## |
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 |
113 |
31 |
13655 |
◊ |
A |
x,y,z |
1_555 |
112 |
31 |
13475 |
1034.8 |
0.2 |
0.688 |
16 |
8 |
0 |
0.000 |
2 |
|
D |
112 |
30 |
13433 |
◊ |
C |
x,y,z |
1_555 |
110 |
31 |
13600 |
1023.9 |
-0.4 |
0.682 |
16 |
8 |
0 |
0.000 |
Average: |
1029.4 |
-0.1 |
0.685 |
16 |
8 |
0 |
0.000 |
2 |
3 |
|
D |
44 |
11 |
13433 |
◊ |
A |
x,y,z |
1_555 |
44 |
11 |
13475 |
395.4 |
-5.6 |
0.125 |
1 |
1 |
0 |
0.000 |
4 |
|
C |
44 |
11 |
13600 |
◊ |
B |
x,y,z |
1_555 |
43 |
11 |
13655 |
386.4 |
-6.2 |
0.082 |
0 |
0 |
0 |
0.000 |
Average: |
390.9 |
-5.9 |
0.104 |
1 |
1 |
0 |
0.000 |
3 |
5 |
|
C |
38 |
11 |
13600 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
42 |
11 |
13655 |
374.6 |
-3.6 |
0.231 |
5 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
30 |
8 |
13433 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
34 |
12 |
13475 |
288.1 |
-1.2 |
0.449 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
22 |
8 |
13475 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
29 |
10 |
13433 |
259.0 |
1.8 |
0.765 |
4 |
8 |
0 |
0.000 |
8 |
|
B |
29 |
10 |
13655 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
22 |
8 |
13600 |
243.4 |
2.5 |
0.845 |
4 |
7 |
0 |
0.000 |
Average: |
251.2 |
2.1 |
0.805 |
4 |
8 |
0 |
0.000 |
6 |
9 |
|
A |
23 |
10 |
13475 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
23 |
9 |
13600 |
224.5 |
1.8 |
0.812 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
19 |
9 |
13655 |
x |
B |
x,y-1,z |
1_545 |
25 |
10 |
13655 |
198.0 |
2.1 |
0.721 |
1 |
3 |
0 |
0.000 |
11 |
|
C |
19 |
7 |
13600 |
x |
C |
x,y-1,z |
1_545 |
19 |
7 |
13600 |
177.4 |
1.5 |
0.787 |
2 |
4 |
0 |
0.000 |
Average: |
187.7 |
1.8 |
0.754 |
2 |
4 |
0 |
0.000 |
8 |
12 |
|
[DTV]B:402 |
8 |
1 |
304 |
f |
B |
x,y,z |
1_555 |
34 |
12 |
13655 |
197.2 |
-3.2 |
0.477 |
1 |
0 |
0 |
0.005 |
13 |
|
[DTV]C:402 |
8 |
1 |
303 |
f |
C |
x,y,z |
1_555 |
28 |
11 |
13600 |
186.3 |
-2.9 |
0.442 |
2 |
0 |
0 |
0.005 |
14 |
|
[DTV]D:402 |
8 |
1 |
302 |
f |
D |
x,y,z |
1_555 |
29 |
11 |
13433 |
179.9 |
-3.0 |
0.386 |
2 |
0 |
0 |
0.005 |
Average: |
187.8 |
-3.1 |
0.435 |
2 |
0 |
0 |
0.005 |
9 |
15 |
|
[DTV]A:402 |
8 |
1 |
301 |
f |
A |
x,y,z |
1_555 |
29 |
11 |
13475 |
196.3 |
-3.4 |
0.423 |
2 |
0 |
0 |
0.005 |
10 |
16 |
|
A |
18 |
6 |
13475 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
5 |
13655 |
144.2 |
-1.2 |
0.196 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
C |
17 |
4 |
13600 |
◊ |
D |
x,y-1,z |
1_545 |
16 |
5 |
13433 |
135.8 |
-0.7 |
0.419 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
A |
7 |
3 |
13475 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
10 |
4 |
13433 |
48.0 |
-0.3 |
0.504 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[ZN]A:400 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
13475 |
44.7 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.040 |
20 |
|
[ZN]C:400 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
13600 |
44.2 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.040 |
21 |
|
[ZN]D:400 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
13433 |
44.2 |
-32.6 |
0.000 |
0 |
0 |
0 |
0.040 |
22 |
|
[ZN]B:400 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
13655 |
43.4 |
-31.4 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
44.1 |
-32.4 |
0.000 |
0 |
0 |
0 |
0.040 |
14 |
23 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
13475 |
42.8 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.037 |
24 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
6 |
13433 |
42.1 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.037 |
25 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
13600 |
41.6 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.037 |
26 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
13655 |
40.2 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
41.7 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.037 |
15 |
27 |
|
[MG]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
13475 |
23.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.003 |
16 |
28 |
|
[MG]A:500 |
1 |
1 |
98 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
5 |
2 |
13433 |
17.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
17 |
29 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
[ZN]A:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.014 |
18 |
30 |
|
C |
5 |
2 |
13600 |
◊ |
B |
-x+1,y-1,-z+1 |
2_646 |
2 |
2 |
13655 |
14.5 |
-0.2 |
0.392 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
[ZN]C:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.014 |
20 |
32 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
[ZN]D:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.014 |
21 |
33 |
|
[DTV]B:402 |
2 |
1 |
304 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.008 |
34 |
|
[DTV]C:402 |
2 |
1 |
303 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.008 |
35 |
|
[DTV]D:402 |
2 |
1 |
302 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.008 |
36 |
|
[DTV]A:402 |
2 |
1 |
301 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
6.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.008 |
37 |
|
[DTV]B:402 |
1 |
1 |
304 |
f |
[ZN]B:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.008 |
38 |
|
[DTV]C:402 |
1 |
1 |
303 |
f |
[ZN]C:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.008 |
39 |
|
[DTV]D:402 |
1 |
1 |
302 |
f |
[ZN]D:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
7.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.008 |
22 |
40 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
[ZN]B:400 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.013 |
23 |
41 |
|
A |
1 |
1 |
13475 |
x |
A |
x,y-1,z |
1_545 |
1 |
1 |
13475 |
2.8 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
|