## |
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 |
53 |
16 |
15275 |
◊ |
B |
x,y,z |
1_555 |
52 |
16 |
15096 |
488.9 |
-6.2 |
0.330 |
4 |
0 |
0 |
0.000 |
2 |
|
C |
51 |
15 |
15197 |
◊ |
A |
x-1,y-1,z |
1_445 |
53 |
17 |
14762 |
482.7 |
-7.3 |
0.274 |
4 |
0 |
0 |
0.000 |
Average: |
485.8 |
-6.7 |
0.302 |
4 |
0 |
0 |
0.000 |
2 |
3 |
|
B |
35 |
8 |
15096 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
46 |
11 |
15275 |
327.0 |
0.4 |
0.857 |
2 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
36 |
9 |
15197 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
34 |
10 |
14762 |
300.2 |
-0.6 |
0.797 |
2 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
26 |
9 |
15197 |
◊ |
D |
x,y-1,z |
1_545 |
33 |
8 |
15275 |
280.2 |
-3.5 |
0.324 |
3 |
4 |
0 |
0.000 |
5 |
6 |
|
C |
30 |
9 |
15197 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
15096 |
254.7 |
-2.0 |
0.602 |
2 |
0 |
0 |
0.000 |
6 |
7 |
|
[5UB]D:403 |
16 |
1 |
377 |
f |
D |
x,y,z |
1_555 |
44 |
17 |
15275 |
239.7 |
3.7 |
0.449 |
3 |
0 |
0 |
0.000 |
8 |
|
[5UB]B:403 |
16 |
1 |
375 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
15096 |
235.4 |
3.8 |
0.472 |
4 |
0 |
0 |
0.000 |
9 |
|
[5UB]A:403 |
16 |
1 |
372 |
f |
A |
x,y,z |
1_555 |
43 |
16 |
14762 |
232.5 |
3.5 |
0.458 |
4 |
0 |
0 |
0.000 |
10 |
|
[5UB]C:403 |
16 |
1 |
373 |
f |
C |
x,y,z |
1_555 |
46 |
17 |
15197 |
232.4 |
3.5 |
0.484 |
4 |
0 |
0 |
0.000 |
Average: |
235.0 |
3.6 |
0.466 |
4 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
31 |
13 |
15275 |
◊ |
A |
x-1,y,z |
1_455 |
30 |
11 |
14762 |
215.0 |
-1.7 |
0.553 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
17 |
6 |
15197 |
◊ |
A |
x,y-1,z |
1_545 |
19 |
5 |
14762 |
171.5 |
-0.2 |
0.570 |
2 |
3 |
0 |
0.000 |
13 |
|
D |
13 |
5 |
15275 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
5 |
15096 |
95.0 |
0.6 |
0.801 |
0 |
0 |
0 |
0.000 |
Average: |
133.2 |
0.2 |
0.686 |
1 |
2 |
0 |
0.000 |
9 |
14 |
|
[DMS]C:408 |
4 |
1 |
205 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
15197 |
134.7 |
4.5 |
0.765 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
[DMS]A:406 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
14762 |
132.2 |
2.5 |
0.551 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
[DMS]D:406 |
4 |
1 |
207 |
◊ |
D |
x,y,z |
1_555 |
20 |
8 |
15275 |
131.8 |
2.5 |
0.534 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
B |
16 |
5 |
15096 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
14 |
5 |
15275 |
130.7 |
-2.9 |
0.210 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[DMS]B:405 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
15096 |
129.0 |
3.6 |
0.636 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[DMS]C:404 |
4 |
1 |
208 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
15197 |
118.0 |
3.5 |
0.682 |
0 |
0 |
0 |
0.000 |
15 |
20 |
|
[DMS]D:405 |
4 |
1 |
205 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
15275 |
117.3 |
2.8 |
0.577 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[DMS]A:404 |
4 |
1 |
208 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
14762 |
116.0 |
2.4 |
0.532 |
1 |
0 |
0 |
0.000 |
17 |
22 |
|
[DMS]B:404 |
4 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
15096 |
115.4 |
2.8 |
0.596 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[DMS]A:405 |
4 |
1 |
206 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
14762 |
113.0 |
2.5 |
0.607 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[DMS]D:404 |
4 |
1 |
208 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
15275 |
112.2 |
0.9 |
0.393 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[DMS]C:405 |
4 |
1 |
205 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
15197 |
106.1 |
2.5 |
0.615 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
C |
11 |
3 |
15197 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
11 |
2 |
14762 |
102.2 |
-2.4 |
0.215 |
0 |
0 |
0 |
0.000 |
22 |
27 |
|
[DMS]A:407 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
14762 |
101.8 |
3.1 |
0.510 |
1 |
0 |
0 |
0.000 |
23 |
28 |
|
[DMS]C:406 |
4 |
1 |
209 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
15197 |
100.1 |
2.8 |
0.491 |
0 |
0 |
0 |
0.000 |
24 |
29 |
|
[DMS]C:407 |
4 |
1 |
207 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
15197 |
68.9 |
-0.1 |
0.310 |
0 |
0 |
0 |
0.000 |
25 |
30 |
|
C |
8 |
3 |
15197 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
15096 |
60.6 |
-1.7 |
0.254 |
0 |
0 |
0 |
0.000 |
26 |
31 |
|
[DMS]C:405 |
3 |
1 |
205 |
f |
[5UB]C:403 |
x,y,z |
1_555 |
12 |
1 |
373 |
46.2 |
1.9 |
0.210 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[DMS]A:405 |
3 |
1 |
206 |
f |
[5UB]A:403 |
x,y,z |
1_555 |
9 |
1 |
372 |
44.5 |
1.5 |
0.162 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[DMS]B:404 |
3 |
1 |
206 |
f |
[5UB]B:403 |
x,y,z |
1_555 |
8 |
1 |
375 |
43.0 |
1.3 |
0.170 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[DMS]D:405 |
3 |
1 |
205 |
f |
[5UB]D:403 |
x,y,z |
1_555 |
7 |
1 |
377 |
39.1 |
0.1 |
0.168 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
15275 |
34.6 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.092 |
36 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15096 |
33.2 |
-22.1 |
0.000 |
0 |
0 |
0 |
0.092 |
37 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
14762 |
32.5 |
-21.0 |
0.000 |
0 |
0 |
0 |
0.092 |
38 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
15197 |
31.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
32.9 |
-21.5 |
0.000 |
0 |
0 |
0 |
0.092 |
31 |
39 |
|
[5UB]D:403 |
5 |
1 |
377 |
f |
[ZN]D:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-16.0 |
0.000 |
0 |
0 |
0 |
0.068 |
40 |
|
[5UB]B:403 |
5 |
1 |
375 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.068 |
41 |
|
[5UB]A:403 |
5 |
1 |
372 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.7 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.068 |
42 |
|
[5UB]C:403 |
5 |
1 |
373 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-15.2 |
0.000 |
0 |
0 |
0 |
0.068 |
Average: |
32.6 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.068 |
32 |
43 |
|
D |
5 |
3 |
15275 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
14762 |
31.4 |
-0.4 |
0.490 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
D |
4 |
1 |
15275 |
x |
D |
x-1,y,z |
1_455 |
3 |
1 |
15275 |
20.6 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
34 |
45 |
|
[DMS]C:407 |
1 |
1 |
207 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
4 |
15275 |
19.7 |
0.4 |
0.464 |
0 |
0 |
0 |
0.000 |
35 |
46 |
|
[DMS]D:406 |
1 |
1 |
207 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15096 |
13.4 |
0.9 |
0.698 |
0 |
0 |
0 |
0.000 |
36 |
47 |
|
[DMS]C:405 |
1 |
1 |
205 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.012 |
37 |
48 |
|
C |
1 |
1 |
15197 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
14762 |
6.7 |
-0.2 |
0.264 |
0 |
0 |
0 |
0.000 |
38 |
49 |
|
[DMS]A:405 |
1 |
1 |
206 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
50 |
|
[DMS]B:404 |
1 |
1 |
206 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
3.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
4.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.006 |
39 |
51 |
|
C |
1 |
1 |
15197 |
f |
[DMS]A:404 |
x,y-1,z |
1_545 |
1 |
1 |
208 |
5.5 |
-0.3 |
0.273 |
0 |
0 |
0 |
0.001 |
|