## |
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 |
75 |
21 |
10002 |
◊ |
C |
x,y,z |
1_555 |
62 |
20 |
10032 |
634.6 |
-6.3 |
0.214 |
8 |
2 |
0 |
0.016 |
2 |
|
B |
78 |
20 |
9969 |
◊ |
A |
x-1,y,z |
1_455 |
62 |
20 |
10064 |
622.0 |
-5.1 |
0.302 |
7 |
2 |
0 |
0.016 |
Average: |
628.3 |
-5.7 |
0.258 |
8 |
2 |
0 |
0.016 |
2 |
3 |
|
C |
64 |
18 |
10032 |
◊ |
D |
x,y-1,z |
1_545 |
57 |
18 |
10002 |
532.2 |
-3.7 |
0.371 |
5 |
2 |
0 |
0.000 |
4 |
|
B |
61 |
20 |
9969 |
◊ |
A |
x-1,y+1,z |
1_465 |
63 |
18 |
10064 |
504.8 |
-4.3 |
0.330 |
5 |
2 |
0 |
0.000 |
Average: |
518.5 |
-4.0 |
0.350 |
5 |
2 |
0 |
0.000 |
3 |
5 |
|
D |
51 |
19 |
10002 |
◊ |
C |
x-1,y+1,z |
1_465 |
59 |
19 |
10032 |
463.6 |
-3.6 |
0.307 |
4 |
0 |
0 |
0.000 |
4 |
6 |
|
B |
50 |
15 |
9969 |
◊ |
A |
x,y,z |
1_555 |
46 |
15 |
10064 |
411.5 |
-2.3 |
0.445 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
B |
38 |
14 |
9969 |
◊ |
D |
x,y,z-1 |
1_554 |
42 |
14 |
10002 |
396.5 |
-4.0 |
0.246 |
7 |
0 |
0 |
0.000 |
8 |
|
C |
40 |
14 |
10032 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
10064 |
388.2 |
-4.1 |
0.234 |
6 |
0 |
0 |
0.000 |
Average: |
392.4 |
-4.1 |
0.240 |
7 |
0 |
0 |
0.000 |
6 |
9 |
|
G |
24 |
3 |
692 |
◊ |
C |
x,y,z |
1_555 |
45 |
21 |
10032 |
373.5 |
-4.8 |
0.354 |
7 |
0 |
0 |
0.222 |
10 |
|
H |
24 |
3 |
688 |
◊ |
D |
x,y,z |
1_555 |
49 |
21 |
10002 |
369.9 |
-4.9 |
0.340 |
6 |
0 |
0 |
0.222 |
Average: |
371.7 |
-4.9 |
0.347 |
7 |
0 |
0 |
0.222 |
7 |
11 |
|
F |
24 |
3 |
684 |
◊ |
B |
x,y,z |
1_555 |
52 |
21 |
9969 |
369.5 |
-4.8 |
0.387 |
6 |
1 |
0 |
0.215 |
8 |
12 |
|
E |
25 |
3 |
687 |
◊ |
A |
x,y,z |
1_555 |
50 |
21 |
10064 |
369.1 |
-4.9 |
0.347 |
6 |
0 |
0 |
0.153 |
9 |
13 |
|
A |
12 |
4 |
10064 |
x |
A |
x-1,y,z |
1_455 |
17 |
6 |
10064 |
122.0 |
-0.1 |
0.425 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[SO4]A:608 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
10064 |
101.1 |
-14.2 |
0.669 |
1 |
0 |
0 |
0.298 |
11 |
15 |
|
H |
9 |
1 |
688 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
10032 |
89.8 |
0.8 |
0.678 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
[SO4]C:604 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
10032 |
89.5 |
-12.5 |
0.735 |
3 |
0 |
0 |
0.390 |
17 |
|
[SO4]A:600 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
10064 |
86.0 |
-11.8 |
0.758 |
3 |
0 |
0 |
0.390 |
18 |
|
[SO4]D:606 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
10002 |
85.8 |
-11.8 |
0.766 |
3 |
0 |
0 |
0.390 |
19 |
|
[SO4]B:602 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
9969 |
85.5 |
-11.9 |
0.761 |
3 |
0 |
0 |
0.390 |
Average: |
86.7 |
-12.0 |
0.755 |
3 |
0 |
0 |
0.390 |
13 |
20 |
|
B |
13 |
5 |
9969 |
◊ |
E |
x-1,y+1,z |
1_465 |
6 |
1 |
687 |
86.2 |
1.3 |
0.758 |
1 |
0 |
0 |
0.000 |
14 |
21 |
|
F |
9 |
1 |
684 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
3 |
10064 |
83.2 |
0.6 |
0.696 |
1 |
0 |
0 |
0.000 |
15 |
22 |
|
[SO4]D:607 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10002 |
76.8 |
-11.3 |
0.722 |
4 |
0 |
0 |
0.364 |
16 |
23 |
|
[SO4]B:603 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
9969 |
76.5 |
-11.2 |
0.715 |
3 |
0 |
0 |
0.352 |
17 |
24 |
|
[SO4]A:601 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10064 |
75.0 |
-10.7 |
0.713 |
2 |
0 |
0 |
0.236 |
18 |
25 |
|
[SO4]C:605 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
10032 |
74.4 |
-10.8 |
0.720 |
2 |
0 |
0 |
0.328 |
19 |
26 |
|
G |
8 |
1 |
692 |
◊ |
D |
x,y-1,z |
1_545 |
12 |
4 |
10002 |
71.4 |
0.3 |
0.652 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[ACE]F:299 |
3 |
1 |
172 |
cf |
F |
x,y,z |
1_555 |
7 |
2 |
684 |
66.4 |
-1.1 |
0.741 |
0 |
0 |
0 |
0.100 |
21 |
28 |
|
[ACE]H:299 |
3 |
1 |
172 |
cf |
H |
x,y,z |
1_555 |
7 |
2 |
688 |
65.7 |
-0.9 |
0.727 |
0 |
0 |
0 |
0.100 |
22 |
29 |
|
[ACE]E:299 |
3 |
1 |
171 |
cf |
E |
x,y,z |
1_555 |
7 |
2 |
687 |
65.7 |
-1.0 |
0.729 |
0 |
0 |
0 |
0.100 |
23 |
30 |
|
[ACE]G:299 |
3 |
1 |
173 |
cf |
G |
x,y,z |
1_555 |
7 |
2 |
692 |
62.8 |
-1.0 |
0.730 |
0 |
0 |
0 |
0.100 |
24 |
31 |
|
[ACE]E:299 |
2 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10064 |
51.5 |
-1.3 |
0.487 |
0 |
0 |
0 |
0.027 |
25 |
32 |
|
[ACE]H:299 |
2 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
10002 |
49.1 |
-1.2 |
0.496 |
0 |
0 |
0 |
0.034 |
26 |
33 |
|
[ACE]F:299 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
9969 |
48.2 |
-1.2 |
0.496 |
0 |
0 |
0 |
0.033 |
27 |
34 |
|
C |
4 |
2 |
10032 |
x |
C |
x-1,y,z |
1_455 |
6 |
4 |
10032 |
46.7 |
0.0 |
0.461 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
A |
4 |
2 |
10064 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
2 |
9969 |
44.1 |
0.2 |
0.514 |
1 |
0 |
0 |
0.000 |
29 |
36 |
|
[ACE]G:299 |
2 |
1 |
173 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
10032 |
40.9 |
-1.1 |
0.407 |
0 |
0 |
0 |
0.032 |
30 |
37 |
|
A |
3 |
1 |
10064 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
1 |
687 |
21.7 |
0.2 |
0.711 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[SO4]A:600 |
1 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
10064 |
8.8 |
-1.0 |
0.764 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
D |
1 |
1 |
10002 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
10002 |
2.7 |
-0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
33 |
40 |
|
[SO4]B:603 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10064 |
1.0 |
-0.1 |
0.817 |
0 |
0 |
0 |
0.000 |
|