| ## |
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 |
265 |
65 |
9146 |
◊ |
C |
x,y,z |
1_555 |
266 |
65 |
9200 |
2518.9 |
-28.0 |
0.243 |
45 |
7 |
0 |
0.433 |
2 |
|
F |
259 |
61 |
9263 |
◊ |
E |
x,y,z |
1_555 |
266 |
65 |
9198 |
2518.5 |
-28.4 |
0.223 |
42 |
7 |
0 |
0.433 |
3 |
|
B |
262 |
66 |
8959 |
◊ |
A |
x,y,z |
1_555 |
268 |
67 |
9366 |
2503.2 |
-30.6 |
0.280 |
44 |
7 |
0 |
0.433 |
| Average: |
2513.5 |
-29.0 |
0.248 |
44 |
7 |
0 |
0.433 |
| 2 |
4 |
|
B |
69 |
19 |
8959 |
◊ |
F |
-y+1/2,x+1/2,z-1/2 |
11_554 |
64 |
16 |
9263 |
604.4 |
-5.3 |
0.563 |
6 |
6 |
0 |
0.000 |
| 3 |
5 |
|
E |
59 |
18 |
9198 |
◊ |
A |
x,y,z |
1_555 |
43 |
12 |
9366 |
453.2 |
-1.8 |
0.677 |
2 |
0 |
0 |
0.000 |
6 |
|
E |
43 |
11 |
9198 |
◊ |
D |
x,y,z |
1_555 |
55 |
18 |
9146 |
440.2 |
-0.8 |
0.749 |
4 |
1 |
0 |
0.000 |
7 |
|
D |
45 |
10 |
9146 |
◊ |
A |
x,y,z |
1_555 |
57 |
19 |
9366 |
439.7 |
-1.1 |
0.750 |
3 |
1 |
0 |
0.000 |
| Average: |
444.4 |
-1.2 |
0.725 |
3 |
1 |
0 |
0.000 |
| 4 |
8 |
|
C |
51 |
16 |
9200 |
◊ |
A |
y,x,-z |
7_555 |
48 |
14 |
9366 |
418.0 |
0.9 |
0.862 |
4 |
2 |
0 |
0.000 |
| 5 |
9 |
|
F |
42 |
13 |
9263 |
◊ |
B |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
44 |
14 |
8959 |
389.0 |
-0.9 |
0.765 |
6 |
2 |
0 |
0.000 |
10 |
|
C |
42 |
12 |
9200 |
◊ |
C |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
41 |
12 |
9200 |
386.0 |
-2.6 |
0.545 |
4 |
0 |
0 |
0.000 |
| Average: |
387.5 |
-1.8 |
0.655 |
5 |
1 |
0 |
0.000 |
| 6 |
11 |
|
E |
27 |
7 |
9198 |
◊ |
C |
-y,x,z |
3_555 |
20 |
5 |
9200 |
201.3 |
-0.3 |
0.675 |
4 |
2 |
0 |
0.000 |
| 7 |
12 |
|
C |
31 |
7 |
9200 |
◊ |
B |
y,x,-z |
7_555 |
17 |
4 |
8959 |
194.6 |
-2.6 |
0.316 |
2 |
2 |
0 |
0.000 |
13 |
|
D |
14 |
3 |
9146 |
◊ |
A |
y,x,-z |
7_555 |
31 |
7 |
9366 |
168.6 |
-2.4 |
0.204 |
1 |
0 |
0 |
0.000 |
| Average: |
181.6 |
-2.5 |
0.260 |
2 |
1 |
0 |
0.000 |
| 8 |
14 |
|
F |
21 |
8 |
9263 |
◊ |
C |
-y,x,z |
3_555 |
23 |
8 |
9200 |
193.9 |
-2.8 |
0.324 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[SO4]D:407 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
9146 |
122.1 |
-17.4 |
0.678 |
2 |
0 |
0 |
0.137 |
| 10 |
16 |
|
[SO4]C:405 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
9200 |
120.6 |
-18.1 |
0.641 |
2 |
0 |
0 |
0.142 |
| 11 |
17 |
|
[SO4]A:402 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
9366 |
120.4 |
-18.1 |
0.682 |
2 |
0 |
0 |
0.160 |
| 12 |
18 |
|
[SO4]E:409 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
19 |
10 |
9198 |
118.4 |
-17.0 |
0.721 |
2 |
0 |
0 |
0.154 |
| 13 |
19 |
|
[GOL]F:507 |
5 |
1 |
224 |
f |
F |
x,y,z |
1_555 |
19 |
6 |
9263 |
105.2 |
-0.3 |
0.552 |
3 |
0 |
0 |
0.014 |
| 14 |
20 |
|
[SO4]F:408 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
17 |
9 |
9263 |
102.5 |
-13.3 |
0.938 |
5 |
0 |
0 |
0.133 |
21 |
|
[SO4]C:406 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
9200 |
98.0 |
-13.5 |
0.917 |
5 |
0 |
0 |
0.133 |
| Average: |
100.2 |
-13.4 |
0.928 |
5 |
0 |
0 |
0.133 |
| 15 |
22 |
|
[SO4]D:404 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
9146 |
100.3 |
-13.7 |
0.914 |
5 |
0 |
0 |
0.119 |
| 16 |
23 |
|
[SO4]B:401 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
8959 |
100.2 |
-14.3 |
0.828 |
6 |
0 |
0 |
0.275 |
24 |
|
[SO4]A:403 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
9366 |
99.8 |
-13.4 |
0.921 |
5 |
0 |
0 |
0.275 |
25 |
|
[SO4]E:410 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
9198 |
99.0 |
-13.5 |
0.908 |
5 |
0 |
0 |
0.275 |
| Average: |
99.6 |
-13.7 |
0.886 |
5 |
0 |
0 |
0.275 |
| 17 |
26 |
|
[GOL]F:506 |
6 |
1 |
223 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
9263 |
88.1 |
0.1 |
0.630 |
1 |
0 |
0 |
0.013 |
27 |
|
[GOL]E:505 |
6 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
9198 |
85.1 |
0.6 |
0.703 |
4 |
0 |
0 |
0.013 |
28 |
|
[GOL]A:501 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
9366 |
84.0 |
0.8 |
0.728 |
3 |
0 |
0 |
0.013 |
29 |
|
[GOL]B:502 |
6 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
8959 |
83.5 |
0.5 |
0.687 |
2 |
0 |
0 |
0.013 |
| Average: |
85.2 |
0.5 |
0.687 |
3 |
0 |
0 |
0.013 |
| 18 |
30 |
|
[GOL]D:504 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
9146 |
84.0 |
0.4 |
0.681 |
2 |
0 |
0 |
0.004 |
| 19 |
31 |
|
[GOL]C:503 |
6 |
1 |
224 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
9200 |
83.5 |
0.6 |
0.685 |
2 |
0 |
0 |
0.002 |
| 20 |
32 |
|
[GOL]C:503 |
3 |
1 |
224 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
9146 |
55.6 |
0.3 |
0.629 |
0 |
0 |
0 |
0.003 |
33 |
|
[GOL]E:505 |
3 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
9263 |
51.3 |
0.1 |
0.591 |
1 |
0 |
0 |
0.003 |
| Average: |
53.5 |
0.2 |
0.610 |
1 |
0 |
0 |
0.003 |
| 21 |
34 |
|
[GOL]D:504 |
3 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
9200 |
55.5 |
0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[GOL]B:502 |
4 |
1 |
224 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
9366 |
54.6 |
0.2 |
0.646 |
0 |
0 |
0 |
0.000 |
36 |
|
[GOL]A:501 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8959 |
54.5 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
37 |
|
[GOL]F:506 |
3 |
1 |
223 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
9198 |
52.9 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
| Average: |
54.0 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[SO4]A:403 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
8959 |
52.6 |
-6.5 |
0.894 |
2 |
0 |
0 |
0.111 |
39 |
|
[SO4]E:410 |
4 |
1 |
187 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
9263 |
51.1 |
-6.1 |
0.875 |
2 |
0 |
0 |
0.111 |
40 |
|
[SO4]D:404 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
9200 |
50.7 |
-6.2 |
0.876 |
2 |
0 |
0 |
0.111 |
41 |
|
[SO4]B:401 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9366 |
44.7 |
-5.3 |
0.895 |
1 |
0 |
0 |
0.111 |
| Average: |
49.8 |
-6.0 |
0.885 |
2 |
0 |
0 |
0.111 |
| 24 |
42 |
|
[SO4]F:408 |
4 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
9198 |
49.2 |
-6.3 |
0.863 |
2 |
0 |
0 |
0.062 |
43 |
|
[SO4]C:406 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
9146 |
47.7 |
-5.6 |
0.901 |
1 |
0 |
0 |
0.062 |
| Average: |
48.4 |
-6.0 |
0.882 |
2 |
0 |
0 |
0.062 |
| 25 |
44 |
|
[GOL]F:506 |
4 |
1 |
223 |
◊ |
[GOL]E:505 |
x,y,z |
1_555 |
3 |
1 |
222 |
39.2 |
-0.5 |
0.439 |
0 |
0 |
0 |
0.005 |
45 |
|
[GOL]D:504 |
4 |
1 |
221 |
◊ |
[GOL]C:503 |
x,y,z |
1_555 |
3 |
1 |
224 |
38.6 |
-0.4 |
0.469 |
0 |
0 |
0 |
0.005 |
| Average: |
38.9 |
-0.5 |
0.454 |
0 |
0 |
0 |
0.005 |
| 26 |
46 |
|
[GOL]B:502 |
3 |
1 |
224 |
◊ |
[GOL]A:501 |
x,y,z |
1_555 |
3 |
1 |
220 |
39.2 |
-0.8 |
0.430 |
0 |
0 |
0 |
0.007 |
| 27 |
47 |
|
F |
3 |
1 |
9263 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
9146 |
35.8 |
0.6 |
0.810 |
0 |
0 |
0 |
0.000 |
48 |
|
E |
7 |
5 |
9198 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
8959 |
33.5 |
0.6 |
0.802 |
0 |
0 |
0 |
0.000 |
49 |
|
C |
3 |
1 |
9200 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
9366 |
8.3 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
| Average: |
25.9 |
0.4 |
0.768 |
0 |
0 |
0 |
0.000 |
| 28 |
50 |
|
D |
2 |
1 |
9146 |
◊ |
B |
y,x,-z |
7_555 |
3 |
1 |
8959 |
34.2 |
0.1 |
0.655 |
0 |
0 |
0 |
0.000 |
| 29 |
51 |
|
B |
3 |
2 |
8959 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
10_554 |
1 |
1 |
9200 |
18.4 |
0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
[SO4]E:409 |
1 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
9263 |
8.0 |
-1.1 |
0.490 |
0 |
0 |
0 |
0.009 |
| 31 |
53 |
|
B |
1 |
1 |
8959 |
◊ |
E |
-y+1/2,x+1/2,z-1/2 |
11_554 |
1 |
1 |
9198 |
7.8 |
0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
D |
2 |
2 |
9146 |
◊ |
D |
y,x,-z |
7_555 |
2 |
2 |
9146 |
7.0 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 33 |
55 |
|
[SO4]A:402 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8959 |
6.8 |
-0.9 |
0.511 |
0 |
0 |
0 |
0.008 |
| 34 |
56 |
|
[SO4]D:407 |
1 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9200 |
5.3 |
-0.7 |
0.533 |
0 |
0 |
0 |
0.005 |
| 35 |
57 |
|
[SO4]C:406 |
1 |
1 |
186 |
f |
[SO4]C:405 |
x,y,z |
1_555 |
1 |
1 |
186 |
3.2 |
-0.8 |
1.000 |
0 |
0 |
0 |
0.006 |
| 36 |
58 |
|
[GOL]F:507 |
1 |
1 |
224 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
9146 |
2.9 |
0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
|