| ## |
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 |
111 |
33 |
8419 |
◊ |
B |
x,y,z |
1_555 |
113 |
32 |
8513 |
1203.8 |
2.3 |
0.842 |
14 |
4 |
0 |
0.000 |
| 2 |
2 |
|
D |
89 |
20 |
8419 |
◊ |
C |
x,y,z |
1_555 |
88 |
21 |
8545 |
837.4 |
-9.7 |
0.123 |
8 |
8 |
0 |
0.167 |
3 |
|
B |
85 |
20 |
8513 |
◊ |
A |
x,y,z |
1_555 |
90 |
20 |
8531 |
821.8 |
-9.1 |
0.166 |
4 |
5 |
0 |
0.167 |
| Average: |
829.6 |
-9.4 |
0.144 |
6 |
7 |
0 |
0.167 |
| 3 |
4 |
|
D |
76 |
20 |
8419 |
◊ |
B |
x,-y+1,-z |
4_565 |
83 |
24 |
8513 |
685.9 |
-5.2 |
0.390 |
1 |
1 |
0 |
0.000 |
| 4 |
5 |
|
C |
52 |
13 |
8545 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
48 |
13 |
8531 |
449.5 |
-2.0 |
0.473 |
7 |
0 |
0 |
0.000 |
| 5 |
6 |
|
C |
41 |
13 |
8545 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
45 |
14 |
8531 |
448.9 |
-2.8 |
0.383 |
10 |
4 |
0 |
0.000 |
| 6 |
7 |
|
D |
50 |
15 |
8419 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
39 |
12 |
8545 |
447.6 |
-0.3 |
0.606 |
2 |
0 |
0 |
0.000 |
8 |
|
B |
45 |
13 |
8513 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
37 |
12 |
8531 |
421.4 |
-0.6 |
0.607 |
2 |
1 |
0 |
0.000 |
| Average: |
434.5 |
-0.5 |
0.606 |
2 |
1 |
0 |
0.000 |
| 7 |
9 |
|
D |
29 |
9 |
8419 |
◊ |
A |
-x+1,-y+1,z-1/2 |
2_664 |
28 |
10 |
8531 |
281.7 |
0.9 |
0.726 |
6 |
0 |
0 |
0.000 |
10 |
|
B |
23 |
6 |
8513 |
◊ |
C |
-x,-y+1,z-1/2 |
2_564 |
31 |
13 |
8545 |
268.1 |
-1.0 |
0.474 |
1 |
0 |
0 |
0.000 |
| Average: |
274.9 |
-0.1 |
0.600 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
D |
26 |
7 |
8419 |
◊ |
D |
x,-y+1,-z |
4_565 |
26 |
7 |
8419 |
251.0 |
-0.6 |
0.580 |
4 |
2 |
0 |
0.000 |
12 |
|
B |
27 |
8 |
8513 |
◊ |
B |
x,-y+1,-z |
4_565 |
27 |
8 |
8513 |
232.3 |
-2.7 |
0.353 |
0 |
0 |
0 |
0.000 |
| Average: |
241.7 |
-1.6 |
0.467 |
2 |
1 |
0 |
0.000 |
| 9 |
13 |
|
C |
20 |
5 |
8545 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
20 |
5 |
8545 |
231.1 |
-1.9 |
0.342 |
0 |
0 |
0 |
0.000 |
14 |
|
A |
21 |
4 |
8531 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
21 |
4 |
8531 |
230.1 |
-1.7 |
0.388 |
0 |
0 |
0 |
0.000 |
| Average: |
230.6 |
-1.8 |
0.365 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
[CIT]C:193 |
12 |
1 |
316 |
f |
C |
x,y,z |
1_555 |
31 |
15 |
8545 |
218.0 |
0.8 |
0.480 |
6 |
0 |
0 |
0.040 |
16 |
|
[CIT]A:191 |
12 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
32 |
15 |
8531 |
216.5 |
0.9 |
0.497 |
7 |
0 |
0 |
0.040 |
17 |
|
[CIT]D:194 |
12 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
31 |
15 |
8419 |
208.9 |
1.0 |
0.491 |
6 |
0 |
0 |
0.040 |
18 |
|
[CIT]B:192 |
12 |
1 |
309 |
f |
B |
x,y,z |
1_555 |
29 |
15 |
8513 |
206.2 |
1.1 |
0.498 |
7 |
0 |
0 |
0.040 |
| Average: |
212.4 |
1.0 |
0.491 |
7 |
0 |
0 |
0.040 |
| 11 |
19 |
|
[SO4]A:202 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8531 |
79.4 |
-10.7 |
0.850 |
2 |
0 |
0 |
0.101 |
| 12 |
20 |
|
[SO4]D:207 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
8419 |
78.6 |
-11.8 |
0.640 |
3 |
0 |
0 |
0.152 |
| 13 |
21 |
|
[SO4]A:200 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
8531 |
78.1 |
-10.3 |
0.845 |
3 |
0 |
0 |
0.102 |
| 14 |
22 |
|
[SO4]C:206 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8545 |
77.5 |
-10.4 |
0.860 |
3 |
0 |
0 |
0.136 |
| 15 |
23 |
|
[SO4]B:203 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8513 |
76.9 |
-11.7 |
0.646 |
3 |
0 |
0 |
0.114 |
| 16 |
24 |
|
[SO4]C:208 |
5 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
8545 |
73.0 |
-10.3 |
0.643 |
3 |
0 |
0 |
0.134 |
| 17 |
25 |
|
[SO4]A:209 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8513 |
72.5 |
-11.0 |
0.670 |
3 |
0 |
0 |
0.107 |
| 18 |
26 |
|
[SO4]C:208 |
5 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
8419 |
71.3 |
-10.8 |
0.675 |
2 |
0 |
0 |
0.134 |
| 19 |
27 |
|
[SO4]C:205 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
8545 |
70.4 |
-10.6 |
0.697 |
1 |
0 |
0 |
0.127 |
| 20 |
28 |
|
[SO4]A:209 |
5 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
8531 |
69.4 |
-10.2 |
0.668 |
3 |
0 |
0 |
0.101 |
| 21 |
29 |
|
[SO4]A:201 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8531 |
68.1 |
-10.1 |
0.687 |
0 |
0 |
0 |
0.088 |
| 22 |
30 |
|
[SO4]B:197 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
8513 |
63.6 |
-8.8 |
0.724 |
2 |
0 |
0 |
0.085 |
| 23 |
31 |
|
[SO4]A:198 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8531 |
62.4 |
-8.4 |
0.686 |
2 |
0 |
0 |
0.081 |
| 24 |
32 |
|
[SO4]B:204 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
8513 |
62.3 |
-7.4 |
0.925 |
2 |
0 |
0 |
0.073 |
| 25 |
33 |
|
[SO4]C:199 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8545 |
62.1 |
-8.1 |
0.673 |
3 |
0 |
0 |
0.109 |
| 26 |
34 |
|
D |
6 |
2 |
8419 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
6 |
2 |
8419 |
57.8 |
-1.1 |
0.305 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
6 |
2 |
8513 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
6 |
2 |
8513 |
51.7 |
-1.2 |
0.282 |
0 |
0 |
0 |
0.000 |
| Average: |
54.7 |
-1.1 |
0.293 |
0 |
0 |
0 |
0.000 |
| 27 |
36 |
|
C |
5 |
2 |
8545 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
1 |
8513 |
45.9 |
0.5 |
0.731 |
0 |
5 |
0 |
0.000 |
37 |
|
D |
4 |
1 |
8419 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
5 |
3 |
8531 |
42.5 |
1.1 |
0.851 |
2 |
3 |
0 |
0.000 |
| Average: |
44.2 |
0.8 |
0.791 |
1 |
4 |
0 |
0.000 |
| 28 |
38 |
|
[SO4]B:204 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8419 |
32.5 |
-2.9 |
0.949 |
1 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[SO4]B:204 |
1 |
1 |
186 |
f |
[SO4]B:197 |
x,y,z |
1_555 |
1 |
1 |
186 |
4.5 |
-1.1 |
0.894 |
0 |
0 |
0 |
0.009 |
| 30 |
40 |
|
[SO4]D:207 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8513 |
2.4 |
-0.3 |
0.655 |
0 |
0 |
0 |
0.000 |
| 31 |
41 |
|
[SO4]B:203 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8419 |
1.1 |
-0.1 |
0.736 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[SO4]B:203 |
1 |
1 |
184 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
8513 |
0.4 |
-0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
|