 |
2 |
0 |
0.000 |
20 |
52 |
|
[9HC]J:1331 |
4 |
1 |
577 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
14542 |
36.6 |
-0.9 |
0.288 |
0 |
0 |
0 |
0.037 |
53 |
|
[9HC]H:1331 |
4 |
1 |
586 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
14492 |
35.9 |
-0.9 |
0.260 |
0 |
0 |
0 |
0.037 |
54 |
|
[9HC]B:1331 |
4 |
1 |
579 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14527 |
35.4 |
-0.9 |
0.269 |
0 |
0 |
0 |
0.037 |
55 |
|
[9HC]G:1331 |
4 |
1 |
584 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14587 |
35.4 |
-0.9 |
0.263 |
0 |
0 |
0 |
0.037 |
56 |
|
[9HC]D:1331 |
3 |
1 |
585 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
14573 |
35.3 |
-0.9 |
0.260 |
0 |
0 |
0 |
0.037 |
57 |
|
[9HC]F:1331 |
4 |
1 |
582 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14793 |
35.0 |
-0.9 |
0.266 |
0 |
0 |
0 |
0.037 |
58 |
|
[9HC]I:1331 |
4 |
1 |
585 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
14362 |
34.9 |
-0.9 |
0.296 |
0 |
0 |
0 |
0.037 |
59 |
|
[9HC]A:1331 |
4 |
1 |
580 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14607 |
34.4 |
-0.9 |
0.269 |
0 |
0 |
0 |
0.037 |
60 |
|
[9HC]C:1331 |
3 |
1 |
582 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
14390 |
33.3 |
-0.9 |
0.278 |
0 |
0 |
0 |
0.037 |
61 |
|
[9HC]L:1331 |
4 |
1 |
582 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
14349 |
31.2 |
-0.7 |
0.311 |
0 |
0 |
0 |
0.037 |
62 |
|
[9HC]E:1331 |
4 |
1 |
580 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14265 |
30.6 |
-0.7 |
0.318 |
0 |
0 |
0 |
0.037 |
Average: |
34.4 |
-0.9 |
0.280 |
0 |
0 |
0 |
0.037 |
21 |
63 |
|
[9HC]K:1331 |
4 |
1 |
585 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
14644 |
35.0 |
-0.8 |
0.304 |
0 |
0 |
0 |
0.018 |
22 |
64 |
|
E |
4 |
3 |
14390 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
6 |
2 |
14492 |
33.2 |
0.6 |
0.661 |
0 |
0 |
0 |
0.000 |
23 |
65 |
|
D |
4 |
2 |
14793 |
◊ |
L |
-x-1,y-1/2,-z+1 |
2_446 |
2 |
1 |
14542 |
28.5 |
0.3 |
0.791 |
0 |
0 |
0 |
0.000 |
24 |
66 |
|
C |
2 |
1 |
14265 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
2 |
1 |
14587 |
20.8 |
-0.0 |
0.429 |
0 |
0 |
0 |
0.000 |
25 |
67 |
|
D |
4 |
3 |
14793 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
5 |
3 |
14349 |
20.5 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
26 |
68 |
|
C |
1 |
1 |
14265 |
◊ |
K |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
14362 |
19.9 |
0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
27 |
69 |
|
B |
1 |
1 |
14607 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
1 |
1 |
14390 |
5.0 |
0.4 |
0.893 |
0 |
0 |
0 |
0.000 |
70 |
|
A |
1 |
1 |
14527 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
14573 |
2.5 |
0.1 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
3.8 |
0.2 |
0.823 |
0 |
0 |
0 |
0.000 |
28 |
71 |
|
G |
1 |
1 |
14492 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
14644 |
0.3 |
0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
|