## |
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 |
209 |
49 |
11004 |
◊ |
A |
x,y,z |
1_555 |
203 |
48 |
11152 |
1965.8 |
-15.7 |
0.189 |
23 |
12 |
0 |
0.194 |
2 |
|
D |
199 |
48 |
10769 |
◊ |
C |
x,y,z |
1_555 |
197 |
48 |
11217 |
1931.4 |
-13.8 |
0.249 |
23 |
10 |
0 |
0.194 |
Average: |
1948.6 |
-14.7 |
0.219 |
23 |
11 |
0 |
0.194 |
2 |
3 |
|
C |
57 |
18 |
11217 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
45 |
14 |
11004 |
451.9 |
-2.1 |
0.460 |
3 |
0 |
0 |
0.022 |
4 |
|
D |
48 |
15 |
10769 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
55 |
16 |
11152 |
440.1 |
-1.8 |
0.504 |
3 |
0 |
0 |
0.022 |
Average: |
446.0 |
-1.9 |
0.482 |
3 |
0 |
0 |
0.022 |
3 |
5 |
|
D |
38 |
8 |
10769 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
41 |
8 |
11004 |
423.2 |
-3.4 |
0.339 |
8 |
8 |
0 |
0.000 |
4 |
6 |
|
[ADX]D:1306 |
26 |
1 |
559 |
f |
D |
x,y,z |
1_555 |
46 |
20 |
10769 |
355.9 |
-9.5 |
0.309 |
12 |
0 |
0 |
0.262 |
7 |
|
[ADX]B:1303 |
26 |
1 |
549 |
f |
B |
x,y,z |
1_555 |
49 |
21 |
11004 |
350.8 |
-9.0 |
0.365 |
11 |
0 |
0 |
0.262 |
Average: |
353.4 |
-9.2 |
0.337 |
12 |
0 |
0 |
0.262 |
5 |
8 |
|
[ADP]A:1301 |
26 |
1 |
562 |
f |
A |
x,y,z |
1_555 |
42 |
16 |
11152 |
324.4 |
-4.1 |
0.615 |
10 |
0 |
0 |
0.177 |
9 |
|
[ADP]C:1304 |
26 |
1 |
562 |
f |
C |
x,y,z |
1_555 |
43 |
16 |
11217 |
323.5 |
-4.3 |
0.622 |
10 |
0 |
0 |
0.177 |
10 |
|
[ADP]D:1305 |
26 |
1 |
559 |
f |
D |
x,y,z |
1_555 |
44 |
16 |
10769 |
318.5 |
-5.0 |
0.507 |
11 |
0 |
0 |
0.177 |
11 |
|
[ADP]B:1302 |
26 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
44 |
14 |
11004 |
307.4 |
-4.6 |
0.543 |
11 |
0 |
0 |
0.177 |
Average: |
318.5 |
-4.5 |
0.572 |
11 |
0 |
0 |
0.177 |
6 |
12 |
|
D |
39 |
11 |
10769 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
12 |
11004 |
310.2 |
-2.3 |
0.402 |
5 |
0 |
0 |
0.042 |
7 |
13 |
|
C |
32 |
11 |
11217 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
9 |
11152 |
244.7 |
-1.4 |
0.469 |
4 |
0 |
0 |
0.010 |
8 |
14 |
|
C |
21 |
7 |
11217 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
6 |
11004 |
188.0 |
0.1 |
0.599 |
5 |
2 |
0 |
0.000 |
9 |
15 |
|
C |
16 |
5 |
11217 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
6 |
11152 |
145.5 |
-1.8 |
0.340 |
0 |
0 |
0 |
0.006 |
10 |
16 |
|
[SO4]A:1002 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
11152 |
119.5 |
-16.1 |
0.748 |
4 |
0 |
0 |
0.125 |
11 |
17 |
|
B |
21 |
7 |
11004 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
5 |
11152 |
115.1 |
-0.3 |
0.584 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
C |
16 |
6 |
11217 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
4 |
11004 |
107.9 |
-2.0 |
0.258 |
0 |
0 |
0 |
0.012 |
19 |
|
D |
11 |
4 |
10769 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
6 |
11152 |
99.1 |
-2.0 |
0.269 |
0 |
0 |
0 |
0.012 |
Average: |
103.5 |
-2.0 |
0.263 |
0 |
0 |
0 |
0.012 |
13 |
20 |
|
[SO4]A:1005 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
11152 |
106.8 |
-15.9 |
0.619 |
5 |
0 |
0 |
0.127 |
14 |
21 |
|
[SO4]C:1001 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
11217 |
103.7 |
-14.1 |
0.762 |
2 |
0 |
0 |
0.105 |
15 |
22 |
|
[SO4]C:1008 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
11217 |
103.5 |
-15.1 |
0.821 |
5 |
0 |
0 |
0.122 |
16 |
23 |
|
[SO4]D:1010 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
10769 |
83.1 |
-12.4 |
0.750 |
4 |
0 |
0 |
0.130 |
17 |
24 |
|
[SO4]A:1006 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
11152 |
82.9 |
-12.1 |
0.734 |
3 |
0 |
0 |
0.094 |
18 |
25 |
|
D |
9 |
2 |
10769 |
◊ |
A |
x,y-1,z |
1_545 |
10 |
3 |
11152 |
82.6 |
-0.8 |
0.438 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
[SO4]C:1004 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
11217 |
80.4 |
-12.1 |
0.634 |
3 |
0 |
0 |
0.094 |
20 |
27 |
|
D |
12 |
4 |
10769 |
f |
[SO4]B:1003 |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
186 |
80.0 |
-11.7 |
0.665 |
3 |
0 |
0 |
0.119 |
21 |
28 |
|
[SO4]B:1007 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11004 |
78.6 |
-11.4 |
0.753 |
4 |
0 |
0 |
0.121 |
22 |
29 |
|
[SO4]B:1003 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11004 |
69.0 |
-10.4 |
0.515 |
2 |
0 |
0 |
0.103 |
23 |
30 |
|
[ADP]C:1304 |
9 |
1 |
562 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
4 |
11152 |
58.8 |
0.9 |
0.637 |
0 |
0 |
0 |
0.000 |
31 |
|
C |
10 |
4 |
11217 |
◊ |
[ADP]A:1301 |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
1 |
562 |
56.2 |
1.1 |
0.641 |
0 |
0 |
0 |
0.000 |
Average: |
57.5 |
1.0 |
0.639 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
[SO4]A:1009 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
11152 |
58.0 |
-7.7 |
0.692 |
2 |
0 |
0 |
0.060 |
25 |
33 |
|
[ADP]C:1304 |
5 |
1 |
562 |
◊ |
[ADP]A:1301 |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
1 |
562 |
55.7 |
-3.0 |
0.424 |
0 |
0 |
0 |
0.009 |
26 |
34 |
|
[SO4]C:1011 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
11217 |
53.6 |
-7.3 |
0.600 |
1 |
0 |
0 |
0.054 |
27 |
35 |
|
[SO4]A:1012 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
11152 |
52.6 |
-7.0 |
0.590 |
2 |
0 |
0 |
0.055 |
28 |
36 |
|
C |
9 |
3 |
11217 |
◊ |
A |
x,y-1,z |
1_545 |
12 |
4 |
11152 |
48.6 |
-0.5 |
0.495 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
D |
3 |
2 |
10769 |
◊ |
[SO4]A:1009 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
186 |
45.3 |
-4.5 |
0.959 |
0 |
0 |
0 |
0.015 |
30 |
38 |
|
C |
7 |
3 |
11217 |
◊ |
[SO4]B:1007 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
186 |
36.3 |
-4.0 |
0.818 |
0 |
0 |
0 |
0.013 |
31 |
39 |
|
[SO4]D:1010 |
4 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
11152 |
36.0 |
-4.2 |
0.820 |
0 |
0 |
0 |
0.013 |
32 |
40 |
|
[SO4]C:1011 |
4 |
1 |
187 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
4 |
11004 |
31.9 |
-4.1 |
0.708 |
0 |
0 |
0 |
0.013 |
33 |
41 |
|
[ADP]D:1305 |
3 |
1 |
559 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
5 |
1 |
11004 |
30.8 |
0.9 |
0.733 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
5 |
1 |
10769 |
◊ |
[ADP]B:1302 |
x-1/2,-y-1/2,-z+1 |
4_446 |
4 |
1 |
558 |
30.3 |
0.9 |
0.739 |
0 |
0 |
0 |
0.000 |
Average: |
30.6 |
0.9 |
0.736 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
D |
2 |
1 |
10769 |
◊ |
A |
x-1,y-1,z |
1_445 |
3 |
1 |
11152 |
22.5 |
-0.7 |
0.229 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
D |
3 |
2 |
10769 |
◊ |
[SO4]A:1012 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
186 |
22.5 |
-2.8 |
0.589 |
0 |
0 |
0 |
0.009 |
36 |
45 |
|
B |
1 |
1 |
11004 |
x |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
11004 |
19.0 |
1.0 |
0.946 |
1 |
1 |
0 |
0.000 |
37 |
46 |
|
D |
2 |
1 |
10769 |
◊ |
[SO4]B:1007 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
186 |
13.4 |
-1.8 |
0.534 |
0 |
0 |
0 |
0.017 |
38 |
47 |
|
[SO4]A:1006 |
1 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
11004 |
13.2 |
-1.4 |
0.799 |
0 |
0 |
0 |
0.010 |
39 |
48 |
|
[SO4]C:1004 |
1 |
1 |
187 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
11152 |
12.9 |
-1.4 |
0.785 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[ADX]B:1303 |
1 |
1 |
549 |
f |
[ADP]B:1302 |
x,y,z |
1_555 |
1 |
1 |
558 |
12.9 |
-1.0 |
0.264 |
0 |
0 |
0 |
0.017 |
50 |
|
[ADX]D:1306 |
1 |
1 |
559 |
f |
[ADP]D:1305 |
x,y,z |
1_555 |
1 |
1 |
559 |
10.7 |
-0.8 |
0.316 |
0 |
0 |
0 |
0.017 |
Average: |
11.8 |
-0.9 |
0.290 |
0 |
0 |
0 |
0.017 |
41 |
51 |
|
[SO4]D:1010 |
1 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
3 |
11004 |
11.8 |
-1.5 |
0.673 |
0 |
0 |
0 |
0.014 |
42 |
52 |
|
B |
2 |
1 |
11004 |
◊ |
[SO4]A:1006 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
187 |
10.5 |
-1.3 |
0.725 |
0 |
0 |
0 |
0.000 |
43 |
53 |
|
[SO4]C:1004 |
1 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
10769 |
9.7 |
-0.9 |
0.810 |
0 |
0 |
0 |
0.007 |
44 |
54 |
|
[SO4]B:1007 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11152 |
9.2 |
-1.2 |
0.634 |
0 |
0 |
0 |
0.009 |
45 |
55 |
|
[SO4]D:1010 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11217 |
8.2 |
-0.8 |
0.821 |
0 |
0 |
0 |
0.005 |
46 |
56 |
|
[ADP]C:1304 |
1 |
1 |
562 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10769 |
5.5 |
-0.4 |
0.294 |
0 |
0 |
0 |
0.004 |
57 |
|
[ADP]A:1301 |
1 |
1 |
562 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11004 |
4.5 |
-0.3 |
0.325 |
0 |
0 |
0 |
0.004 |
58 |
|
[ADP]B:1302 |
2 |
1 |
558 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
11152 |
3.6 |
-0.2 |
0.443 |
0 |
0 |
0 |
0.004 |
Average: |
4.5 |
-0.3 |
0.354 |
0 |
0 |
0 |
0.004 |
47 |
59 |
|
C |
1 |
1 |
11217 |
◊ |
[ADX]B:1303 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
549 |
4.9 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
60 |
|
[ADX]D:1306 |
1 |
1 |
559 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
11152 |
1.7 |
0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
Average: |
3.3 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
D |
1 |
1 |
10769 |
◊ |
[ADP]A:1301 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
562 |
1.3 |
0.0 |
0.483 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
D |
1 |
1 |
10769 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
11004 |
1.2 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
[SO4]C:1008 |
1 |
1 |
186 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
11004 |
0.8 |
-0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
|