## |
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 |
|
H |
208 |
63 |
12267 |
◊ |
L |
x,y,z |
1_555 |
203 |
59 |
11920 |
1830.4 |
-28.3 |
0.043 |
11 |
1 |
0 |
0.786 |
2 |
|
h |
201 |
59 |
12301 |
◊ |
l |
x,y,z |
1_555 |
194 |
56 |
11598 |
1784.1 |
-25.3 |
0.097 |
10 |
1 |
0 |
0.786 |
Average: |
1807.2 |
-26.8 |
0.070 |
11 |
1 |
0 |
0.786 |
2 |
3 |
|
A |
128 |
12 |
3115 |
◊ |
R |
x,y,z |
1_555 |
146 |
22 |
8190 |
1163.7 |
-14.5 |
0.893 |
27 |
0 |
0 |
1.000 |
4 |
|
a |
118 |
12 |
3124 |
◊ |
r |
x,y,z |
1_555 |
139 |
22 |
8061 |
1101.9 |
-11.9 |
0.886 |
23 |
0 |
0 |
1.000 |
Average: |
1132.8 |
-13.2 |
0.890 |
25 |
0 |
0 |
1.000 |
3 |
5 |
|
R |
83 |
8 |
8190 |
◊ |
H |
x,y,z |
1_555 |
73 |
19 |
12267 |
648.2 |
-0.8 |
0.958 |
9 |
0 |
0 |
0.000 |
6 |
|
r |
81 |
7 |
8061 |
◊ |
h |
x,y,z |
1_555 |
69 |
18 |
12301 |
640.0 |
-3.2 |
0.887 |
12 |
0 |
0 |
0.000 |
Average: |
644.1 |
-2.0 |
0.922 |
11 |
0 |
0 |
0.000 |
4 |
7 |
|
L |
39 |
16 |
11920 |
◊ |
l |
x,y,z-1 |
1_554 |
35 |
11 |
11598 |
375.2 |
-1.6 |
0.535 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
h |
26 |
7 |
12301 |
◊ |
R |
x,y-1,z+1 |
1_546 |
25 |
6 |
8190 |
199.5 |
-0.5 |
0.831 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
H |
27 |
10 |
12267 |
x |
H |
x-1,y,z |
1_455 |
23 |
7 |
12267 |
197.0 |
0.3 |
0.763 |
4 |
4 |
0 |
0.000 |
10 |
|
h |
18 |
7 |
12301 |
x |
h |
x-1,y,z |
1_455 |
12 |
3 |
12301 |
119.3 |
-0.1 |
0.688 |
4 |
0 |
0 |
0.000 |
Average: |
158.2 |
0.1 |
0.726 |
4 |
2 |
0 |
0.000 |
7 |
11 |
|
H |
20 |
5 |
12267 |
◊ |
r |
x-1,y+1,z-1 |
1_464 |
23 |
6 |
8061 |
180.4 |
-3.0 |
0.612 |
1 |
0 |
0 |
0.000 |
8 |
12 |
|
r |
28 |
3 |
8061 |
◊ |
A |
x,y-1,z+2 |
1_547 |
19 |
1 |
3115 |
158.7 |
2.7 |
0.917 |
0 |
0 |
0 |
0.000 |
13 |
|
R |
28 |
3 |
8190 |
◊ |
a |
x-1,y+1,z-2 |
1_463 |
18 |
1 |
3124 |
145.9 |
2.1 |
0.898 |
0 |
0 |
0 |
0.000 |
Average: |
152.3 |
2.4 |
0.908 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
L |
19 |
6 |
11920 |
◊ |
r |
x-1,y,z-1 |
1_454 |
21 |
6 |
8061 |
148.0 |
-1.7 |
0.656 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
H |
17 |
7 |
12267 |
◊ |
h |
x-1,y+1,z-1 |
1_464 |
19 |
7 |
12301 |
115.5 |
0.4 |
0.762 |
2 |
0 |
0 |
0.000 |
11 |
16 |
|
R |
14 |
1 |
8190 |
◊ |
r |
x-1,y+1,z-2 |
1_463 |
14 |
1 |
8061 |
114.5 |
-2.1 |
0.707 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
h |
15 |
4 |
12301 |
◊ |
r |
x-1,y+1,z-1 |
1_464 |
14 |
4 |
8061 |
108.6 |
-3.0 |
0.401 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
r |
9 |
1 |
8061 |
◊ |
l |
x,y,z |
1_555 |
16 |
5 |
11598 |
104.2 |
1.2 |
0.648 |
1 |
0 |
0 |
0.000 |
19 |
|
R |
8 |
1 |
8190 |
◊ |
L |
x,y,z |
1_555 |
15 |
5 |
11920 |
99.5 |
1.5 |
0.640 |
0 |
0 |
0 |
0.000 |
Average: |
101.8 |
1.3 |
0.644 |
1 |
0 |
0 |
0.000 |
14 |
20 |
|
H |
12 |
4 |
12267 |
◊ |
R |
x-1,y,z |
1_455 |
13 |
1 |
8190 |
102.4 |
1.3 |
0.884 |
2 |
0 |
0 |
0.000 |
21 |
|
h |
8 |
2 |
12301 |
◊ |
r |
x-1,y,z |
1_455 |
14 |
1 |
8061 |
87.1 |
1.2 |
0.885 |
3 |
0 |
0 |
0.000 |
Average: |
94.7 |
1.2 |
0.884 |
3 |
0 |
0 |
0.000 |
15 |
22 |
|
L |
13 |
4 |
11920 |
◊ |
a |
x-1,y,z-1 |
1_454 |
11 |
2 |
3124 |
90.6 |
-0.6 |
0.570 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
h |
10 |
5 |
12301 |
◊ |
H |
x,y-1,z+1 |
1_546 |
10 |
4 |
12267 |
87.6 |
0.5 |
0.774 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
L |
10 |
4 |
11920 |
◊ |
l |
x-1,y,z-1 |
1_454 |
13 |
8 |
11598 |
87.5 |
-1.3 |
0.385 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
H |
8 |
4 |
12267 |
◊ |
R |
x-1,y-1,z+1 |
1_446 |
13 |
3 |
8190 |
85.4 |
-2.4 |
0.561 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
r |
10 |
2 |
8061 |
◊ |
a |
x-1,y,z |
1_455 |
13 |
3 |
3124 |
77.1 |
1.0 |
0.781 |
0 |
0 |
0 |
0.000 |
27 |
|
R |
2 |
1 |
8190 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
3115 |
5.9 |
-0.2 |
0.338 |
0 |
0 |
0 |
0.000 |
Average: |
41.5 |
0.4 |
0.560 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
r |
9 |
1 |
8061 |
◊ |
R |
x,y-1,z+2 |
1_547 |
11 |
1 |
8190 |
76.3 |
-0.1 |
0.780 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
h |
7 |
2 |
12301 |
◊ |
a |
x-1,y+1,z-1 |
1_464 |
11 |
3 |
3124 |
74.0 |
-3.3 |
0.333 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
R |
17 |
5 |
8190 |
◊ |
l |
x,y,z-1 |
1_554 |
9 |
5 |
11598 |
73.2 |
-1.5 |
0.451 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
l |
11 |
5 |
11598 |
◊ |
h |
x-1,y,z |
1_455 |
9 |
4 |
12301 |
72.0 |
-1.0 |
0.449 |
0 |
0 |
0 |
0.000 |
32 |
|
L |
6 |
4 |
11920 |
◊ |
H |
x-1,y,z |
1_455 |
7 |
3 |
12267 |
49.4 |
-0.3 |
0.566 |
0 |
0 |
0 |
0.000 |
Average: |
60.7 |
-0.7 |
0.507 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[SO4]l:301 |
5 |
1 |
186 |
f |
l |
x,y,z |
1_555 |
7 |
4 |
11598 |
68.9 |
-8.7 |
0.937 |
3 |
0 |
0 |
0.251 |
25 |
34 |
|
[SO4]L:301 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
8 |
5 |
11920 |
67.5 |
-7.8 |
0.937 |
3 |
0 |
0 |
0.214 |
26 |
35 |
|
A |
5 |
1 |
3115 |
◊ |
l |
x,y,z-1 |
1_554 |
7 |
2 |
11598 |
33.5 |
-1.1 |
0.473 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
H |
4 |
2 |
12267 |
◊ |
l |
x,y,z |
1_555 |
3 |
1 |
11598 |
27.9 |
-0.5 |
0.389 |
0 |
0 |
0 |
0.000 |
37 |
|
L |
2 |
1 |
11920 |
◊ |
h |
x-1,y,z |
1_455 |
3 |
2 |
12301 |
20.2 |
0.9 |
0.857 |
1 |
0 |
0 |
0.000 |
Average: |
24.0 |
0.2 |
0.623 |
1 |
0 |
0 |
0.000 |
28 |
38 |
|
[SO4]L:301 |
3 |
1 |
185 |
◊ |
l |
x,y,z-1 |
1_554 |
2 |
1 |
11598 |
26.8 |
-2.7 |
0.939 |
1 |
0 |
0 |
0.000 |
29 |
39 |
|
r |
1 |
1 |
8061 |
x |
r |
x-1,y,z |
1_455 |
3 |
1 |
8061 |
19.9 |
-0.7 |
0.535 |
1 |
0 |
0 |
0.000 |
30 |
40 |
|
L |
2 |
1 |
11920 |
x |
L |
x-1,y,z |
1_455 |
2 |
1 |
11920 |
17.6 |
0.5 |
0.748 |
0 |
0 |
0 |
0.000 |
41 |
|
l |
1 |
1 |
11598 |
x |
l |
x-1,y,z |
1_455 |
2 |
1 |
11598 |
8.4 |
-0.3 |
0.321 |
0 |
0 |
0 |
0.000 |
Average: |
13.0 |
0.1 |
0.534 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
L |
4 |
1 |
11920 |
◊ |
[SO4]l:301 |
x-1,y,z-1 |
1_454 |
2 |
1 |
186 |
13.8 |
-1.5 |
0.838 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
L |
1 |
1 |
11920 |
◊ |
R |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
8190 |
5.0 |
-0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
33 |
44 |
|
l |
1 |
1 |
11598 |
◊ |
r |
x-1,y+1,z-1 |
1_464 |
1 |
1 |
8061 |
0.9 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
|