## |
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 |
|
C |
53 |
16 |
14815 |
◊ |
A |
x,y,z |
1_555 |
53 |
18 |
15385 |
498.3 |
-7.9 |
0.191 |
3 |
0 |
0 |
0.000 |
2 |
|
B |
54 |
17 |
15025 |
◊ |
D |
x,y-1,z |
1_545 |
49 |
15 |
14848 |
492.2 |
-7.7 |
0.169 |
2 |
0 |
0 |
0.000 |
Average: |
495.2 |
-7.8 |
0.180 |
3 |
0 |
0 |
0.000 |
2 |
3 |
|
[5UJ]C:403 |
32 |
1 |
698 |
f |
C |
x,y,z |
1_555 |
65 |
25 |
14815 |
410.3 |
-1.8 |
0.686 |
3 |
0 |
0 |
0.009 |
4 |
|
[5UJ]B:403 |
32 |
1 |
694 |
f |
B |
x,y,z |
1_555 |
67 |
23 |
15025 |
403.0 |
-2.5 |
0.583 |
3 |
0 |
0 |
0.009 |
5 |
|
[5UJ]D:403 |
25 |
1 |
556 |
f |
D |
x,y,z |
1_555 |
60 |
22 |
14848 |
364.5 |
2.7 |
0.382 |
3 |
0 |
0 |
0.009 |
6 |
|
[5UJ]A:403 |
21 |
1 |
484 |
f |
A |
x,y,z |
1_555 |
59 |
21 |
15385 |
330.6 |
1.9 |
0.380 |
3 |
0 |
0 |
0.009 |
Average: |
377.1 |
0.1 |
0.508 |
3 |
0 |
0 |
0.009 |
3 |
7 |
|
C |
37 |
10 |
14815 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
41 |
11 |
15385 |
332.6 |
-2.0 |
0.645 |
2 |
0 |
0 |
0.000 |
4 |
8 |
|
B |
31 |
7 |
15025 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
15385 |
277.8 |
-1.6 |
0.517 |
4 |
6 |
0 |
0.000 |
5 |
9 |
|
B |
32 |
8 |
15025 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
32 |
8 |
14848 |
274.1 |
-3.1 |
0.427 |
2 |
0 |
0 |
0.000 |
6 |
10 |
|
C |
25 |
8 |
14815 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
15025 |
242.2 |
-3.0 |
0.337 |
2 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
21 |
5 |
14815 |
◊ |
A |
x-1,y,z |
1_455 |
23 |
7 |
15385 |
195.0 |
0.2 |
0.734 |
2 |
3 |
0 |
0.000 |
12 |
|
B |
18 |
5 |
15025 |
◊ |
D |
x-1,y-1,z |
1_445 |
20 |
6 |
14848 |
167.5 |
1.5 |
0.875 |
3 |
3 |
0 |
0.000 |
Average: |
181.2 |
0.8 |
0.804 |
3 |
3 |
0 |
0.000 |
8 |
13 |
|
B |
15 |
4 |
15025 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
18 |
6 |
14848 |
133.1 |
-2.7 |
0.254 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
D |
16 |
6 |
14848 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
15385 |
122.4 |
-2.6 |
0.166 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
C |
12 |
3 |
14815 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
12 |
4 |
15385 |
111.6 |
-2.3 |
0.235 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
A |
13 |
4 |
15385 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
3 |
14848 |
103.0 |
-2.5 |
0.217 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[DMS]D:405 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
14848 |
97.3 |
2.7 |
0.485 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[GOL]B:404 |
5 |
1 |
222 |
f |
D |
x,y-1,z |
1_545 |
13 |
6 |
14848 |
94.0 |
-0.1 |
0.575 |
4 |
0 |
0 |
0.005 |
14 |
19 |
|
[GOL]B:404 |
6 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
15025 |
90.3 |
0.2 |
0.651 |
4 |
0 |
0 |
0.000 |
15 |
20 |
|
[DMS]B:405 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
15025 |
88.1 |
-0.2 |
0.285 |
0 |
0 |
0 |
0.000 |
16 |
21 |
|
[DMS]D:404 |
4 |
1 |
207 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
14848 |
86.4 |
1.4 |
0.428 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[DMS]A:404 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
15385 |
85.5 |
0.4 |
0.383 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
C |
10 |
4 |
14815 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
15025 |
80.9 |
-0.2 |
0.661 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
14815 |
72.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.017 |
20 |
25 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
14815 |
35.2 |
-23.3 |
0.000 |
0 |
0 |
0 |
0.064 |
26 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
15025 |
35.0 |
-23.0 |
0.000 |
0 |
0 |
0 |
0.064 |
27 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
15385 |
34.9 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.064 |
28 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
14848 |
34.5 |
-22.8 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
34.9 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.064 |
21 |
29 |
|
[5UJ]A:403 |
3 |
1 |
484 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.4 |
-16.5 |
0.000 |
0 |
0 |
0 |
0.046 |
30 |
|
[5UJ]C:403 |
4 |
1 |
698 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-15.9 |
0.000 |
0 |
0 |
0 |
0.046 |
31 |
|
[5UJ]D:403 |
3 |
1 |
556 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.046 |
32 |
|
[5UJ]B:403 |
3 |
1 |
694 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
34.2 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.046 |
22 |
33 |
|
C |
3 |
1 |
14815 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
1 |
15385 |
13.2 |
-0.3 |
0.462 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
B |
2 |
1 |
15025 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
15025 |
11.6 |
-0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
A |
1 |
1 |
15385 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
15385 |
0.6 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
|