## |
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 |
|
C |
211 |
63 |
22528 |
◊ |
A |
x,y,z |
1_555 |
214 |
62 |
22429 |
2014.3 |
-3.7 |
0.468 |
32 |
5 |
0 |
0.240 |
2 |
|
D |
215 |
61 |
22441 |
◊ |
B |
x,y,z |
1_555 |
209 |
57 |
22549 |
1959.9 |
-5.3 |
0.407 |
29 |
5 |
0 |
0.240 |
Average: |
1987.1 |
-4.5 |
0.437 |
31 |
5 |
0 |
0.240 |
2 |
3 |
|
D |
195 |
50 |
22441 |
◊ |
A |
x,y,z |
1_555 |
191 |
47 |
22429 |
1750.9 |
-10.1 |
0.192 |
25 |
0 |
0 |
0.270 |
4 |
|
C |
193 |
47 |
22528 |
◊ |
B |
x,y,z |
1_555 |
192 |
48 |
22549 |
1746.0 |
-10.1 |
0.207 |
26 |
0 |
0 |
0.270 |
Average: |
1748.4 |
-10.1 |
0.199 |
26 |
0 |
0 |
0.270 |
3 |
5 |
|
D |
52 |
15 |
22441 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
22528 |
456.8 |
-1.6 |
0.438 |
4 |
8 |
0 |
0.043 |
6 |
|
B |
49 |
16 |
22549 |
◊ |
A |
x,y,z |
1_555 |
52 |
15 |
22429 |
450.3 |
-1.8 |
0.426 |
4 |
7 |
0 |
0.043 |
Average: |
453.6 |
-1.7 |
0.432 |
4 |
8 |
0 |
0.043 |
4 |
7 |
|
[DGT]B:700 |
29 |
1 |
613 |
f |
B |
x,y,z |
1_555 |
64 |
27 |
22549 |
436.5 |
1.2 |
0.639 |
12 |
0 |
0 |
0.113 |
8 |
|
[DGT]A:700 |
29 |
1 |
614 |
f |
A |
x,y,z |
1_555 |
65 |
27 |
22429 |
435.1 |
1.2 |
0.633 |
12 |
0 |
0 |
0.113 |
9 |
|
[DGT]D:700 |
30 |
1 |
614 |
f |
D |
x,y,z |
1_555 |
64 |
27 |
22441 |
432.8 |
1.0 |
0.627 |
13 |
0 |
0 |
0.113 |
10 |
|
[DGT]C:700 |
30 |
1 |
616 |
f |
C |
x,y,z |
1_555 |
62 |
26 |
22528 |
430.7 |
0.9 |
0.612 |
12 |
0 |
0 |
0.113 |
Average: |
433.8 |
1.1 |
0.628 |
12 |
0 |
0 |
0.113 |
5 |
11 |
|
D |
42 |
13 |
22441 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
35 |
9 |
22441 |
382.9 |
-3.6 |
0.188 |
3 |
0 |
0 |
0.000 |
6 |
12 |
|
B |
35 |
11 |
22549 |
◊ |
A |
x,y,z-1 |
1_554 |
37 |
10 |
22429 |
329.5 |
1.9 |
0.724 |
4 |
5 |
0 |
0.000 |
7 |
13 |
|
C |
23 |
8 |
22528 |
◊ |
D |
x-1,y,z-1 |
1_454 |
31 |
13 |
22441 |
230.4 |
3.5 |
0.850 |
4 |
1 |
0 |
0.000 |
8 |
14 |
|
[DGT]A:900 |
25 |
1 |
584 |
f |
A |
x,y,z |
1_555 |
35 |
13 |
22429 |
222.1 |
0.0 |
0.448 |
4 |
0 |
0 |
0.051 |
15 |
|
[DGT]D:900 |
25 |
1 |
581 |
f |
D |
x,y,z |
1_555 |
35 |
13 |
22441 |
221.5 |
-0.1 |
0.461 |
4 |
0 |
0 |
0.051 |
16 |
|
[DGT]B:900 |
25 |
1 |
584 |
f |
B |
x,y,z |
1_555 |
34 |
13 |
22549 |
221.0 |
-0.3 |
0.436 |
4 |
0 |
0 |
0.051 |
17 |
|
[DGT]C:900 |
25 |
1 |
583 |
f |
C |
x,y,z |
1_555 |
33 |
13 |
22528 |
220.4 |
-0.3 |
0.428 |
4 |
0 |
0 |
0.051 |
Average: |
221.3 |
-0.2 |
0.443 |
4 |
0 |
0 |
0.051 |
9 |
18 |
|
[DGT]C:900 |
21 |
1 |
583 |
◊ |
B |
x,y,z |
1_555 |
25 |
10 |
22549 |
201.6 |
3.0 |
0.700 |
8 |
0 |
0 |
0.014 |
19 |
|
[DGT]D:900 |
20 |
1 |
581 |
◊ |
A |
x,y,z |
1_555 |
25 |
10 |
22429 |
200.2 |
3.0 |
0.701 |
7 |
0 |
0 |
0.014 |
20 |
|
[DGT]A:900 |
20 |
1 |
584 |
◊ |
D |
x,y,z |
1_555 |
25 |
10 |
22441 |
199.6 |
2.9 |
0.692 |
7 |
0 |
0 |
0.014 |
21 |
|
[DGT]B:900 |
21 |
1 |
584 |
◊ |
C |
x,y,z |
1_555 |
25 |
10 |
22528 |
199.2 |
2.9 |
0.696 |
8 |
0 |
0 |
0.014 |
Average: |
200.2 |
3.0 |
0.697 |
8 |
0 |
0 |
0.014 |
10 |
22 |
|
[DGT]C:800 |
24 |
1 |
619 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
22528 |
191.0 |
-1.4 |
0.326 |
4 |
0 |
0 |
0.040 |
23 |
|
[DGT]D:800 |
25 |
1 |
618 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
22441 |
189.7 |
-1.3 |
0.311 |
3 |
0 |
0 |
0.040 |
Average: |
190.4 |
-1.3 |
0.318 |
4 |
0 |
0 |
0.040 |
11 |
24 |
|
[DGT]A:800 |
25 |
1 |
619 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
22429 |
190.0 |
-1.3 |
0.292 |
4 |
0 |
0 |
0.039 |
25 |
|
[DGT]B:800 |
24 |
1 |
616 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
22549 |
189.9 |
-1.3 |
0.291 |
4 |
0 |
0 |
0.039 |
Average: |
190.0 |
-1.3 |
0.292 |
4 |
0 |
0 |
0.039 |
12 |
26 |
|
[DGT]A:800 |
22 |
1 |
619 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
22528 |
189.0 |
1.4 |
0.633 |
8 |
0 |
0 |
0.048 |
27 |
|
[DGT]C:800 |
22 |
1 |
619 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
22429 |
186.7 |
1.9 |
0.653 |
8 |
0 |
0 |
0.048 |
28 |
|
[DGT]B:800 |
22 |
1 |
616 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
22441 |
184.6 |
2.2 |
0.646 |
8 |
0 |
0 |
0.048 |
29 |
|
[DGT]D:800 |
21 |
1 |
618 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
22549 |
183.2 |
1.9 |
0.656 |
8 |
0 |
0 |
0.048 |
Average: |
185.9 |
1.9 |
0.647 |
8 |
0 |
0 |
0.048 |
13 |
30 |
|
C |
18 |
6 |
22528 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
6 |
22549 |
174.7 |
0.2 |
0.599 |
1 |
0 |
0 |
0.000 |
14 |
31 |
|
C |
18 |
7 |
22528 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
16 |
5 |
22429 |
123.4 |
0.1 |
0.581 |
2 |
2 |
0 |
0.000 |
15 |
32 |
|
[DGT]C:800 |
14 |
1 |
619 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
22549 |
108.5 |
0.5 |
0.532 |
1 |
0 |
0 |
0.000 |
33 |
|
[DGT]D:800 |
14 |
1 |
618 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
22429 |
106.0 |
0.5 |
0.517 |
1 |
0 |
0 |
0.000 |
Average: |
107.3 |
0.5 |
0.524 |
1 |
0 |
0 |
0.000 |
16 |
34 |
|
[DGT]A:800 |
14 |
1 |
619 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
22441 |
107.4 |
0.6 |
0.537 |
1 |
0 |
0 |
0.000 |
35 |
|
[DGT]B:800 |
13 |
1 |
616 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
22528 |
107.0 |
0.6 |
0.538 |
1 |
0 |
0 |
0.000 |
Average: |
107.2 |
0.6 |
0.538 |
1 |
0 |
0 |
0.000 |
17 |
36 |
|
[DGT]D:900 |
13 |
1 |
581 |
f |
[DGT]D:800 |
x,y,z |
1_555 |
12 |
1 |
618 |
91.1 |
-0.7 |
0.374 |
0 |
0 |
0 |
0.019 |
37 |
|
[DGT]C:900 |
11 |
1 |
583 |
f |
[DGT]C:800 |
x,y,z |
1_555 |
12 |
1 |
619 |
90.9 |
-0.6 |
0.377 |
0 |
0 |
0 |
0.019 |
38 |
|
[DGT]B:900 |
13 |
1 |
584 |
f |
[DGT]B:800 |
x,y,z |
1_555 |
12 |
1 |
616 |
89.9 |
-0.7 |
0.364 |
0 |
0 |
0 |
0.019 |
39 |
|
[DGT]A:900 |
13 |
1 |
584 |
f |
[DGT]A:800 |
x,y,z |
1_555 |
11 |
1 |
619 |
89.4 |
-0.7 |
0.365 |
0 |
0 |
0 |
0.019 |
Average: |
90.3 |
-0.7 |
0.370 |
0 |
0 |
0 |
0.019 |
18 |
40 |
|
A |
8 |
4 |
22429 |
x |
A |
-x,y-1/2,-z |
2_545 |
11 |
2 |
22429 |
79.9 |
-1.2 |
0.204 |
0 |
0 |
0 |
0.000 |
19 |
41 |
|
A |
10 |
4 |
22429 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
22549 |
69.4 |
-0.0 |
0.573 |
1 |
0 |
0 |
0.000 |
20 |
42 |
|
[MG]A:750 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
22429 |
41.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.110 |
43 |
|
[MG]C:750 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
22528 |
41.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.110 |
44 |
|
[MG]B:750 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22549 |
41.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.110 |
45 |
|
[MG]D:750 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
22441 |
41.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
41.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.110 |
21 |
46 |
|
[MG]D:750 |
1 |
1 |
98 |
f |
[DGT]D:700 |
x,y,z |
1_555 |
4 |
1 |
614 |
38.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.226 |
47 |
|
[MG]C:750 |
1 |
1 |
98 |
f |
[DGT]C:700 |
x,y,z |
1_555 |
3 |
1 |
616 |
38.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.226 |
48 |
|
[MG]B:750 |
1 |
1 |
98 |
f |
[DGT]B:700 |
x,y,z |
1_555 |
5 |
1 |
613 |
38.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.226 |
49 |
|
[MG]A:750 |
1 |
1 |
98 |
f |
[DGT]A:700 |
x,y,z |
1_555 |
4 |
1 |
614 |
37.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.226 |
50 |
|
[MG]C:850 |
1 |
1 |
98 |
f |
[DGT]C:800 |
x,y,z |
1_555 |
3 |
1 |
619 |
27.5 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.226 |
51 |
|
[MG]D:850 |
1 |
1 |
98 |
f |
[DGT]D:800 |
x,y,z |
1_555 |
4 |
1 |
618 |
27.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.226 |
52 |
|
[MG]B:850 |
1 |
1 |
98 |
f |
[DGT]B:800 |
x,y,z |
1_555 |
3 |
1 |
616 |
27.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.226 |
53 |
|
[MG]A:850 |
1 |
1 |
98 |
f |
[DGT]A:800 |
x,y,z |
1_555 |
3 |
1 |
619 |
27.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
32.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.226 |
22 |
54 |
|
[DGT]A:900 |
4 |
1 |
584 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22528 |
34.3 |
1.3 |
0.667 |
2 |
0 |
0 |
0.000 |
55 |
|
[DGT]B:900 |
5 |
1 |
584 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22441 |
32.2 |
1.2 |
0.637 |
2 |
0 |
0 |
0.000 |
56 |
|
[DGT]D:900 |
4 |
1 |
581 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22549 |
30.6 |
1.4 |
0.662 |
2 |
0 |
0 |
0.000 |
57 |
|
[DGT]C:900 |
4 |
1 |
583 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22429 |
29.7 |
1.4 |
0.671 |
2 |
0 |
0 |
0.000 |
Average: |
31.7 |
1.3 |
0.659 |
2 |
0 |
0 |
0.000 |
23 |
58 |
|
C |
5 |
3 |
22528 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
6 |
4 |
22549 |
31.7 |
1.3 |
0.842 |
0 |
0 |
0 |
0.000 |
24 |
59 |
|
[DGT]D:900 |
5 |
1 |
581 |
f |
[MG]D:850 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.119 |
60 |
|
[DGT]B:900 |
5 |
1 |
584 |
f |
[MG]B:850 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.119 |
61 |
|
[DGT]C:900 |
5 |
1 |
583 |
f |
[MG]C:850 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.119 |
62 |
|
[DGT]A:900 |
5 |
1 |
584 |
f |
[MG]A:850 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
31.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.119 |
25 |
63 |
|
A |
4 |
2 |
22429 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
1 |
22441 |
19.3 |
0.2 |
0.621 |
0 |
0 |
0 |
0.000 |
26 |
64 |
|
[MG]A:850 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22441 |
14.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.017 |
65 |
|
[MG]D:850 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22429 |
14.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.017 |
66 |
|
[MG]B:850 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
22528 |
14.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
67 |
|
[MG]C:850 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
22549 |
14.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
14.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.017 |
27 |
68 |
|
[MG]A:850 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22528 |
12.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
69 |
|
[MG]B:850 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22441 |
12.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
70 |
|
[MG]D:850 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22549 |
11.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
71 |
|
[MG]C:850 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22429 |
11.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
12.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.011 |
28 |
72 |
|
C |
2 |
1 |
22528 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
22429 |
8.8 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
29 |
73 |
|
[MG]D:850 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
22441 |
5.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
74 |
|
[MG]B:850 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
22549 |
4.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
75 |
|
[MG]C:850 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
22528 |
4.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
76 |
|
[MG]A:850 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
22429 |
4.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
4.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
|