## |
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 |
136 |
36 |
7902 |
◊ |
A |
x,y,z |
1_555 |
127 |
35 |
7778 |
1256.4 |
-15.4 |
0.111 |
14 |
2 |
0 |
0.246 |
2 |
|
C |
129 |
35 |
7567 |
◊ |
B |
x,y,z |
1_555 |
124 |
34 |
7432 |
1193.1 |
-16.1 |
0.083 |
13 |
2 |
0 |
0.246 |
Average: |
1224.7 |
-15.7 |
0.097 |
14 |
2 |
0 |
0.246 |
2 |
3 |
|
D |
89 |
30 |
7902 |
◊ |
C |
x,y,z |
1_555 |
89 |
28 |
7567 |
824.5 |
-7.2 |
0.306 |
12 |
0 |
0 |
0.138 |
4 |
|
B |
87 |
26 |
7432 |
◊ |
A |
x,y,z |
1_555 |
89 |
27 |
7778 |
770.6 |
-6.8 |
0.277 |
13 |
0 |
0 |
0.138 |
Average: |
797.5 |
-7.0 |
0.292 |
13 |
0 |
0 |
0.138 |
3 |
5 |
|
A |
70 |
22 |
7778 |
◊ |
A |
-x+1,-y,z |
2_655 |
70 |
22 |
7778 |
675.1 |
0.7 |
0.792 |
19 |
8 |
0 |
0.074 |
4 |
6 |
|
C |
59 |
15 |
7567 |
◊ |
B |
x-1/2,-y+1/2,-z+1/2 |
8_455 |
66 |
16 |
7432 |
603.8 |
-7.5 |
0.224 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
50 |
14 |
7567 |
◊ |
A |
x,y,z |
1_555 |
50 |
14 |
7778 |
420.9 |
-11.4 |
0.007 |
2 |
0 |
0 |
0.124 |
8 |
|
D |
50 |
14 |
7902 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
7432 |
411.5 |
-11.3 |
0.007 |
2 |
0 |
0 |
0.124 |
Average: |
416.2 |
-11.3 |
0.007 |
2 |
0 |
0 |
0.124 |
6 |
9 |
|
D |
44 |
8 |
7902 |
◊ |
A |
x,-y,-z+1 |
4_556 |
37 |
8 |
7778 |
391.9 |
-0.4 |
0.671 |
3 |
11 |
0 |
0.000 |
7 |
10 |
|
D |
20 |
4 |
7902 |
◊ |
A |
-x,-y,z |
2_555 |
23 |
8 |
7778 |
201.6 |
-1.9 |
0.393 |
2 |
0 |
0 |
0.001 |
8 |
11 |
|
[URD]D:1004 |
16 |
1 |
382 |
f |
D |
x,y,z |
1_555 |
32 |
15 |
7902 |
177.5 |
-0.3 |
0.336 |
3 |
0 |
0 |
0.037 |
12 |
|
[URD]B:1002 |
16 |
1 |
379 |
f |
B |
x,y,z |
1_555 |
33 |
15 |
7432 |
176.5 |
-0.3 |
0.349 |
3 |
0 |
0 |
0.037 |
13 |
|
[URD]C:1003 |
16 |
1 |
382 |
f |
C |
x,y,z |
1_555 |
32 |
15 |
7567 |
176.4 |
-0.4 |
0.333 |
3 |
0 |
0 |
0.037 |
14 |
|
[URD]A:1001 |
16 |
1 |
377 |
f |
A |
x,y,z |
1_555 |
31 |
15 |
7778 |
171.2 |
-0.4 |
0.314 |
3 |
0 |
0 |
0.037 |
Average: |
175.4 |
-0.3 |
0.333 |
3 |
0 |
0 |
0.037 |
9 |
15 |
|
B |
21 |
8 |
7432 |
◊ |
B |
-x+1,-y,z |
2_655 |
21 |
8 |
7432 |
165.5 |
0.0 |
0.680 |
0 |
0 |
0 |
0.000 |
10 |
16 |
|
B |
14 |
5 |
7432 |
◊ |
A |
-x+1,-y,z |
2_655 |
16 |
5 |
7778 |
131.6 |
1.2 |
0.788 |
0 |
0 |
0 |
0.000 |
11 |
17 |
|
C |
7 |
2 |
7567 |
◊ |
A |
-x,-y,z |
2_555 |
8 |
2 |
7778 |
79.9 |
0.4 |
0.714 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[URD]C:1003 |
12 |
1 |
382 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
7778 |
79.3 |
-1.1 |
0.175 |
2 |
0 |
0 |
0.042 |
19 |
|
[URD]A:1001 |
12 |
1 |
377 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
7567 |
78.9 |
-1.2 |
0.171 |
2 |
0 |
0 |
0.042 |
20 |
|
[URD]D:1004 |
13 |
1 |
382 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
7432 |
77.8 |
-1.3 |
0.171 |
2 |
0 |
0 |
0.042 |
21 |
|
[URD]B:1002 |
12 |
1 |
379 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
7902 |
76.0 |
-1.1 |
0.202 |
2 |
0 |
0 |
0.042 |
Average: |
78.0 |
-1.2 |
0.180 |
2 |
0 |
0 |
0.042 |
13 |
22 |
|
[SO4]A:1005 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
7778 |
75.0 |
-9.6 |
0.796 |
3 |
0 |
0 |
0.181 |
14 |
23 |
|
[SO4]A:1005 |
5 |
1 |
185 |
f |
A |
-x+1,-y,z |
2_655 |
12 |
6 |
7778 |
75.0 |
-9.6 |
0.795 |
3 |
0 |
0 |
0.181 |
15 |
24 |
|
[URD]B:1002 |
5 |
1 |
379 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
7778 |
63.4 |
0.4 |
0.327 |
0 |
0 |
0 |
0.000 |
25 |
|
[URD]C:1003 |
6 |
1 |
382 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
7902 |
60.2 |
0.3 |
0.339 |
0 |
0 |
0 |
0.000 |
26 |
|
[URD]A:1001 |
7 |
1 |
377 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
7432 |
59.6 |
0.4 |
0.314 |
0 |
0 |
0 |
0.000 |
27 |
|
[URD]D:1004 |
5 |
1 |
382 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
7567 |
59.3 |
0.5 |
0.363 |
0 |
0 |
0 |
0.000 |
Average: |
60.6 |
0.4 |
0.336 |
0 |
0 |
0 |
0.000 |
16 |
28 |
|
D |
9 |
3 |
7902 |
◊ |
D |
x,-y,-z+1 |
4_556 |
9 |
3 |
7902 |
56.5 |
1.6 |
0.863 |
1 |
0 |
0 |
0.000 |
29 |
|
A |
7 |
3 |
7778 |
◊ |
A |
x,-y,-z+1 |
4_556 |
7 |
3 |
7778 |
51.4 |
1.6 |
0.869 |
1 |
0 |
0 |
0.000 |
Average: |
53.9 |
1.6 |
0.866 |
1 |
0 |
0 |
0.000 |
17 |
30 |
|
A |
5 |
1 |
7778 |
◊ |
A |
-x,-y,z |
2_555 |
5 |
1 |
7778 |
44.4 |
1.0 |
0.833 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
D |
4 |
2 |
7902 |
◊ |
B |
-x,-y,z |
2_555 |
6 |
2 |
7432 |
38.4 |
-0.7 |
0.318 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[ZN]B:147 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
7432 |
35.2 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.603 |
33 |
|
[ZN]D:147 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
7902 |
35.1 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.603 |
34 |
|
[ZN]C:147 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
7567 |
34.5 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.603 |
35 |
|
[ZN]A:147 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
7778 |
34.3 |
-26.8 |
0.000 |
0 |
0 |
0 |
0.603 |
Average: |
34.8 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.603 |
20 |
36 |
|
C |
3 |
1 |
7567 |
◊ |
C |
-x,-y,z |
2_555 |
2 |
1 |
7567 |
20.2 |
0.8 |
0.870 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
[ZN]C:147 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
7778 |
15.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.138 |
38 |
|
[ZN]A:147 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
7567 |
14.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.138 |
39 |
|
[ZN]B:147 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
7902 |
14.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.138 |
40 |
|
[ZN]D:147 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7432 |
13.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.138 |
Average: |
14.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.138 |
22 |
41 |
|
B |
2 |
2 |
7432 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
4 |
2 |
7567 |
13.8 |
0.5 |
0.802 |
0 |
0 |
0 |
0.000 |
23 |
42 |
|
[URD]A:1001 |
6 |
1 |
377 |
f |
[ZN]A:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.118 |
43 |
|
[URD]D:1004 |
7 |
1 |
382 |
f |
[ZN]D:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.118 |
44 |
|
[URD]B:1002 |
6 |
1 |
379 |
f |
[ZN]B:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.118 |
45 |
|
[URD]C:1003 |
6 |
1 |
382 |
f |
[ZN]C:147 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
13.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.118 |
24 |
46 |
|
[SO4]A:1005 |
1 |
1 |
185 |
◊ |
B |
-x+1,-y,z |
2_655 |
1 |
1 |
7432 |
8.2 |
-0.6 |
0.862 |
0 |
0 |
0 |
0.007 |
25 |
47 |
|
[SO4]A:1005 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
7432 |
8.2 |
-0.7 |
0.863 |
0 |
0 |
0 |
0.006 |
|