## |
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 |
217 |
63 |
12513 |
◊ |
L |
x,y,z |
1_555 |
221 |
63 |
11496 |
2014.6 |
-28.1 |
0.057 |
14 |
0 |
0 |
0.798 |
2 |
|
h |
207 |
59 |
12551 |
◊ |
l |
x,y,z |
1_555 |
216 |
59 |
11306 |
1953.1 |
-24.9 |
0.107 |
15 |
1 |
0 |
0.798 |
Average: |
1983.9 |
-26.5 |
0.082 |
15 |
1 |
0 |
0.798 |
2 |
3 |
|
A |
124 |
12 |
3086 |
◊ |
R |
x,y,z |
1_555 |
145 |
22 |
7974 |
1136.7 |
-15.9 |
0.889 |
22 |
0 |
0 |
1.000 |
4 |
|
a |
126 |
12 |
3094 |
◊ |
r |
x,y,z |
1_555 |
144 |
22 |
8004 |
1101.9 |
-15.8 |
0.895 |
22 |
0 |
0 |
1.000 |
Average: |
1119.3 |
-15.8 |
0.892 |
22 |
0 |
0 |
1.000 |
3 |
5 |
|
R |
85 |
7 |
7974 |
◊ |
H |
x,y,z |
1_555 |
73 |
19 |
12513 |
662.6 |
-2.4 |
0.922 |
11 |
0 |
0 |
0.000 |
6 |
|
r |
81 |
7 |
8004 |
◊ |
h |
x,y,z |
1_555 |
75 |
18 |
12551 |
646.4 |
-3.4 |
0.853 |
13 |
0 |
0 |
0.000 |
Average: |
654.5 |
-2.9 |
0.888 |
12 |
0 |
0 |
0.000 |
4 |
7 |
|
L |
39 |
14 |
11496 |
◊ |
l |
x,y,z-1 |
1_554 |
31 |
10 |
11306 |
346.1 |
-1.8 |
0.511 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
H |
25 |
9 |
12513 |
x |
H |
x-1,y,z |
1_455 |
21 |
6 |
12513 |
205.9 |
1.2 |
0.849 |
4 |
3 |
0 |
0.000 |
9 |
|
h |
19 |
8 |
12551 |
x |
h |
x-1,y,z |
1_455 |
14 |
4 |
12551 |
121.8 |
-0.1 |
0.693 |
4 |
0 |
0 |
0.000 |
Average: |
163.8 |
0.6 |
0.771 |
4 |
2 |
0 |
0.000 |
6 |
10 |
|
h |
23 |
6 |
12551 |
◊ |
R |
x,y-1,z+1 |
1_546 |
24 |
6 |
7974 |
176.2 |
-0.3 |
0.854 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
H |
19 |
5 |
12513 |
◊ |
r |
x-1,y+1,z-1 |
1_464 |
20 |
4 |
8004 |
171.1 |
-1.3 |
0.784 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
r |
28 |
3 |
8004 |
◊ |
A |
x,y-1,z+2 |
1_547 |
20 |
1 |
3086 |
153.0 |
3.0 |
0.933 |
0 |
0 |
0 |
0.000 |
13 |
|
R |
28 |
3 |
7974 |
◊ |
a |
x-1,y+1,z-2 |
1_463 |
17 |
1 |
3094 |
144.3 |
2.3 |
0.913 |
0 |
0 |
0 |
0.000 |
Average: |
148.6 |
2.6 |
0.923 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
L |
15 |
8 |
11496 |
◊ |
r |
x-1,y,z-1 |
1_454 |
20 |
6 |
8004 |
139.6 |
-2.7 |
0.592 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
L |
13 |
7 |
11496 |
◊ |
l |
x-1,y,z-1 |
1_454 |
16 |
8 |
11306 |
118.0 |
-0.7 |
0.530 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
H |
17 |
8 |
12513 |
◊ |
h |
x-1,y+1,z-1 |
1_464 |
19 |
7 |
12551 |
117.6 |
1.2 |
0.828 |
2 |
0 |
0 |
0.000 |
12 |
17 |
|
L |
15 |
5 |
11496 |
◊ |
a |
x-1,y,z-1 |
1_454 |
13 |
2 |
3094 |
116.9 |
0.4 |
0.729 |
2 |
0 |
0 |
0.000 |
13 |
18 |
|
r |
11 |
1 |
8004 |
◊ |
l |
x,y,z |
1_555 |
15 |
6 |
11306 |
112.0 |
1.3 |
0.597 |
0 |
0 |
0 |
0.000 |
19 |
|
R |
8 |
1 |
7974 |
◊ |
L |
x,y,z |
1_555 |
13 |
6 |
11496 |
94.7 |
1.7 |
0.672 |
0 |
0 |
0 |
0.000 |
Average: |
103.3 |
1.5 |
0.635 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
R |
20 |
5 |
7974 |
◊ |
l |
x,y,z-1 |
1_554 |
14 |
6 |
11306 |
107.9 |
-2.1 |
0.610 |
0 |
0 |
0 |
0.000 |
15 |
21 |
|
H |
10 |
4 |
12513 |
◊ |
R |
x-1,y,z |
1_455 |
12 |
1 |
7974 |
107.8 |
1.8 |
0.900 |
1 |
0 |
0 |
0.000 |
22 |
|
h |
8 |
2 |
12551 |
◊ |
r |
x-1,y,z |
1_455 |
14 |
1 |
8004 |
81.1 |
1.0 |
0.877 |
2 |
0 |
0 |
0.000 |
Average: |
94.5 |
1.4 |
0.889 |
2 |
0 |
0 |
0.000 |
16 |
23 |
|
R |
11 |
1 |
7974 |
◊ |
r |
x-1,y+1,z-2 |
1_463 |
14 |
1 |
8004 |
96.2 |
-0.8 |
0.763 |
0 |
0 |
0 |
0.000 |
17 |
24 |
|
r |
9 |
1 |
8004 |
◊ |
R |
x,y-1,z+2 |
1_547 |
11 |
1 |
7974 |
84.9 |
0.8 |
0.852 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
h |
8 |
3 |
12551 |
◊ |
a |
x-1,y+1,z-1 |
1_464 |
13 |
4 |
3094 |
74.8 |
-2.9 |
0.438 |
3 |
0 |
0 |
0.000 |
19 |
26 |
|
r |
5 |
2 |
8004 |
◊ |
a |
x-1,y,z |
1_455 |
11 |
3 |
3094 |
70.4 |
0.1 |
0.707 |
1 |
0 |
0 |
0.000 |
27 |
|
R |
5 |
2 |
7974 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
3086 |
59.7 |
-2.1 |
0.476 |
0 |
0 |
0 |
0.000 |
Average: |
65.1 |
-1.0 |
0.591 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
h |
9 |
5 |
12551 |
◊ |
H |
x,y-1,z+1 |
1_546 |
9 |
3 |
12513 |
69.8 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[SO4]l:301 |
5 |
1 |
184 |
f |
l |
x,y,z |
1_555 |
8 |
4 |
11306 |
68.1 |
-8.7 |
0.914 |
3 |
0 |
0 |
0.241 |
22 |
30 |
|
l |
7 |
4 |
11306 |
◊ |
h |
x-1,y,z |
1_455 |
7 |
5 |
12551 |
64.7 |
-0.9 |
0.395 |
0 |
0 |
0 |
0.000 |
31 |
|
L |
4 |
3 |
11496 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
2 |
12513 |
18.3 |
0.3 |
0.768 |
0 |
0 |
0 |
0.000 |
Average: |
41.5 |
-0.3 |
0.581 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[SO4]L:301 |
4 |
1 |
184 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
11496 |
59.6 |
-7.3 |
0.901 |
3 |
0 |
0 |
0.202 |
24 |
33 |
|
H |
6 |
2 |
12513 |
◊ |
l |
x,y,z |
1_555 |
3 |
1 |
11306 |
48.1 |
-0.0 |
0.640 |
0 |
0 |
0 |
0.000 |
34 |
|
L |
3 |
2 |
11496 |
◊ |
h |
x-1,y,z |
1_455 |
5 |
3 |
12551 |
31.1 |
1.0 |
0.871 |
1 |
0 |
0 |
0.000 |
Average: |
39.6 |
0.5 |
0.755 |
1 |
0 |
0 |
0.000 |
25 |
35 |
|
A |
7 |
2 |
3086 |
◊ |
l |
x,y,z-1 |
1_554 |
11 |
4 |
11306 |
46.3 |
-0.6 |
0.577 |
0 |
0 |
0 |
0.000 |
26 |
36 |
|
h |
6 |
4 |
12551 |
◊ |
r |
x-1,y+1,z-1 |
1_464 |
7 |
3 |
8004 |
30.0 |
-1.0 |
0.608 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[SO4]L:301 |
3 |
1 |
184 |
◊ |
l |
x,y,z-1 |
1_554 |
2 |
1 |
11306 |
27.4 |
-3.3 |
0.676 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
L |
5 |
2 |
11496 |
x |
L |
x-1,y,z |
1_455 |
1 |
1 |
11496 |
17.6 |
0.6 |
0.732 |
0 |
0 |
0 |
0.000 |
29 |
39 |
|
L |
1 |
1 |
11496 |
◊ |
R |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
7974 |
12.3 |
-0.2 |
0.458 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
H |
1 |
1 |
12513 |
◊ |
R |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
7974 |
0.1 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
|