## |
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 |
220 |
62 |
16556 |
◊ |
C |
x,y,z |
1_555 |
223 |
64 |
16560 |
1912.8 |
-14.6 |
0.153 |
25 |
0 |
0 |
0.134 |
2 |
|
B |
221 |
63 |
16683 |
◊ |
A |
x,y,z |
1_555 |
218 |
61 |
16552 |
1905.2 |
-15.7 |
0.122 |
24 |
0 |
0 |
0.134 |
Average: |
1909.0 |
-15.1 |
0.138 |
25 |
0 |
0 |
0.134 |
2 |
3 |
|
C |
105 |
28 |
16560 |
◊ |
A |
x,y,z |
1_555 |
103 |
29 |
16552 |
982.9 |
-5.9 |
0.292 |
6 |
5 |
0 |
0.042 |
4 |
|
D |
103 |
28 |
16556 |
◊ |
B |
x,y,z |
1_555 |
102 |
28 |
16683 |
979.3 |
-5.5 |
0.319 |
6 |
4 |
0 |
0.042 |
Average: |
981.1 |
-5.7 |
0.305 |
6 |
5 |
0 |
0.042 |
3 |
5 |
|
C |
68 |
21 |
16560 |
◊ |
B |
x,y,z |
1_555 |
67 |
22 |
16683 |
598.9 |
-2.6 |
0.437 |
10 |
0 |
0 |
0.033 |
6 |
|
D |
66 |
21 |
16556 |
◊ |
A |
x,y,z |
1_555 |
66 |
21 |
16552 |
595.2 |
-2.8 |
0.389 |
10 |
0 |
0 |
0.033 |
Average: |
597.1 |
-2.7 |
0.413 |
10 |
0 |
0 |
0.033 |
4 |
7 |
|
[LJ8]C:403 |
25 |
1 |
598 |
f |
C |
x,y,z |
1_555 |
61 |
25 |
16560 |
346.4 |
-1.4 |
0.373 |
9 |
0 |
0 |
0.058 |
8 |
|
[LJ8]A:403 |
25 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
65 |
25 |
16552 |
340.4 |
-1.4 |
0.398 |
9 |
0 |
0 |
0.058 |
9 |
|
[LJ8]B:403 |
25 |
1 |
590 |
f |
B |
x,y,z |
1_555 |
65 |
26 |
16683 |
339.6 |
-1.5 |
0.379 |
10 |
0 |
0 |
0.058 |
10 |
|
[LJ8]D:403 |
25 |
1 |
587 |
f |
D |
x,y,z |
1_555 |
64 |
25 |
16556 |
339.6 |
-1.3 |
0.401 |
10 |
0 |
0 |
0.058 |
Average: |
341.5 |
-1.4 |
0.388 |
10 |
0 |
0 |
0.058 |
5 |
11 |
|
B |
37 |
11 |
16683 |
◊ |
C |
-x-1,y-1/2,-z+2 |
2_447 |
31 |
8 |
16560 |
277.2 |
-0.2 |
0.616 |
3 |
3 |
0 |
0.000 |
6 |
12 |
|
A |
32 |
10 |
16552 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
22 |
7 |
16560 |
263.8 |
-0.7 |
0.507 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
A |
20 |
9 |
16552 |
◊ |
B |
x,y,z-1 |
1_554 |
19 |
6 |
16683 |
157.8 |
0.4 |
0.650 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
C |
16 |
5 |
16560 |
x |
C |
x-1,y,z |
1_455 |
18 |
4 |
16560 |
145.5 |
-1.6 |
0.326 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[BTB]D:405 |
11 |
1 |
346 |
◊ |
D |
x,y,z |
1_555 |
20 |
9 |
16556 |
142.1 |
3.5 |
0.200 |
3 |
0 |
0 |
0.000 |
10 |
16 |
|
[BTB]D:405 |
11 |
1 |
346 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
16552 |
129.2 |
2.9 |
0.134 |
5 |
0 |
0 |
0.000 |
11 |
17 |
|
[LJ8]C:403 |
14 |
1 |
598 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
16556 |
127.9 |
0.2 |
0.486 |
2 |
0 |
0 |
0.004 |
18 |
|
[LJ8]A:403 |
14 |
1 |
589 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
16683 |
127.5 |
0.9 |
0.636 |
2 |
0 |
0 |
0.004 |
19 |
|
[LJ8]B:403 |
14 |
1 |
590 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
16552 |
125.5 |
0.8 |
0.613 |
2 |
0 |
0 |
0.004 |
20 |
|
[LJ8]D:403 |
14 |
1 |
587 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
16560 |
124.6 |
0.8 |
0.609 |
2 |
0 |
0 |
0.004 |
Average: |
126.4 |
0.7 |
0.586 |
2 |
0 |
0 |
0.004 |
12 |
21 |
|
[ACT]B:406 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
16683 |
110.9 |
-0.8 |
0.579 |
2 |
0 |
0 |
0.009 |
22 |
|
[ACT]D:404 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
16556 |
108.7 |
-0.8 |
0.564 |
1 |
0 |
0 |
0.009 |
Average: |
109.8 |
-0.8 |
0.572 |
2 |
0 |
0 |
0.009 |
13 |
23 |
|
[ACT]C:404 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
16560 |
109.3 |
-0.8 |
0.574 |
1 |
0 |
0 |
0.006 |
24 |
|
[ACT]A:405 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16552 |
109.1 |
-0.8 |
0.580 |
1 |
0 |
0 |
0.006 |
Average: |
109.2 |
-0.8 |
0.577 |
1 |
0 |
0 |
0.006 |
14 |
25 |
|
[GOL]B:405 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
16683 |
107.1 |
-0.4 |
0.509 |
1 |
0 |
0 |
0.004 |
15 |
26 |
|
[GOL]B:404 |
6 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
16683 |
99.0 |
-0.1 |
0.561 |
3 |
0 |
0 |
0.003 |
16 |
27 |
|
[GOL]A:404 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
16552 |
93.3 |
-0.5 |
0.476 |
1 |
0 |
0 |
0.005 |
17 |
28 |
|
A |
9 |
4 |
16552 |
◊ |
C |
-x-1,y-1/2,-z+1 |
2_446 |
10 |
4 |
16560 |
89.1 |
0.3 |
0.599 |
1 |
1 |
0 |
0.000 |
18 |
29 |
|
[GOL]B:404 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
16560 |
81.7 |
-0.2 |
0.524 |
3 |
0 |
0 |
0.008 |
19 |
30 |
|
C |
9 |
4 |
16560 |
◊ |
D |
x-1,y,z |
1_455 |
9 |
4 |
16556 |
73.4 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
20 |
31 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
16552 |
32.9 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.243 |
32 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
16560 |
32.8 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.243 |
33 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
16556 |
32.6 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.243 |
34 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
16683 |
32.4 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.243 |
Average: |
32.7 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.243 |
21 |
35 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
16560 |
28.8 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.202 |
36 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
16683 |
28.7 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.202 |
37 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
16552 |
28.7 |
-20.0 |
0.000 |
0 |
0 |
0 |
0.202 |
38 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
16556 |
28.6 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.202 |
Average: |
28.7 |
-19.9 |
0.000 |
0 |
0 |
0 |
0.202 |
22 |
39 |
|
[LJ8]A:403 |
4 |
1 |
589 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.106 |
40 |
|
[LJ8]C:403 |
4 |
1 |
598 |
f |
[ZN]C:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.0 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.106 |
41 |
|
[LJ8]B:403 |
3 |
1 |
590 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.106 |
42 |
|
[LJ8]D:403 |
4 |
1 |
587 |
f |
[ZN]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
25.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.106 |
23 |
43 |
|
[LJ8]C:403 |
4 |
1 |
598 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.093 |
44 |
|
[LJ8]B:403 |
4 |
1 |
590 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.093 |
45 |
|
[LJ8]A:403 |
4 |
1 |
589 |
f |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.093 |
46 |
|
[LJ8]D:403 |
4 |
1 |
587 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.7 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
23.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.093 |
24 |
47 |
|
D |
6 |
2 |
16556 |
x |
D |
x-1,y,z |
1_455 |
2 |
2 |
16556 |
23.1 |
-0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
[ZN]B:401 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
16552 |
15.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.060 |
49 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
16683 |
15.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.060 |
50 |
|
[ZN]D:401 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
16560 |
15.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.060 |
51 |
|
[ZN]C:401 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
16556 |
15.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
15.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.060 |
26 |
52 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.044 |
27 |
53 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.044 |
28 |
54 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.043 |
29 |
55 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.043 |
30 |
56 |
|
B |
3 |
1 |
16683 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
16552 |
8.5 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
31 |
57 |
|
D |
2 |
2 |
16556 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
16560 |
5.7 |
-0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
32 |
58 |
|
[BTB]D:405 |
1 |
1 |
346 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
16683 |
5.6 |
-0.0 |
0.148 |
0 |
0 |
0 |
0.000 |
33 |
59 |
|
A |
1 |
1 |
16552 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
16556 |
0.2 |
-0.0 |
0.614 |
0 |
0 |
0 |
0.000 |
|