## |
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 |
|
D |
139 |
40 |
8349 |
◊ |
C |
x,y,z |
1_555 |
121 |
27 |
12076 |
1251.2 |
-9.3 |
0.448 |
17 |
2 |
0 |
0.214 |
2 |
|
B |
136 |
38 |
8350 |
◊ |
A |
x,y,z |
1_555 |
120 |
27 |
12071 |
1246.0 |
-8.9 |
0.464 |
17 |
2 |
0 |
0.214 |
3 |
|
F |
132 |
39 |
8318 |
◊ |
E |
x,y,z |
1_555 |
118 |
27 |
12038 |
1241.7 |
-9.4 |
0.441 |
20 |
1 |
0 |
0.214 |
4 |
|
H |
137 |
40 |
8338 |
◊ |
G |
x,y,z |
1_555 |
120 |
26 |
12060 |
1235.7 |
-9.3 |
0.447 |
18 |
2 |
0 |
0.214 |
Average: |
1243.7 |
-9.2 |
0.450 |
18 |
2 |
0 |
0.214 |
2 |
5 |
|
[HEC]A:1263 |
43 |
1 |
811 |
cf |
A |
x,y,z |
1_555 |
79 |
33 |
12071 |
604.2 |
-22.8 |
0.221 |
4 |
0 |
0 |
0.286 |
6 |
|
[HEC]C:1263 |
43 |
1 |
809 |
cf |
C |
x,y,z |
1_555 |
80 |
34 |
12076 |
602.8 |
-21.5 |
0.331 |
4 |
0 |
0 |
0.286 |
7 |
|
[HEC]G:1263 |
43 |
1 |
809 |
cf |
G |
x,y,z |
1_555 |
77 |
32 |
12060 |
598.8 |
-21.7 |
0.296 |
5 |
0 |
0 |
0.286 |
8 |
|
[HEC]E:1263 |
43 |
1 |
812 |
cf |
E |
x,y,z |
1_555 |
81 |
33 |
12038 |
598.2 |
-21.6 |
0.322 |
5 |
0 |
0 |
0.286 |
Average: |
601.0 |
-21.9 |
0.293 |
5 |
0 |
0 |
0.286 |
3 |
9 |
|
[HEC]F:1139 |
43 |
1 |
825 |
cf |
F |
x,y,z |
1_555 |
63 |
26 |
8318 |
554.4 |
-21.3 |
0.193 |
3 |
0 |
0 |
0.268 |
10 |
|
[HEC]H:1139 |
43 |
1 |
823 |
cf |
H |
x,y,z |
1_555 |
64 |
26 |
8338 |
554.2 |
-21.3 |
0.192 |
4 |
0 |
0 |
0.268 |
11 |
|
[HEC]B:1139 |
43 |
1 |
823 |
cf |
B |
x,y,z |
1_555 |
65 |
26 |
8350 |
554.0 |
-21.2 |
0.198 |
4 |
0 |
0 |
0.268 |
12 |
|
[HEC]D:1139 |
43 |
1 |
823 |
cf |
D |
x,y,z |
1_555 |
65 |
26 |
8349 |
553.3 |
-21.1 |
0.189 |
3 |
0 |
0 |
0.268 |
Average: |
553.9 |
-21.2 |
0.193 |
4 |
0 |
0 |
0.268 |
4 |
13 |
|
[HEC]A:1262 |
42 |
1 |
837 |
cf |
A |
x,y,z |
1_555 |
59 |
24 |
12071 |
522.9 |
-18.9 |
0.195 |
2 |
0 |
0 |
0.232 |
14 |
|
[HEC]C:1262 |
42 |
1 |
826 |
cf |
C |
x,y,z |
1_555 |
59 |
24 |
12076 |
514.7 |
-18.7 |
0.198 |
2 |
0 |
0 |
0.232 |
15 |
|
[HEC]G:1262 |
42 |
1 |
831 |
cf |
G |
x,y,z |
1_555 |
59 |
23 |
12060 |
510.5 |
-18.6 |
0.200 |
2 |
0 |
0 |
0.232 |
16 |
|
[HEC]E:1262 |
42 |
1 |
830 |
cf |
E |
x,y,z |
1_555 |
56 |
23 |
12038 |
509.9 |
-18.6 |
0.197 |
2 |
0 |
0 |
0.232 |
Average: |
514.5 |
-18.7 |
0.198 |
2 |
0 |
0 |
0.232 |
5 |
17 |
|
A |
42 |
11 |
12071 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
46 |
11 |
12060 |
437.8 |
-2.8 |
0.328 |
4 |
6 |
0 |
0.000 |
18 |
|
E |
47 |
11 |
12038 |
◊ |
C |
x,y,z |
1_555 |
40 |
10 |
12076 |
424.8 |
-2.5 |
0.376 |
4 |
5 |
0 |
0.000 |
Average: |
431.3 |
-2.7 |
0.352 |
4 |
6 |
0 |
0.000 |
6 |
19 |
|
B |
54 |
14 |
8350 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
51 |
16 |
12060 |
437.5 |
-1.0 |
0.607 |
6 |
7 |
0 |
0.000 |
20 |
|
D |
54 |
14 |
8349 |
◊ |
E |
x,y,z |
1_555 |
42 |
15 |
12038 |
419.2 |
-1.1 |
0.574 |
3 |
8 |
0 |
0.000 |
Average: |
428.3 |
-1.1 |
0.590 |
5 |
8 |
0 |
0.000 |
7 |
21 |
|
F |
26 |
7 |
8318 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
36 |
11 |
8338 |
280.3 |
-1.1 |
0.606 |
2 |
0 |
0 |
0.000 |
8 |
22 |
|
F |
24 |
11 |
8318 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
32 |
11 |
12076 |
258.2 |
-1.5 |
0.537 |
3 |
0 |
0 |
0.000 |
23 |
|
A |
34 |
11 |
12071 |
◊ |
H |
x,y-1,z |
1_545 |
24 |
11 |
8338 |
251.3 |
-1.6 |
0.529 |
3 |
0 |
0 |
0.000 |
Average: |
254.7 |
-1.5 |
0.533 |
3 |
0 |
0 |
0.000 |
9 |
24 |
|
B |
28 |
10 |
8350 |
◊ |
E |
x-1,y,z |
1_455 |
26 |
7 |
12038 |
253.6 |
-2.0 |
0.477 |
6 |
0 |
0 |
0.000 |
25 |
|
D |
30 |
10 |
8349 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
28 |
7 |
12060 |
252.3 |
-1.8 |
0.510 |
6 |
0 |
0 |
0.000 |
Average: |
252.9 |
-1.9 |
0.494 |
6 |
0 |
0 |
0.000 |
10 |
26 |
|
A |
20 |
7 |
12071 |
◊ |
G |
x,y-1,z |
1_545 |
23 |
8 |
12060 |
210.6 |
3.0 |
0.878 |
5 |
4 |
0 |
0.000 |
27 |
|
E |
24 |
8 |
12038 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
21 |
7 |
12076 |
209.8 |
3.0 |
0.890 |
4 |
4 |
0 |
0.000 |
Average: |
210.2 |
3.0 |
0.884 |
5 |
4 |
0 |
0.000 |
11 |
28 |
|
A |
25 |
9 |
12071 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
7 |
8338 |
182.8 |
-1.6 |
0.448 |
1 |
0 |
0 |
0.000 |
12 |
29 |
|
E |
14 |
5 |
12038 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
3 |
8338 |
115.8 |
0.3 |
0.715 |
1 |
0 |
0 |
0.000 |
30 |
|
F |
10 |
2 |
8318 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
14 |
6 |
12060 |
112.2 |
0.2 |
0.707 |
1 |
0 |
0 |
0.000 |
Average: |
114.0 |
0.2 |
0.711 |
1 |
0 |
0 |
0.000 |
13 |
31 |
|
H |
10 |
4 |
8338 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
8350 |
112.5 |
-1.4 |
0.401 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
15 |
5 |
8349 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
8318 |
108.9 |
-1.3 |
0.444 |
0 |
0 |
0 |
0.000 |
Average: |
110.7 |
-1.3 |
0.422 |
0 |
0 |
0 |
0.000 |
14 |
33 |
|
[HEC]A:1262 |
15 |
1 |
837 |
◊ |
H |
x,y-1,z |
1_545 |
11 |
5 |
8338 |
97.8 |
-2.1 |
0.852 |
0 |
0 |
0 |
0.000 |
34 |
|
F |
12 |
5 |
8318 |
◊ |
[HEC]C:1262 |
-x+1,y-1/2,-z |
2_645 |
16 |
1 |
826 |
97.1 |
-2.2 |
0.822 |
0 |
0 |
0 |
0.000 |
Average: |
97.4 |
-2.1 |
0.837 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
G |
6 |
4 |
12060 |
◊ |
E |
x-1,y,z |
1_455 |
6 |
4 |
12038 |
81.1 |
-2.4 |
0.062 |
0 |
0 |
0 |
0.000 |
16 |
36 |
|
[HEC]D:1139 |
7 |
1 |
823 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
12076 |
66.1 |
-1.7 |
0.614 |
0 |
0 |
0 |
0.020 |
37 |
|
[HEC]H:1139 |
6 |
1 |
823 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
12060 |
65.2 |
-1.6 |
0.583 |
0 |
0 |
0 |
0.020 |
38 |
|
[HEC]F:1139 |
5 |
1 |
825 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
12038 |
63.8 |
-1.6 |
0.550 |
0 |
0 |
0 |
0.020 |
39 |
|
[HEC]B:1139 |
6 |
1 |
823 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12071 |
63.7 |
-1.6 |
0.564 |
0 |
0 |
0 |
0.020 |
Average: |
64.7 |
-1.6 |
0.578 |
0 |
0 |
0 |
0.020 |
17 |
40 |
|
D |
7 |
4 |
8349 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
12071 |
62.3 |
0.2 |
0.463 |
0 |
0 |
0 |
0.000 |
18 |
41 |
|
B |
7 |
4 |
8350 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
8338 |
55.7 |
-0.6 |
0.537 |
0 |
0 |
0 |
0.000 |
19 |
42 |
|
B |
8 |
4 |
8350 |
◊ |
[HEC]E:1262 |
x-1,y,z |
1_455 |
6 |
1 |
830 |
53.3 |
-1.3 |
0.735 |
0 |
0 |
0 |
0.000 |
43 |
|
D |
7 |
3 |
8349 |
◊ |
[HEC]G:1262 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
831 |
52.0 |
-1.3 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
52.7 |
-1.3 |
0.714 |
0 |
0 |
0 |
0.000 |
20 |
44 |
|
A |
3 |
1 |
12071 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
8350 |
34.5 |
0.8 |
0.857 |
0 |
0 |
0 |
0.000 |
21 |
45 |
|
C |
2 |
1 |
12076 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
2 |
8318 |
29.9 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
22 |
46 |
|
[HEC]A:1262 |
2 |
1 |
837 |
◊ |
G |
x,y-1,z |
1_545 |
2 |
1 |
12060 |
24.3 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
47 |
|
E |
4 |
2 |
12038 |
◊ |
[HEC]C:1262 |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
826 |
21.0 |
-0.0 |
0.817 |
0 |
0 |
0 |
0.000 |
Average: |
22.7 |
-0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
23 |
48 |
|
F |
1 |
1 |
8318 |
◊ |
G |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
12060 |
6.5 |
-0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
24 |
49 |
|
[HEC]H:1139 |
1 |
1 |
823 |
◊ |
[HEC]G:1263 |
x,y,z |
1_555 |
1 |
1 |
809 |
5.1 |
-0.2 |
0.697 |
0 |
0 |
0 |
0.002 |
50 |
|
[HEC]D:1139 |
1 |
1 |
823 |
◊ |
[HEC]C:1263 |
x,y,z |
1_555 |
1 |
1 |
809 |
4.8 |
-0.2 |
0.721 |
0 |
0 |
0 |
0.002 |
51 |
|
[HEC]B:1139 |
1 |
1 |
823 |
◊ |
[HEC]A:1263 |
x,y,z |
1_555 |
1 |
1 |
811 |
4.6 |
-0.1 |
0.732 |
0 |
0 |
0 |
0.002 |
52 |
|
[HEC]F:1139 |
1 |
1 |
825 |
◊ |
[HEC]E:1263 |
x,y,z |
1_555 |
1 |
1 |
812 |
4.2 |
-0.1 |
0.814 |
0 |
0 |
0 |
0.002 |
Average: |
4.7 |
-0.1 |
0.741 |
0 |
0 |
0 |
0.002 |
25 |
53 |
|
C |
1 |
1 |
12076 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
12038 |
4.5 |
0.1 |
0.798 |
0 |
0 |
0 |
0.000 |
26 |
54 |
|
A |
1 |
1 |
12071 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
8350 |
2.2 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
55 |
|
D |
1 |
1 |
8349 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
12076 |
0.4 |
0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
C |
1 |
1 |
12076 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
2 |
1 |
12060 |
2.1 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
1 |
1 |
12071 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
12038 |
0.8 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
Average: |
1.4 |
-0.0 |
0.506 |
0 |
0 |
0 |
0.000 |
|