## |
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 |
464 |
127 |
20383 |
◊ |
A |
x,y,z |
1_555 |
461 |
131 |
20271 |
4271.0 |
-59.5 |
0.027 |
68 |
6 |
0 |
0.659 |
2 |
|
D |
449 |
123 |
20269 |
◊ |
C |
x,y,z |
1_555 |
451 |
127 |
20165 |
4244.2 |
-55.6 |
0.045 |
66 |
6 |
0 |
0.659 |
Average: |
4257.6 |
-57.6 |
0.036 |
67 |
6 |
0 |
0.659 |
2 |
3 |
|
C |
137 |
42 |
20165 |
◊ |
B |
x,y,z |
1_555 |
131 |
42 |
20383 |
1259.9 |
-15.9 |
0.169 |
20 |
19 |
0 |
0.377 |
4 |
|
D |
127 |
39 |
20269 |
◊ |
A |
x,y,z |
1_555 |
134 |
44 |
20271 |
1257.1 |
-14.4 |
0.197 |
20 |
17 |
0 |
0.377 |
Average: |
1258.5 |
-15.2 |
0.183 |
20 |
18 |
0 |
0.377 |
3 |
5 |
|
C |
62 |
22 |
20165 |
◊ |
A |
x,y,z |
1_555 |
63 |
22 |
20271 |
613.0 |
-12.6 |
0.032 |
4 |
0 |
0 |
0.082 |
6 |
|
D |
61 |
21 |
20269 |
◊ |
B |
x,y,z |
1_555 |
59 |
21 |
20383 |
591.6 |
-13.0 |
0.023 |
3 |
0 |
0 |
0.082 |
Average: |
602.3 |
-12.8 |
0.028 |
4 |
0 |
0 |
0.082 |
4 |
7 |
|
D |
49 |
15 |
20269 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
62 |
20 |
20383 |
471.5 |
0.2 |
0.792 |
9 |
2 |
0 |
0.000 |
5 |
8 |
|
[7HI]B:1 |
37 |
1 |
803 |
f |
B |
x,y,z |
1_555 |
64 |
22 |
20383 |
460.8 |
-1.1 |
0.320 |
3 |
0 |
0 |
0.077 |
9 |
|
[7HI]A:2 |
37 |
1 |
805 |
f |
A |
x,y,z |
1_555 |
68 |
21 |
20271 |
460.4 |
-0.8 |
0.338 |
4 |
0 |
0 |
0.077 |
10 |
|
[7HI]D:3 |
37 |
1 |
804 |
f |
D |
x,y,z |
1_555 |
58 |
19 |
20269 |
450.3 |
-0.8 |
0.308 |
5 |
0 |
0 |
0.077 |
11 |
|
[7HI]D:876 |
36 |
1 |
802 |
f |
C |
x,y,z |
1_555 |
60 |
20 |
20165 |
448.2 |
-0.9 |
0.332 |
4 |
0 |
0 |
0.077 |
Average: |
454.9 |
-0.9 |
0.325 |
4 |
0 |
0 |
0.077 |
6 |
12 |
|
D |
40 |
9 |
20269 |
◊ |
B |
x,y,z-1 |
1_554 |
48 |
15 |
20383 |
390.2 |
1.9 |
0.868 |
7 |
2 |
0 |
0.000 |
7 |
13 |
|
C |
45 |
12 |
20165 |
x |
C |
x-1,y,z-1 |
1_454 |
35 |
15 |
20165 |
354.7 |
-2.4 |
0.547 |
2 |
0 |
0 |
0.000 |
8 |
14 |
|
B |
43 |
9 |
20383 |
x |
B |
x-1,y,z-1 |
1_454 |
26 |
6 |
20383 |
256.0 |
-1.3 |
0.639 |
1 |
1 |
0 |
0.000 |
9 |
15 |
|
D |
29 |
8 |
20269 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
5 |
20271 |
220.3 |
1.7 |
0.854 |
1 |
4 |
0 |
0.000 |
10 |
16 |
|
D |
17 |
8 |
20269 |
◊ |
A |
x-1,y,z-1 |
1_454 |
28 |
11 |
20271 |
176.5 |
-0.4 |
0.635 |
0 |
1 |
0 |
0.000 |
11 |
17 |
|
C |
24 |
7 |
20165 |
◊ |
B |
x-1,y,z-1 |
1_454 |
17 |
6 |
20383 |
175.8 |
-1.4 |
0.535 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[7HI]D:876 |
12 |
1 |
802 |
◊ |
D |
x,y,z |
1_555 |
22 |
10 |
20269 |
168.0 |
2.5 |
0.573 |
5 |
0 |
0 |
0.004 |
19 |
|
[7HI]B:1 |
13 |
1 |
803 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
20271 |
166.6 |
2.1 |
0.553 |
5 |
0 |
0 |
0.004 |
20 |
|
[7HI]D:3 |
13 |
1 |
804 |
◊ |
C |
x,y,z |
1_555 |
20 |
9 |
20165 |
166.1 |
2.3 |
0.555 |
6 |
0 |
0 |
0.004 |
21 |
|
[7HI]A:2 |
13 |
1 |
805 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
20383 |
159.3 |
1.8 |
0.560 |
5 |
0 |
0 |
0.004 |
Average: |
165.0 |
2.2 |
0.560 |
5 |
0 |
0 |
0.004 |
13 |
22 |
|
A |
15 |
5 |
20271 |
◊ |
B |
x-1,y,z-1 |
1_454 |
15 |
4 |
20383 |
122.0 |
-1.6 |
0.415 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[SO4]B:2 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
20383 |
120.8 |
-18.7 |
0.682 |
5 |
0 |
0 |
0.285 |
15 |
24 |
|
[SO4]A:1 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
20271 |
120.0 |
-18.3 |
0.672 |
5 |
0 |
0 |
0.283 |
16 |
25 |
|
[SO4]D:4 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
20269 |
116.8 |
-17.8 |
0.658 |
6 |
0 |
0 |
0.283 |
17 |
26 |
|
[SO4]C:3 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
20165 |
114.4 |
-17.6 |
0.607 |
5 |
0 |
0 |
0.270 |
18 |
27 |
|
B |
13 |
4 |
20383 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
4 |
20269 |
112.0 |
-1.5 |
0.398 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
C |
13 |
4 |
20165 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
18 |
6 |
20271 |
91.2 |
-0.5 |
0.613 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
C |
14 |
5 |
20165 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
3 |
20383 |
86.9 |
-1.6 |
0.353 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
A |
4 |
1 |
20271 |
x |
A |
x-1,y,z-1 |
1_454 |
6 |
3 |
20271 |
44.8 |
0.5 |
0.752 |
0 |
2 |
0 |
0.000 |
22 |
31 |
|
C |
3 |
1 |
20165 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
20269 |
22.2 |
-0.1 |
0.503 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
C |
1 |
1 |
20165 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
20271 |
18.4 |
1.2 |
0.949 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
D |
1 |
1 |
20269 |
◊ |
[7HI]A:2 |
x-1,y,z-1 |
1_454 |
2 |
1 |
805 |
13.8 |
-0.4 |
0.246 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
D |
3 |
2 |
20269 |
◊ |
B |
x-1,y,z-1 |
1_454 |
2 |
2 |
20383 |
7.8 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
26 |
35 |
|
C |
3 |
1 |
20165 |
x |
C |
x,y,z-1 |
1_554 |
1 |
1 |
20165 |
5.7 |
0.2 |
0.768 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
C |
2 |
2 |
20165 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
2 |
20271 |
4.6 |
-0.1 |
0.507 |
0 |
0 |
0 |
0.000 |
|