## |
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 |
|
C |
110 |
28 |
43086 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
121 |
28 |
43575 |
1118.0 |
-18.7 |
0.007 |
2 |
0 |
0 |
0.535 |
2 |
|
D |
78 |
22 |
44840 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
81 |
23 |
43680 |
741.0 |
-7.1 |
0.141 |
4 |
2 |
0 |
0.535 |
Average: |
929.5 |
-12.9 |
0.074 |
3 |
1 |
0 |
0.535 |
2 |
3 |
|
E |
104 |
12 |
4409 |
◊ |
A |
x,y,z |
1_555 |
129 |
40 |
43575 |
912.5 |
-5.6 |
0.598 |
8 |
0 |
0 |
0.165 |
3 |
4 |
|
I |
100 |
11 |
4125 |
◊ |
C |
x,y,z |
1_555 |
124 |
38 |
43086 |
898.6 |
-3.6 |
0.669 |
8 |
0 |
0 |
0.105 |
4 |
5 |
|
C |
96 |
27 |
43086 |
◊ |
B |
x,y-1,z |
1_545 |
83 |
29 |
43680 |
817.0 |
-3.3 |
0.297 |
7 |
4 |
0 |
0.000 |
5 |
6 |
|
G |
89 |
10 |
3982 |
◊ |
B |
x,y,z |
1_555 |
110 |
34 |
43680 |
789.6 |
-6.1 |
0.581 |
8 |
0 |
0 |
0.130 |
6 |
7 |
|
J |
76 |
8 |
3540 |
◊ |
C |
x,y,z |
1_555 |
108 |
40 |
43086 |
789.3 |
-12.9 |
0.359 |
13 |
0 |
0 |
0.524 |
8 |
|
H |
61 |
7 |
3143 |
◊ |
B |
x,y,z |
1_555 |
73 |
22 |
43680 |
609.8 |
-7.8 |
0.499 |
13 |
0 |
0 |
0.524 |
Average: |
699.6 |
-10.4 |
0.429 |
13 |
0 |
0 |
0.524 |
7 |
9 |
|
D |
92 |
31 |
44840 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
76 |
27 |
44840 |
739.0 |
-4.1 |
0.280 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
A |
75 |
20 |
43575 |
x |
A |
-x,y-1/2,-z |
2_545 |
70 |
21 |
43575 |
694.7 |
-2.3 |
0.304 |
5 |
3 |
0 |
0.000 |
9 |
11 |
|
J |
69 |
15 |
3540 |
◊ |
I |
x,y,z |
1_555 |
69 |
14 |
4125 |
674.5 |
-5.7 |
0.699 |
40 |
0 |
0 |
1.000 |
10 |
12 |
|
B |
66 |
21 |
43680 |
◊ |
A |
x,y,z |
1_555 |
74 |
24 |
43575 |
654.0 |
5.7 |
0.871 |
8 |
6 |
0 |
0.000 |
11 |
13 |
|
F |
67 |
14 |
3418 |
◊ |
E |
x,y,z |
1_555 |
68 |
14 |
4409 |
644.9 |
-4.8 |
0.717 |
38 |
0 |
0 |
0.739 |
12 |
14 |
|
F |
73 |
9 |
3418 |
◊ |
A |
x,y,z |
1_555 |
79 |
27 |
43575 |
601.2 |
-11.2 |
0.477 |
10 |
0 |
0 |
0.606 |
13 |
15 |
|
H |
65 |
13 |
3143 |
◊ |
G |
x,y,z |
1_555 |
62 |
13 |
3982 |
599.0 |
-6.7 |
0.664 |
38 |
0 |
0 |
0.710 |
14 |
16 |
|
K |
61 |
8 |
3516 |
◊ |
D |
x,y,z |
1_555 |
68 |
18 |
44840 |
527.0 |
-9.4 |
0.323 |
4 |
0 |
0 |
0.324 |
15 |
17 |
|
L |
53 |
11 |
2647 |
◊ |
K |
x,y,z |
1_555 |
45 |
11 |
3516 |
485.5 |
-3.5 |
0.662 |
20 |
0 |
0 |
1.000 |
16 |
18 |
|
D |
67 |
27 |
44840 |
◊ |
C |
x,y,z |
1_555 |
62 |
25 |
43086 |
472.3 |
4.6 |
0.878 |
4 |
1 |
0 |
0.000 |
17 |
19 |
|
D |
57 |
19 |
44840 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
36 |
3 |
4409 |
434.5 |
0.5 |
0.649 |
5 |
0 |
0 |
0.007 |
18 |
20 |
|
C |
52 |
18 |
43086 |
◊ |
G |
-x-1,y-1/2,-z+1 |
2_446 |
37 |
3 |
3982 |
428.1 |
1.6 |
0.751 |
10 |
0 |
0 |
0.012 |
19 |
21 |
|
C |
38 |
13 |
43086 |
◊ |
B |
x,y,z |
1_555 |
54 |
20 |
43680 |
412.2 |
-0.7 |
0.562 |
5 |
1 |
0 |
0.000 |
20 |
22 |
|
K |
31 |
3 |
3516 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
48 |
16 |
43575 |
385.4 |
0.5 |
0.689 |
8 |
0 |
0 |
0.013 |
21 |
23 |
|
I |
31 |
2 |
4125 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
47 |
17 |
43680 |
371.4 |
0.8 |
0.717 |
9 |
0 |
0 |
0.013 |
22 |
24 |
|
C |
38 |
15 |
43086 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
36 |
11 |
43575 |
320.2 |
-3.5 |
0.262 |
2 |
0 |
0 |
0.000 |
23 |
25 |
|
L |
23 |
5 |
2647 |
◊ |
D |
x,y,z |
1_555 |
23 |
11 |
44840 |
226.2 |
-4.3 |
0.416 |
5 |
0 |
0 |
0.189 |
24 |
26 |
|
D |
21 |
7 |
44840 |
◊ |
B |
x,y-1,z |
1_545 |
35 |
9 |
43680 |
214.5 |
1.6 |
0.759 |
1 |
0 |
0 |
0.000 |
25 |
27 |
|
[5OC]I:3 |
19 |
1 |
445 |
◊ |
C |
x,y,z |
1_555 |
31 |
12 |
43086 |
203.7 |
-3.3 |
0.404 |
4 |
0 |
0 |
0.075 |
26 |
28 |
|
[5OC]E:3 |
18 |
1 |
457 |
cf |
E |
x,y,z |
1_555 |
25 |
3 |
4409 |
173.0 |
1.8 |
0.715 |
0 |
0 |
0 |
0.000 |
27 |
29 |
|
D |
20 |
7 |
44840 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
15 |
2 |
3418 |
142.8 |
0.0 |
0.655 |
1 |
0 |
0 |
0.005 |
30 |
|
C |
16 |
7 |
43086 |
◊ |
H |
-x-1,y-1/2,-z+1 |
2_446 |
12 |
2 |
3143 |
126.5 |
-0.3 |
0.584 |
1 |
0 |
0 |
0.005 |
Average: |
134.7 |
-0.2 |
0.620 |
1 |
0 |
0 |
0.005 |
28 |
31 |
|
D |
15 |
5 |
44840 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
43575 |
139.7 |
-2.2 |
0.182 |
0 |
0 |
0 |
0.000 |
29 |
32 |
|
D |
20 |
7 |
44840 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
21 |
9 |
43680 |
131.8 |
-1.9 |
0.325 |
0 |
0 |
0 |
0.000 |
30 |
33 |
|
[5OC]I:3 |
14 |
1 |
445 |
cf |
I |
x,y,z |
1_555 |
13 |
2 |
4125 |
129.6 |
2.2 |
0.741 |
0 |
0 |
0 |
0.000 |
31 |
34 |
|
[SO4]C:907 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
43086 |
117.4 |
-17.0 |
0.628 |
0 |
0 |
0 |
0.476 |
32 |
35 |
|
L |
8 |
2 |
2647 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
13 |
5 |
43575 |
99.6 |
-1.2 |
0.483 |
2 |
0 |
0 |
0.009 |
33 |
36 |
|
D |
13 |
5 |
44840 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
8 |
4 |
43575 |
98.5 |
0.7 |
0.663 |
1 |
0 |
0 |
0.000 |
34 |
37 |
|
[SO4]B:907 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
43680 |
93.2 |
-13.4 |
0.666 |
1 |
0 |
0 |
0.388 |
35 |
38 |
|
B |
9 |
2 |
43680 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
43575 |
88.3 |
-0.4 |
0.505 |
0 |
1 |
0 |
0.002 |
36 |
39 |
|
[5OC]G:3 |
4 |
1 |
177 |
◊ |
B |
x,y,z |
1_555 |
16 |
8 |
43680 |
85.0 |
-3.2 |
0.576 |
2 |
0 |
0 |
0.055 |
37 |
40 |
|
[5OC]E:3 |
8 |
1 |
457 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
43575 |
84.5 |
-1.2 |
0.491 |
0 |
0 |
0 |
0.022 |
38 |
41 |
|
[5OC]K:3 |
4 |
1 |
176 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
44840 |
78.5 |
-3.5 |
0.563 |
2 |
0 |
0 |
0.128 |
39 |
42 |
|
[SO4]F:3 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
12 |
2 |
3418 |
72.9 |
-9.7 |
0.888 |
1 |
0 |
0 |
0.394 |
40 |
43 |
|
[SO4]H:2 |
4 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
13 |
2 |
3143 |
61.5 |
-7.5 |
0.860 |
2 |
0 |
0 |
0.252 |
41 |
44 |
|
[5OC]G:3 |
4 |
1 |
177 |
cf |
G |
x,y,z |
1_555 |
5 |
1 |
3982 |
54.2 |
-0.2 |
0.725 |
0 |
0 |
0 |
0.100 |
42 |
45 |
|
[5OC]K:3 |
4 |
1 |
176 |
cf |
K |
x,y,z |
1_555 |
6 |
2 |
3516 |
52.1 |
0.0 |
0.712 |
0 |
0 |
0 |
0.000 |
43 |
46 |
|
C |
7 |
3 |
43086 |
◊ |
[SO4]H:2 |
-x-1,y-1/2,-z+1 |
2_446 |
4 |
1 |
187 |
49.0 |
-6.2 |
0.724 |
0 |
0 |
0 |
0.026 |
44 |
47 |
|
D |
6 |
2 |
44840 |
◊ |
[SO4]F:3 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
187 |
44.3 |
-5.8 |
0.744 |
0 |
0 |
0 |
0.024 |
45 |
48 |
|
A |
5 |
3 |
43575 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
5 |
3 |
4409 |
33.6 |
-2.0 |
0.252 |
0 |
0 |
0 |
0.000 |
46 |
49 |
|
[5OC]I:3 |
10 |
1 |
445 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
3540 |
33.3 |
1.6 |
0.725 |
0 |
0 |
0 |
0.000 |
47 |
50 |
|
C |
2 |
1 |
43086 |
◊ |
G |
x,y-1,z |
1_545 |
6 |
2 |
3982 |
29.4 |
-1.5 |
0.198 |
0 |
0 |
0 |
0.000 |
48 |
51 |
|
C |
5 |
4 |
43086 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
6 |
5 |
43680 |
25.2 |
0.4 |
0.666 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[5OC]E:3 |
4 |
1 |
457 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
3418 |
23.7 |
0.7 |
0.638 |
0 |
0 |
0 |
0.000 |
50 |
53 |
|
J |
5 |
2 |
3540 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
4 |
2 |
43680 |
22.0 |
-0.7 |
0.442 |
0 |
0 |
0 |
0.003 |
51 |
54 |
|
D |
3 |
2 |
44840 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
43575 |
17.8 |
1.1 |
0.889 |
0 |
0 |
0 |
0.000 |
52 |
55 |
|
C |
2 |
1 |
43086 |
◊ |
[SO4]B:907 |
x,y-1,z |
1_545 |
2 |
1 |
186 |
7.1 |
-0.9 |
0.774 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
J |
3 |
2 |
3540 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
43680 |
6.5 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
K |
1 |
1 |
3516 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
43680 |
6.3 |
0.3 |
0.710 |
0 |
0 |
0 |
0.000 |
55 |
58 |
|
[SO4]H:2 |
2 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
3982 |
5.9 |
-1.0 |
0.407 |
0 |
0 |
0 |
0.031 |
|