## |
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 |
172 |
45 |
18185 |
◊ |
A |
x,y,z |
1_555 |
156 |
40 |
17672 |
1593.5 |
-27.7 |
0.006 |
5 |
2 |
0 |
0.419 |
2 |
|
D |
170 |
45 |
18174 |
◊ |
C |
x,y,z |
1_555 |
158 |
40 |
17665 |
1576.3 |
-27.5 |
0.006 |
4 |
2 |
0 |
0.419 |
Average: |
1584.9 |
-27.6 |
0.006 |
5 |
2 |
0 |
0.419 |
2 |
3 |
|
B |
92 |
23 |
18185 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
90 |
23 |
18185 |
794.5 |
-11.0 |
0.134 |
10 |
8 |
0 |
0.239 |
4 |
|
D |
84 |
22 |
18174 |
◊ |
D |
-x,y,-z |
2_555 |
82 |
22 |
18174 |
705.2 |
-9.5 |
0.164 |
8 |
8 |
0 |
0.239 |
Average: |
749.8 |
-10.2 |
0.149 |
9 |
8 |
0 |
0.239 |
3 |
5 |
|
G |
54 |
9 |
1366 |
◊ |
C |
x,y,z |
1_555 |
67 |
21 |
17665 |
575.0 |
-3.8 |
0.341 |
6 |
1 |
0 |
0.033 |
6 |
|
E |
51 |
9 |
1366 |
◊ |
A |
x,y,z |
1_555 |
68 |
21 |
17672 |
573.4 |
-3.9 |
0.323 |
6 |
1 |
0 |
0.033 |
Average: |
574.2 |
-3.9 |
0.332 |
6 |
1 |
0 |
0.033 |
4 |
7 |
|
F |
55 |
9 |
1369 |
◊ |
B |
x,y,z |
1_555 |
68 |
20 |
18185 |
534.1 |
-5.8 |
0.301 |
6 |
1 |
0 |
0.246 |
8 |
|
H |
51 |
9 |
1362 |
◊ |
D |
x,y,z |
1_555 |
67 |
20 |
18174 |
532.9 |
-5.7 |
0.285 |
7 |
1 |
0 |
0.246 |
Average: |
533.5 |
-5.8 |
0.293 |
7 |
1 |
0 |
0.246 |
5 |
9 |
|
D |
50 |
15 |
18174 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
51 |
15 |
18185 |
504.3 |
-5.6 |
0.236 |
2 |
2 |
0 |
0.000 |
6 |
10 |
|
B |
53 |
18 |
18185 |
◊ |
C |
x,y,z |
1_555 |
57 |
17 |
17665 |
503.9 |
0.3 |
0.638 |
3 |
0 |
0 |
0.002 |
11 |
|
D |
50 |
17 |
18174 |
◊ |
A |
x-1,y,z |
1_455 |
53 |
17 |
17672 |
490.9 |
0.4 |
0.647 |
3 |
0 |
0 |
0.002 |
Average: |
497.4 |
0.4 |
0.643 |
3 |
0 |
0 |
0.002 |
7 |
12 |
|
A |
39 |
11 |
17672 |
◊ |
A |
-x,y,-z+1 |
2_556 |
39 |
11 |
17672 |
362.1 |
-4.9 |
0.195 |
2 |
2 |
0 |
0.000 |
13 |
|
C |
39 |
11 |
17665 |
◊ |
C |
-x-1,y,-z |
2_455 |
38 |
11 |
17665 |
344.5 |
-5.7 |
0.146 |
2 |
2 |
0 |
0.000 |
Average: |
353.3 |
-5.3 |
0.171 |
2 |
2 |
0 |
0.000 |
8 |
14 |
|
C |
26 |
9 |
17665 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
17672 |
241.9 |
-3.8 |
0.132 |
1 |
1 |
0 |
0.000 |
15 |
|
C |
21 |
7 |
17665 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
8 |
17672 |
236.7 |
-3.9 |
0.142 |
1 |
0 |
0 |
0.000 |
Average: |
239.3 |
-3.8 |
0.137 |
1 |
1 |
0 |
0.000 |
9 |
16 |
|
C |
24 |
8 |
17665 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
9 |
18185 |
236.2 |
-0.8 |
0.495 |
1 |
0 |
0 |
0.000 |
17 |
|
D |
28 |
10 |
18174 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
17672 |
230.9 |
-0.5 |
0.520 |
1 |
0 |
0 |
0.000 |
Average: |
233.6 |
-0.6 |
0.507 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
[SO4]D:1305 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
18174 |
93.9 |
-12.9 |
0.853 |
6 |
0 |
0 |
0.449 |
11 |
19 |
|
[SO4]B:1306 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
18185 |
93.6 |
-12.6 |
0.860 |
5 |
0 |
0 |
0.428 |
12 |
20 |
|
[SO4]C:1305 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
17665 |
91.0 |
-12.1 |
0.811 |
3 |
0 |
0 |
0.190 |
13 |
21 |
|
[SO4]A:1306 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
17672 |
88.8 |
-11.6 |
0.824 |
3 |
0 |
0 |
0.167 |
14 |
22 |
|
D |
9 |
2 |
18174 |
◊ |
C |
-x-1,y,-z |
2_455 |
11 |
3 |
17665 |
79.6 |
0.2 |
0.615 |
2 |
0 |
0 |
0.000 |
23 |
|
B |
6 |
2 |
18185 |
◊ |
A |
-x,y,-z+1 |
2_556 |
8 |
3 |
17672 |
53.6 |
0.0 |
0.602 |
2 |
0 |
0 |
0.000 |
Average: |
66.6 |
0.1 |
0.608 |
2 |
0 |
0 |
0.000 |
15 |
24 |
|
[SO4]B:1305 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
18185 |
77.8 |
-10.2 |
0.841 |
3 |
0 |
0 |
0.333 |
16 |
25 |
|
D |
14 |
5 |
18174 |
f |
[SO4]A:1305 |
x-1,y,z |
1_455 |
5 |
1 |
187 |
77.5 |
-10.2 |
0.838 |
4 |
0 |
0 |
0.345 |
17 |
26 |
|
[SO4]A:1305 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
17672 |
72.3 |
-10.2 |
0.731 |
2 |
0 |
0 |
0.018 |
18 |
27 |
|
[SO4]B:1305 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
17665 |
71.4 |
-10.1 |
0.735 |
2 |
0 |
0 |
0.021 |
19 |
28 |
|
[SO4]A:1307 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
17672 |
60.1 |
-7.5 |
0.771 |
1 |
0 |
0 |
0.103 |
20 |
29 |
|
[SO4]A:1307 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
18174 |
59.5 |
-7.4 |
0.748 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[SO4]A:1307 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
17665 |
53.1 |
-7.2 |
0.493 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
D |
2 |
1 |
18174 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
4 |
2 |
18185 |
37.7 |
1.4 |
0.873 |
0 |
0 |
0 |
0.000 |
32 |
|
D |
3 |
1 |
18174 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
2 |
1 |
18185 |
19.9 |
0.7 |
0.835 |
0 |
0 |
0 |
0.000 |
Average: |
28.8 |
1.1 |
0.854 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
[NI]B:1309 |
1 |
1 |
115 |
f |
[NI]B:1307 |
-x,y,-z |
2_555 |
1 |
1 |
115 |
15.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.020 |
24 |
34 |
|
[NI]B:1309 |
1 |
1 |
115 |
fx |
[NI]B:1308 |
x,y,z |
1_555 |
1 |
1 |
115 |
15.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.040 |
25 |
35 |
|
[NI]B:1310 |
1 |
1 |
115 |
f |
[NI]B:1310 |
-x,y,-z |
2_555 |
1 |
1 |
115 |
12.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
36 |
|
[NI]B:1308 |
1 |
1 |
115 |
fx |
[NI]B:1307 |
x,y,z |
1_555 |
1 |
1 |
115 |
11.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.031 |
27 |
37 |
|
[NI]B:1308 |
1 |
1 |
115 |
f |
[NI]B:1308 |
-x,y,-z |
2_555 |
1 |
1 |
115 |
11.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.008 |
|