| ## |
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 |
101 |
26 |
12373 |
◊ |
B |
x,y,z |
1_555 |
108 |
33 |
12208 |
1046.8 |
-9.6 |
0.150 |
14 |
9 |
0 |
0.289 |
2 |
|
C |
109 |
34 |
12278 |
◊ |
A |
-y,x-y,z |
2_555 |
99 |
26 |
12124 |
1045.3 |
-9.8 |
0.129 |
14 |
9 |
0 |
0.289 |
3 |
|
C |
101 |
26 |
12278 |
◊ |
A |
x,y,z |
1_555 |
109 |
33 |
12124 |
1040.5 |
-10.1 |
0.114 |
13 |
9 |
0 |
0.289 |
4 |
|
B |
102 |
26 |
12208 |
◊ |
D |
-y-1,x-y,z |
2_455 |
106 |
32 |
12373 |
1035.3 |
-10.0 |
0.131 |
13 |
9 |
0 |
0.289 |
| Average: |
1042.0 |
-9.9 |
0.131 |
14 |
9 |
0 |
0.289 |
| 2 |
5 |
|
A |
100 |
23 |
12124 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
101 |
23 |
12208 |
903.2 |
-5.7 |
0.361 |
8 |
4 |
0 |
0.098 |
6 |
|
C |
99 |
23 |
12278 |
◊ |
D |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
97 |
23 |
12373 |
883.3 |
-5.3 |
0.374 |
8 |
4 |
0 |
0.098 |
| Average: |
893.2 |
-5.5 |
0.367 |
8 |
4 |
0 |
0.098 |
| 3 |
7 |
|
B |
61 |
17 |
12208 |
◊ |
A |
x,y,z |
1_555 |
68 |
20 |
12124 |
564.6 |
-5.6 |
0.250 |
3 |
0 |
0 |
0.000 |
| 4 |
8 |
|
C |
43 |
11 |
12278 |
◊ |
B |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
47 |
11 |
12208 |
433.1 |
2.7 |
0.829 |
7 |
5 |
0 |
0.015 |
9 |
|
A |
43 |
11 |
12124 |
◊ |
D |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
45 |
11 |
12373 |
412.5 |
0.2 |
0.658 |
6 |
4 |
0 |
0.015 |
| Average: |
422.8 |
1.4 |
0.744 |
7 |
5 |
0 |
0.015 |
| 5 |
10 |
|
[SO4]D:401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
12373 |
123.6 |
-20.2 |
0.659 |
5 |
0 |
0 |
0.231 |
| 6 |
11 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
12208 |
123.4 |
-19.6 |
0.650 |
6 |
0 |
0 |
0.221 |
| 7 |
12 |
|
[SO4]C:401 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
23 |
14 |
12278 |
122.9 |
-19.5 |
0.649 |
6 |
0 |
0 |
0.227 |
| 8 |
13 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
12124 |
122.8 |
-19.4 |
0.653 |
6 |
0 |
0 |
0.219 |
| 9 |
14 |
|
[EDO]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
23 |
10 |
12208 |
115.9 |
3.5 |
0.448 |
1 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[EDO]C:403 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
12278 |
115.7 |
3.7 |
0.477 |
3 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
12124 |
100.3 |
3.5 |
0.456 |
2 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[SO4]B:402 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
12208 |
80.1 |
-11.2 |
0.888 |
4 |
0 |
0 |
0.129 |
| 13 |
18 |
|
[SO4]C:402 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12278 |
79.3 |
-10.9 |
0.887 |
4 |
0 |
0 |
0.130 |
| 14 |
19 |
|
[SO4]A:402 |
5 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
12124 |
78.8 |
-10.9 |
0.892 |
4 |
0 |
0 |
0.126 |
| 15 |
20 |
|
[SO4]D:402 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
12373 |
78.6 |
-10.9 |
0.890 |
4 |
0 |
0 |
0.130 |
| 16 |
21 |
|
D |
5 |
1 |
12373 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
12278 |
65.6 |
0.1 |
0.494 |
0 |
0 |
0 |
0.000 |
| 17 |
22 |
|
B |
8 |
4 |
12208 |
◊ |
D |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
6 |
3 |
12373 |
59.4 |
0.5 |
0.509 |
0 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[CL]D:403 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
12373 |
52.3 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.117 |
24 |
|
C |
9 |
4 |
12278 |
◊ |
[CL]D:403 |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
1 |
1 |
125 |
50.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.117 |
| Average: |
51.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.117 |
| 19 |
25 |
|
D |
9 |
5 |
12373 |
◊ |
C |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
7 |
5 |
12278 |
48.6 |
1.2 |
0.823 |
0 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[CL]A:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12278 |
44.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.120 |
27 |
|
[CL]D:405 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12373 |
44.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.120 |
28 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
12124 |
42.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.120 |
29 |
|
B |
7 |
4 |
12208 |
f |
[CL]D:404 |
-y-1,x-y,z |
2_455 |
1 |
1 |
125 |
42.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.120 |
| Average: |
43.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.120 |
| 21 |
30 |
|
[SO4]A:402 |
3 |
1 |
182 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
4 |
2 |
12208 |
40.6 |
-3.7 |
0.942 |
2 |
0 |
0 |
0.046 |
| 22 |
31 |
|
C |
4 |
2 |
12278 |
◊ |
[SO4]D:402 |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
3 |
1 |
185 |
38.9 |
-3.4 |
0.945 |
2 |
0 |
0 |
0.044 |
| 23 |
32 |
|
A |
3 |
1 |
12124 |
◊ |
[SO4]B:402 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
4 |
1 |
183 |
38.3 |
-3.5 |
0.955 |
2 |
0 |
0 |
0.044 |
| 24 |
33 |
|
[SO4]C:402 |
4 |
1 |
183 |
◊ |
D |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
3 |
1 |
12373 |
38.2 |
-3.4 |
0.956 |
2 |
0 |
0 |
0.044 |
| 25 |
34 |
|
[EDO]A:403 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
12208 |
36.3 |
-0.4 |
0.067 |
0 |
0 |
0 |
0.004 |
| 26 |
35 |
|
C |
4 |
3 |
12278 |
◊ |
[CL]A:405 |
-y,x-y,z |
2_555 |
1 |
1 |
125 |
35.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.054 |
36 |
|
[CL]D:404 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
12373 |
32.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.054 |
37 |
|
[CL]D:405 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12208 |
32.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.054 |
38 |
|
[CL]A:404 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
12124 |
32.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.054 |
| Average: |
33.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.054 |
| 27 |
39 |
|
[EDO]B:403 |
1 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
12124 |
18.8 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
| 28 |
40 |
|
C |
3 |
2 |
12278 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12208 |
18.0 |
0.0 |
0.566 |
0 |
0 |
0 |
0.000 |
| 29 |
41 |
|
C |
1 |
1 |
12278 |
◊ |
A |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
1 |
1 |
12124 |
7.8 |
0.3 |
0.843 |
0 |
0 |
0 |
0.000 |
|