## |
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 |
112 |
29 |
14014 |
◊ |
A |
x,y,z |
1_555 |
112 |
29 |
14142 |
1067.7 |
-5.7 |
0.357 |
11 |
5 |
0 |
0.183 |
2 |
|
D |
103 |
30 |
14069 |
◊ |
C |
x,y,z |
1_555 |
106 |
29 |
13875 |
996.9 |
-6.4 |
0.293 |
9 |
6 |
0 |
0.183 |
Average: |
1032.3 |
-6.1 |
0.325 |
10 |
6 |
0 |
0.183 |
2 |
3 |
|
D |
86 |
25 |
14069 |
◊ |
A |
x,y,z |
1_555 |
86 |
24 |
14142 |
829.5 |
0.6 |
0.686 |
19 |
33 |
0 |
0.159 |
4 |
|
C |
75 |
24 |
13875 |
◊ |
B |
x,y,z |
1_555 |
74 |
21 |
14014 |
771.9 |
0.0 |
0.651 |
16 |
21 |
0 |
0.159 |
Average: |
800.7 |
0.3 |
0.669 |
18 |
27 |
0 |
0.159 |
3 |
5 |
|
[NAD]C:311 |
43 |
1 |
838 |
f |
C |
x,y,z |
1_555 |
71 |
30 |
13875 |
550.5 |
-7.7 |
0.258 |
9 |
0 |
0 |
0.358 |
6 |
|
[NAD]B:311 |
43 |
1 |
844 |
f |
B |
x,y,z |
1_555 |
69 |
30 |
14014 |
546.3 |
-6.4 |
0.362 |
9 |
0 |
0 |
0.358 |
7 |
|
[NAD]D:311 |
43 |
1 |
846 |
f |
D |
x,y,z |
1_555 |
67 |
28 |
14069 |
545.4 |
-7.7 |
0.188 |
8 |
0 |
0 |
0.358 |
8 |
|
[NAD]A:311 |
43 |
1 |
843 |
f |
A |
x,y,z |
1_555 |
70 |
31 |
14142 |
543.2 |
-7.4 |
0.266 |
8 |
0 |
0 |
0.358 |
Average: |
546.3 |
-7.3 |
0.268 |
9 |
0 |
0 |
0.358 |
4 |
9 |
|
A |
40 |
11 |
14142 |
◊ |
C |
x-1,y,z |
1_455 |
39 |
10 |
13875 |
385.2 |
0.1 |
0.623 |
7 |
1 |
0 |
0.000 |
10 |
|
B |
41 |
12 |
14014 |
◊ |
D |
x-1,y,z |
1_455 |
37 |
13 |
14069 |
340.5 |
0.9 |
0.710 |
6 |
2 |
0 |
0.000 |
Average: |
362.9 |
0.5 |
0.667 |
7 |
2 |
0 |
0.000 |
5 |
11 |
|
A |
33 |
10 |
14142 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
42 |
14 |
13875 |
349.4 |
-0.1 |
0.636 |
4 |
6 |
0 |
0.000 |
12 |
|
D |
43 |
13 |
14069 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
8 |
14014 |
325.8 |
0.3 |
0.662 |
4 |
6 |
0 |
0.000 |
Average: |
337.6 |
0.1 |
0.649 |
4 |
6 |
0 |
0.000 |
6 |
13 |
|
A |
30 |
9 |
14142 |
◊ |
B |
x,y-1,z |
1_545 |
35 |
10 |
14014 |
277.8 |
0.8 |
0.698 |
5 |
0 |
0 |
0.000 |
7 |
14 |
|
D |
25 |
8 |
14069 |
◊ |
C |
x,y-1,z |
1_545 |
25 |
9 |
13875 |
209.9 |
0.3 |
0.666 |
3 |
0 |
0 |
0.000 |
8 |
15 |
|
[AKG]D:312 |
10 |
1 |
284 |
f |
D |
x,y,z |
1_555 |
25 |
11 |
14069 |
162.7 |
1.0 |
0.522 |
8 |
0 |
0 |
0.067 |
16 |
|
[AKG]A:312 |
10 |
1 |
284 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
14142 |
160.6 |
2.1 |
0.586 |
9 |
0 |
0 |
0.067 |
17 |
|
[AKG]B:312 |
10 |
1 |
285 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
14014 |
154.2 |
2.1 |
0.586 |
10 |
0 |
0 |
0.067 |
Average: |
159.2 |
1.7 |
0.564 |
9 |
0 |
0 |
0.067 |
9 |
18 |
|
[AKG]C:312 |
10 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
23 |
12 |
13875 |
156.6 |
2.5 |
0.620 |
8 |
0 |
0 |
0.016 |
10 |
19 |
|
[EDO]B:313 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
15 |
8 |
14014 |
94.4 |
3.5 |
0.511 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
[EDO]C:313 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14014 |
64.2 |
1.8 |
0.246 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
[AKG]A:312 |
6 |
1 |
284 |
f |
[NAD]A:311 |
x,y,z |
1_555 |
9 |
1 |
843 |
63.5 |
-0.4 |
0.454 |
0 |
0 |
0 |
0.014 |
22 |
|
[AKG]D:312 |
6 |
1 |
284 |
f |
[NAD]D:311 |
x,y,z |
1_555 |
9 |
1 |
846 |
62.5 |
-0.4 |
0.450 |
0 |
0 |
0 |
0.014 |
23 |
|
[AKG]B:312 |
7 |
1 |
285 |
f |
[NAD]B:311 |
x,y,z |
1_555 |
9 |
1 |
844 |
62.2 |
-0.4 |
0.446 |
0 |
0 |
0 |
0.014 |
Average: |
62.7 |
-0.4 |
0.450 |
0 |
0 |
0 |
0.014 |
13 |
24 |
|
[EDO]B:314 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
13875 |
63.2 |
1.8 |
0.246 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[AKG]C:312 |
7 |
1 |
279 |
f |
[NAD]C:311 |
x,y,z |
1_555 |
9 |
1 |
838 |
63.0 |
0.5 |
0.529 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[NAD]A:311 |
7 |
1 |
843 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
14014 |
59.1 |
-3.0 |
0.261 |
1 |
0 |
0 |
0.102 |
27 |
|
[NAD]B:311 |
7 |
1 |
844 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
14142 |
57.5 |
-2.9 |
0.266 |
0 |
0 |
0 |
0.102 |
28 |
|
[NAD]D:311 |
7 |
1 |
846 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
13875 |
54.7 |
-1.9 |
0.392 |
0 |
0 |
0 |
0.102 |
29 |
|
[NAD]C:311 |
6 |
1 |
838 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
14069 |
41.2 |
-2.3 |
0.322 |
0 |
0 |
0 |
0.102 |
Average: |
53.1 |
-2.5 |
0.310 |
0 |
0 |
0 |
0.102 |
16 |
30 |
|
[CL]A:313 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
14142 |
59.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.261 |
31 |
|
[CL]D:313 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
14069 |
58.1 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.261 |
32 |
|
[CL]B:315 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
14014 |
50.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.261 |
33 |
|
[CL]C:314 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
13875 |
50.0 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.261 |
Average: |
54.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.261 |
17 |
34 |
|
D |
5 |
1 |
14069 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
14014 |
52.4 |
0.8 |
0.782 |
1 |
1 |
0 |
0.000 |
35 |
|
A |
8 |
3 |
14142 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
1 |
13875 |
48.2 |
0.6 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
50.3 |
0.7 |
0.761 |
1 |
1 |
0 |
0.000 |
18 |
36 |
|
[NAD]D:311 |
4 |
1 |
846 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
14142 |
50.4 |
1.3 |
0.837 |
1 |
0 |
0 |
0.000 |
37 |
|
[NAD]C:311 |
3 |
1 |
838 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14014 |
42.4 |
1.2 |
0.838 |
1 |
0 |
0 |
0.000 |
38 |
|
[NAD]A:311 |
4 |
1 |
843 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
14069 |
41.5 |
1.1 |
0.816 |
1 |
0 |
0 |
0.000 |
39 |
|
[NAD]B:311 |
3 |
1 |
844 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
13875 |
40.6 |
1.1 |
0.824 |
1 |
0 |
0 |
0.000 |
Average: |
43.7 |
1.2 |
0.829 |
1 |
0 |
0 |
0.000 |
19 |
40 |
|
[EDO]B:314 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
14142 |
45.4 |
0.1 |
0.565 |
0 |
0 |
0 |
0.000 |
20 |
41 |
|
[EDO]C:313 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
14069 |
42.2 |
0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
21 |
42 |
|
[EDO]C:313 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
13875 |
42.0 |
1.2 |
0.585 |
1 |
0 |
0 |
0.000 |
22 |
43 |
|
[EDO]B:314 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
14014 |
39.5 |
1.0 |
0.568 |
1 |
0 |
0 |
0.000 |
23 |
44 |
|
D |
3 |
2 |
14069 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
4 |
14069 |
34.3 |
0.6 |
0.540 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
[CL]D:313 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13875 |
32.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.086 |
46 |
|
[CL]A:313 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14014 |
31.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.086 |
47 |
|
[CL]B:315 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14142 |
29.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.086 |
48 |
|
[CL]C:314 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14069 |
28.8 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.086 |
Average: |
30.5 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.086 |
25 |
49 |
|
[EDO]B:314 |
2 |
1 |
184 |
f |
[CL]B:315 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.024 |
26 |
50 |
|
[EDO]C:313 |
2 |
1 |
184 |
f |
[CL]C:314 |
x,y,z |
1_555 |
1 |
1 |
125 |
21.8 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.024 |
27 |
51 |
|
[EDO]B:313 |
1 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
14142 |
20.0 |
0.0 |
0.613 |
0 |
0 |
0 |
0.000 |
28 |
52 |
|
[EDO]B:313 |
1 |
1 |
184 |
◊ |
[AKG]B:312 |
x,y,z |
1_555 |
1 |
1 |
285 |
18.4 |
0.8 |
0.387 |
0 |
0 |
0 |
0.000 |
29 |
53 |
|
[CL]B:315 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13875 |
6.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.012 |
54 |
|
[CL]C:314 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14014 |
6.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.012 |
55 |
|
[CL]D:313 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14142 |
5.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
56 |
|
[CL]A:313 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
14069 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
5.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.012 |
30 |
57 |
|
D |
2 |
2 |
14069 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14014 |
5.1 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
1 |
1 |
13875 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14142 |
4.5 |
-0.0 |
0.504 |
0 |
0 |
0 |
0.000 |
Average: |
4.8 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
|