| ## |
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 |
397 |
100 |
17895 |
◊ |
C |
x,y,z |
1_555 |
388 |
98 |
18335 |
3674.4 |
-27.1 |
0.222 |
58 |
21 |
0 |
0.230 |
2 |
|
B |
394 |
99 |
18450 |
◊ |
A |
x,y,z |
1_555 |
383 |
94 |
17766 |
3604.7 |
-28.4 |
0.274 |
61 |
24 |
0 |
0.230 |
| Average: |
3639.6 |
-27.8 |
0.248 |
60 |
23 |
0 |
0.230 |
| 2 |
3 |
|
D |
67 |
21 |
17895 |
◊ |
B |
x,y,z |
1_555 |
60 |
18 |
18450 |
591.7 |
0.1 |
0.739 |
6 |
2 |
0 |
0.004 |
4 |
|
C |
54 |
20 |
18335 |
◊ |
A |
x,y,z |
1_555 |
56 |
20 |
17766 |
500.6 |
2.9 |
0.869 |
6 |
3 |
0 |
0.004 |
| Average: |
546.2 |
1.5 |
0.804 |
6 |
3 |
0 |
0.004 |
| 3 |
5 |
|
C |
43 |
15 |
18335 |
◊ |
B |
x,y,z |
1_555 |
44 |
16 |
18450 |
406.7 |
-1.1 |
0.550 |
4 |
8 |
0 |
0.014 |
| 4 |
6 |
|
A |
35 |
11 |
17766 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
37 |
11 |
18450 |
307.1 |
0.9 |
0.788 |
4 |
4 |
0 |
0.000 |
| 5 |
7 |
|
B |
24 |
7 |
18450 |
◊ |
C |
x-1,y,z |
1_455 |
31 |
10 |
18335 |
286.0 |
-2.7 |
0.275 |
2 |
0 |
0 |
0.000 |
| 6 |
8 |
|
D |
37 |
11 |
17895 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
22 |
7 |
18335 |
269.5 |
1.9 |
0.839 |
4 |
7 |
0 |
0.000 |
| 7 |
9 |
|
D |
29 |
12 |
17895 |
◊ |
A |
x,y,z |
1_555 |
30 |
13 |
17766 |
249.1 |
-1.4 |
0.486 |
0 |
0 |
0 |
0.005 |
| 8 |
10 |
|
D |
31 |
9 |
17895 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
21 |
5 |
17766 |
224.9 |
0.8 |
0.601 |
2 |
0 |
0 |
0.000 |
| 9 |
11 |
|
D |
27 |
8 |
17895 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
9 |
18335 |
211.3 |
-1.0 |
0.560 |
1 |
0 |
0 |
0.000 |
| 10 |
12 |
|
C |
26 |
10 |
18335 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
9 |
18450 |
171.1 |
1.5 |
0.803 |
2 |
2 |
0 |
0.000 |
| 11 |
13 |
|
A |
18 |
6 |
17766 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
18 |
6 |
18450 |
155.9 |
-1.6 |
0.431 |
0 |
0 |
0 |
0.000 |
| 12 |
14 |
|
A |
15 |
3 |
17766 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
3 |
18450 |
118.5 |
0.8 |
0.777 |
1 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[K]A:505 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17766 |
116.9 |
-87.2 |
0.000 |
0 |
0 |
0 |
0.718 |
16 |
|
[K]C:503 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
18335 |
116.8 |
-89.9 |
0.000 |
0 |
0 |
0 |
0.718 |
17 |
|
[K]B:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
18450 |
115.5 |
-84.4 |
0.000 |
0 |
0 |
0 |
0.718 |
18 |
|
[K]D:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
17895 |
114.8 |
-85.5 |
0.000 |
0 |
0 |
0 |
0.718 |
| Average: |
116.0 |
-86.8 |
0.000 |
0 |
0 |
0 |
0.718 |
| 14 |
19 |
|
[K]B:504 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
31 |
9 |
18450 |
116.5 |
-66.1 |
0.000 |
0 |
0 |
0 |
0.226 |
| 15 |
20 |
|
[SCN]B:501 |
3 |
1 |
178 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
18450 |
104.6 |
-4.2 |
0.320 |
1 |
0 |
0 |
0.016 |
| 16 |
21 |
|
[TME]D:503 |
3 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
17895 |
103.7 |
3.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
[SCN]C:501 |
3 |
1 |
177 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
17895 |
96.6 |
-5.4 |
0.088 |
1 |
0 |
0 |
0.024 |
| 18 |
23 |
|
[SCN]B:502 |
3 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
18450 |
95.8 |
-3.4 |
0.474 |
1 |
0 |
0 |
0.013 |
| 19 |
24 |
|
[SCN]C:502 |
3 |
1 |
178 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
18335 |
95.5 |
-3.3 |
0.468 |
1 |
0 |
0 |
0.016 |
| 20 |
25 |
|
[SCN]D:501 |
3 |
1 |
177 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
18335 |
90.4 |
-4.9 |
0.179 |
1 |
0 |
0 |
0.022 |
| 21 |
26 |
|
[TME]B:506 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
18450 |
90.2 |
4.5 |
0.941 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[SCN]A:503 |
3 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
17766 |
90.2 |
-2.3 |
0.634 |
2 |
0 |
0 |
0.012 |
| 23 |
28 |
|
[TME]B:505 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
18450 |
89.8 |
3.5 |
0.736 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[TME]B:507 |
3 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
18450 |
89.5 |
3.9 |
0.802 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[TME]A:507 |
3 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
17766 |
83.9 |
3.1 |
0.660 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[SCN]A:502 |
3 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
17766 |
78.3 |
-1.7 |
0.636 |
1 |
0 |
0 |
0.008 |
| 27 |
32 |
|
[K]A:506 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
17895 |
71.4 |
-42.7 |
0.000 |
0 |
0 |
0 |
0.315 |
33 |
|
[K]A:506 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
17766 |
69.4 |
-42.4 |
0.000 |
0 |
0 |
0 |
0.315 |
| Average: |
70.4 |
-42.5 |
0.000 |
0 |
0 |
0 |
0.315 |
| 28 |
34 |
|
[TME]A:507 |
3 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18450 |
65.5 |
2.3 |
0.742 |
0 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[SCN]A:502 |
3 |
1 |
179 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
18450 |
63.5 |
-1.2 |
0.625 |
0 |
0 |
0 |
0.003 |
| 30 |
36 |
|
[SCN]A:501 |
3 |
1 |
177 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
17766 |
60.6 |
-0.5 |
0.692 |
0 |
0 |
0 |
0.001 |
| 31 |
37 |
|
[SCN]A:501 |
3 |
1 |
177 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
18450 |
54.3 |
-1.2 |
0.709 |
0 |
0 |
0 |
0.004 |
| 32 |
38 |
|
[SCN]D:501 |
3 |
1 |
177 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
17895 |
53.1 |
-0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[SCN]C:501 |
3 |
1 |
177 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
18335 |
51.1 |
-0.5 |
0.607 |
0 |
0 |
0 |
0.002 |
| 34 |
40 |
|
[K]B:504 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17766 |
49.1 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.069 |
| 35 |
41 |
|
[SCN]A:504 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
17766 |
48.6 |
-1.4 |
0.640 |
0 |
0 |
0 |
0.005 |
| 36 |
42 |
|
[SCN]A:504 |
3 |
1 |
178 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
18335 |
47.1 |
-0.3 |
0.664 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[SCN]A:504 |
3 |
1 |
178 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
17895 |
44.9 |
-1.2 |
0.656 |
0 |
0 |
0 |
0.004 |
| 38 |
44 |
|
D |
5 |
3 |
17895 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
18450 |
41.4 |
0.4 |
0.765 |
1 |
1 |
0 |
0.000 |
| 39 |
45 |
|
[SCN]A:504 |
3 |
1 |
178 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
18450 |
39.3 |
-0.4 |
0.656 |
0 |
0 |
0 |
0.001 |
| 40 |
46 |
|
[SCN]A:503 |
3 |
1 |
180 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
18450 |
37.1 |
-1.6 |
0.552 |
0 |
0 |
0 |
0.005 |
| 41 |
47 |
|
[SCN]B:501 |
3 |
1 |
178 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
17766 |
36.8 |
-0.9 |
0.599 |
0 |
0 |
0 |
0.003 |
| 42 |
48 |
|
[K]B:504 |
1 |
1 |
216 |
f |
[SCN]A:501 |
x,y,z |
1_555 |
3 |
1 |
177 |
36.4 |
-18.7 |
0.000 |
0 |
0 |
0 |
0.064 |
| 43 |
49 |
|
D |
3 |
1 |
17895 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
6 |
2 |
18450 |
33.4 |
-0.3 |
0.366 |
0 |
0 |
0 |
0.000 |
| 44 |
50 |
|
C |
4 |
1 |
18335 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
17766 |
31.7 |
-0.6 |
0.306 |
0 |
0 |
0 |
0.000 |
| 45 |
51 |
|
[K]A:506 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
18450 |
26.0 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.083 |
52 |
|
[K]A:506 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
18335 |
21.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
23.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.083 |
| 46 |
53 |
|
B |
2 |
1 |
18450 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
18335 |
23.5 |
1.0 |
0.829 |
1 |
0 |
0 |
0.000 |
| 47 |
54 |
|
C |
4 |
3 |
18335 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
18335 |
18.3 |
0.2 |
0.679 |
0 |
0 |
0 |
0.000 |
| 48 |
55 |
|
[TME]B:506 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
17766 |
15.2 |
0.5 |
0.766 |
0 |
0 |
0 |
0.000 |
| 49 |
56 |
|
D |
4 |
2 |
17895 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
17895 |
12.0 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
D |
1 |
1 |
17895 |
x |
D |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
17895 |
10.4 |
-0.1 |
0.387 |
0 |
0 |
0 |
0.000 |
| 51 |
58 |
|
[TME]B:506 |
1 |
1 |
187 |
f |
[SCN]B:501 |
x,y,z |
1_555 |
1 |
1 |
178 |
4.0 |
0.2 |
0.816 |
0 |
0 |
0 |
0.000 |
| 52 |
59 |
|
A |
1 |
1 |
17766 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
18335 |
3.1 |
-0.0 |
0.547 |
0 |
0 |
0 |
0.000 |
| 53 |
60 |
|
A |
1 |
1 |
17766 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
18335 |
1.8 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
|