## |
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 |
91 |
28 |
18139 |
◊ |
A |
x,y,z |
1_555 |
114 |
38 |
17455 |
986.4 |
-10.4 |
0.113 |
8 |
5 |
0 |
0.000 |
2 |
|
A |
85 |
29 |
17455 |
◊ |
B |
x-1,y,z |
1_455 |
105 |
33 |
18139 |
881.3 |
-7.1 |
0.229 |
11 |
4 |
0 |
0.000 |
3 |
|
D |
105 |
37 |
17947 |
◊ |
C |
x,y,z |
1_555 |
86 |
28 |
18133 |
879.9 |
-6.9 |
0.214 |
8 |
5 |
0 |
0.000 |
4 |
|
C |
98 |
32 |
18133 |
◊ |
D |
x,y-1,z |
1_545 |
85 |
26 |
17947 |
846.9 |
-8.9 |
0.178 |
8 |
3 |
0 |
0.000 |
Average: |
898.6 |
-8.3 |
0.184 |
9 |
4 |
0 |
0.000 |
2 |
5 |
|
C |
65 |
18 |
18133 |
◊ |
B |
x,y-1,z |
1_545 |
43 |
12 |
18139 |
543.5 |
-2.6 |
0.497 |
11 |
0 |
0 |
0.000 |
6 |
|
C |
46 |
13 |
18133 |
◊ |
B |
x-1,y,z |
1_455 |
61 |
18 |
18139 |
534.7 |
-2.9 |
0.467 |
10 |
0 |
0 |
0.000 |
Average: |
539.1 |
-2.8 |
0.482 |
11 |
0 |
0 |
0.000 |
3 |
7 |
|
C |
54 |
17 |
18133 |
◊ |
A |
x,y,z-1 |
1_554 |
58 |
18 |
17455 |
478.3 |
0.3 |
0.697 |
8 |
0 |
0 |
0.000 |
4 |
8 |
|
D |
30 |
7 |
17947 |
◊ |
B |
x,y,z |
1_555 |
38 |
13 |
18139 |
335.4 |
-2.2 |
0.333 |
2 |
2 |
0 |
0.000 |
9 |
|
C |
38 |
13 |
18133 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
17455 |
314.2 |
-2.4 |
0.354 |
3 |
2 |
0 |
0.000 |
Average: |
324.8 |
-2.3 |
0.344 |
3 |
2 |
0 |
0.000 |
5 |
10 |
|
D |
39 |
11 |
17947 |
◊ |
B |
x,y,z-1 |
1_554 |
29 |
9 |
18139 |
312.7 |
0.4 |
0.700 |
5 |
2 |
0 |
0.000 |
6 |
11 |
|
[T34]B:504 |
19 |
1 |
465 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
18139 |
249.9 |
0.0 |
0.438 |
2 |
0 |
0 |
0.000 |
12 |
|
[T34]C:504 |
17 |
1 |
466 |
f |
C |
x,y,z |
1_555 |
43 |
14 |
18133 |
247.5 |
2.3 |
0.644 |
2 |
0 |
0 |
0.000 |
13 |
|
[T34]A:504 |
17 |
1 |
469 |
f |
A |
x,y,z |
1_555 |
40 |
14 |
17455 |
247.3 |
-0.0 |
0.421 |
2 |
0 |
0 |
0.000 |
14 |
|
[T34]D:504 |
17 |
1 |
463 |
f |
D |
x,y,z |
1_555 |
40 |
14 |
17947 |
243.9 |
2.2 |
0.619 |
2 |
0 |
0 |
0.000 |
Average: |
247.1 |
1.1 |
0.530 |
2 |
0 |
0 |
0.001 |
7 |
15 |
|
D |
23 |
8 |
17947 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
9 |
18139 |
211.6 |
0.5 |
0.705 |
3 |
3 |
0 |
0.000 |
16 |
|
C |
21 |
7 |
18133 |
◊ |
A |
x,y-1,z |
1_545 |
22 |
8 |
17455 |
179.6 |
-0.3 |
0.611 |
2 |
3 |
0 |
0.000 |
Average: |
195.6 |
0.1 |
0.658 |
3 |
3 |
0 |
0.000 |
8 |
17 |
|
[DMF]C:511 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
26 |
7 |
18133 |
147.8 |
3.4 |
0.462 |
0 |
0 |
0 |
0.000 |
18 |
|
[DMF]B:508 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
26 |
7 |
18139 |
142.7 |
2.8 |
0.408 |
1 |
0 |
0 |
0.000 |
Average: |
145.2 |
3.1 |
0.435 |
1 |
0 |
0 |
0.000 |
9 |
19 |
|
[DMF]B:505 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
27 |
8 |
18139 |
146.9 |
2.2 |
0.369 |
0 |
0 |
0 |
0.000 |
10 |
20 |
|
D |
25 |
7 |
17947 |
◊ |
A |
x,y,z-1 |
1_554 |
26 |
8 |
17455 |
146.7 |
0.1 |
0.656 |
2 |
1 |
0 |
0.000 |
11 |
21 |
|
[DMF]A:506 |
5 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
28 |
8 |
17455 |
146.0 |
2.8 |
0.405 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[DMF]D:505 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
28 |
9 |
17947 |
143.8 |
3.1 |
0.423 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
[DMF]C:510 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
25 |
8 |
18133 |
143.6 |
2.4 |
0.368 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[DMF]B:509 |
5 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
29 |
8 |
18139 |
143.0 |
3.4 |
0.490 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[GOL]C:512 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
18133 |
142.5 |
-0.1 |
0.605 |
8 |
0 |
0 |
0.003 |
16 |
26 |
|
[GOL]D:507 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
17947 |
141.6 |
-0.3 |
0.574 |
6 |
0 |
0 |
0.002 |
27 |
|
[GOL]B:511 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
18139 |
141.5 |
-0.3 |
0.589 |
5 |
0 |
0 |
0.002 |
28 |
|
[GOL]A:509 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17455 |
140.6 |
-0.4 |
0.563 |
6 |
0 |
0 |
0.002 |
Average: |
141.3 |
-0.3 |
0.575 |
6 |
0 |
0 |
0.002 |
17 |
29 |
|
[DMF]A:508 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
26 |
8 |
17455 |
141.6 |
3.3 |
0.465 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[DMF]C:508 |
5 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
26 |
8 |
18133 |
141.4 |
3.6 |
0.479 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[DMF]D:506 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
23 |
8 |
17947 |
131.8 |
3.3 |
0.450 |
1 |
0 |
0 |
0.000 |
20 |
32 |
|
[GOL]B:512 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
18139 |
128.7 |
-0.6 |
0.580 |
3 |
0 |
0 |
0.001 |
21 |
33 |
|
C |
21 |
8 |
18133 |
◊ |
[DMF]A:505 |
x,y-1,z |
1_545 |
5 |
1 |
216 |
126.5 |
3.4 |
0.483 |
1 |
0 |
0 |
0.000 |
22 |
34 |
|
[DMF]C:505 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
18133 |
123.1 |
3.5 |
0.455 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[DMF]C:507 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
20 |
8 |
18133 |
122.7 |
3.1 |
0.420 |
0 |
0 |
0 |
0.000 |
24 |
36 |
|
[DMF]B:507 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
18139 |
121.4 |
2.8 |
0.425 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[DMF]C:509 |
5 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
18133 |
119.3 |
3.9 |
0.515 |
1 |
0 |
0 |
0.000 |
26 |
38 |
|
[DMF]A:507 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
17455 |
115.5 |
3.0 |
0.461 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[K]B:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
18139 |
114.6 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.080 |
40 |
|
[K]A:503 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17455 |
114.3 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.080 |
41 |
|
[K]C:503 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
18133 |
114.3 |
-108.3 |
0.000 |
0 |
0 |
0 |
0.080 |
42 |
|
[K]D:503 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
17947 |
114.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
114.4 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.080 |
28 |
43 |
|
[DMF]B:506 |
5 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
18139 |
114.1 |
3.2 |
0.478 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[DMF]B:510 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
18139 |
80.9 |
1.0 |
0.234 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[DMF]C:506 |
5 |
1 |
215 |
f |
D |
x,y-1,z |
1_545 |
13 |
5 |
17947 |
80.3 |
1.2 |
0.238 |
1 |
0 |
0 |
0.000 |
31 |
46 |
|
[DMF]C:506 |
5 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
18133 |
68.7 |
1.8 |
0.318 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
C |
4 |
1 |
18133 |
◊ |
[T34]D:504 |
x,y-1,z |
1_545 |
7 |
1 |
463 |
47.9 |
-0.1 |
0.504 |
1 |
0 |
0 |
0.000 |
48 |
|
[T34]C:504 |
7 |
1 |
466 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
17947 |
47.7 |
-0.1 |
0.487 |
1 |
0 |
0 |
0.000 |
49 |
|
[T34]B:504 |
7 |
1 |
465 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17455 |
45.5 |
0.7 |
0.649 |
0 |
0 |
0 |
0.000 |
50 |
|
[T34]A:504 |
6 |
1 |
469 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
18139 |
45.0 |
0.6 |
0.643 |
1 |
0 |
0 |
0.000 |
Average: |
46.5 |
0.3 |
0.571 |
1 |
0 |
0 |
0.000 |
33 |
51 |
|
A |
10 |
4 |
17455 |
◊ |
[GOL]B:512 |
x-1,y,z |
1_455 |
4 |
1 |
217 |
47.2 |
-0.3 |
0.562 |
0 |
0 |
0 |
0.000 |
34 |
52 |
|
[DMF]A:505 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
17455 |
42.5 |
0.3 |
0.175 |
0 |
0 |
0 |
0.000 |
35 |
53 |
|
A |
4 |
1 |
17455 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
18139 |
38.7 |
0.8 |
0.816 |
0 |
0 |
0 |
0.000 |
36 |
54 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
18133 |
37.9 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.020 |
55 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
17455 |
37.4 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.020 |
56 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
17947 |
37.3 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.020 |
57 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
18139 |
37.0 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
37.4 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.020 |
37 |
58 |
|
C |
4 |
2 |
18133 |
◊ |
B |
x-1,y-1,z |
1_445 |
5 |
2 |
18139 |
35.4 |
0.5 |
0.777 |
0 |
0 |
0 |
0.000 |
38 |
59 |
|
[T34]D:504 |
4 |
1 |
463 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.009 |
60 |
|
[T34]A:504 |
4 |
1 |
469 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.009 |
61 |
|
[T34]B:504 |
4 |
1 |
465 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.009 |
62 |
|
[T34]C:504 |
4 |
1 |
466 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
30.5 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.009 |
39 |
63 |
|
[DMF]B:510 |
4 |
1 |
217 |
f |
[DMF]B:506 |
x,y,z |
1_555 |
2 |
1 |
216 |
30.5 |
2.0 |
0.220 |
0 |
0 |
0 |
0.000 |
40 |
64 |
|
D |
3 |
1 |
17947 |
f |
[DMF]A:507 |
x,y,z-1 |
1_554 |
3 |
1 |
217 |
18.0 |
0.6 |
0.388 |
0 |
0 |
0 |
0.000 |
41 |
65 |
|
C |
1 |
1 |
18133 |
f |
[DMF]B:507 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
17.4 |
-0.1 |
0.226 |
0 |
0 |
0 |
0.000 |
42 |
66 |
|
[DMF]C:505 |
2 |
1 |
217 |
f |
B |
x,y-1,z |
1_545 |
1 |
1 |
18139 |
16.4 |
0.2 |
0.206 |
0 |
0 |
0 |
0.000 |
43 |
67 |
|
[DMF]C:507 |
3 |
1 |
217 |
f |
A |
x,y,z-1 |
1_554 |
1 |
1 |
17455 |
11.6 |
-0.1 |
0.154 |
0 |
0 |
0 |
0.000 |
44 |
68 |
|
C |
3 |
2 |
18133 |
f |
[DMF]B:510 |
x-1,y,z |
1_455 |
2 |
1 |
217 |
11.4 |
0.2 |
0.367 |
0 |
0 |
0 |
0.000 |
45 |
69 |
|
[GOL]A:509 |
1 |
1 |
219 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
18139 |
2.8 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
70 |
|
C |
1 |
1 |
18133 |
◊ |
[GOL]D:507 |
x,y-1,z |
1_545 |
1 |
1 |
220 |
0.6 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
Average: |
1.7 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
|