| ## |
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 |
247 |
43 |
5397 |
◊ |
B |
x,y,z |
1_555 |
359 |
89 |
11438 |
2993.8 |
-30.3 |
0.466 |
64 |
7 |
0 |
0.552 |
2 |
|
C |
247 |
43 |
5433 |
◊ |
A |
x,y,z |
1_555 |
351 |
87 |
11144 |
2962.7 |
-32.3 |
0.443 |
59 |
5 |
0 |
0.552 |
| Average: |
2978.2 |
-31.3 |
0.454 |
62 |
6 |
0 |
0.552 |
| 2 |
3 |
|
A |
86 |
22 |
11144 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
85 |
22 |
11144 |
738.4 |
3.5 |
0.932 |
10 |
0 |
0 |
0.000 |
4 |
|
B |
65 |
20 |
11438 |
◊ |
B |
x,-y,-z |
3_555 |
65 |
20 |
11438 |
590.0 |
0.1 |
0.747 |
6 |
0 |
0 |
0.000 |
| Average: |
664.2 |
1.8 |
0.839 |
8 |
0 |
0 |
0.000 |
| 3 |
5 |
|
A |
55 |
18 |
11144 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
59 |
18 |
11438 |
587.9 |
-6.3 |
0.286 |
3 |
0 |
0 |
0.000 |
6 |
|
B |
55 |
18 |
11438 |
◊ |
A |
x,y,z |
1_555 |
60 |
16 |
11144 |
536.6 |
-5.8 |
0.331 |
2 |
0 |
0 |
0.000 |
| Average: |
562.3 |
-6.0 |
0.308 |
3 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[1UR]A:1201 |
20 |
1 |
445 |
f |
A |
x,y,z |
1_555 |
54 |
17 |
11144 |
317.5 |
-5.2 |
0.446 |
2 |
0 |
0 |
0.057 |
8 |
|
[1UR]B:1201 |
20 |
1 |
442 |
f |
B |
x,y,z |
1_555 |
54 |
18 |
11438 |
317.2 |
-5.0 |
0.430 |
2 |
0 |
0 |
0.057 |
| Average: |
317.4 |
-5.1 |
0.438 |
2 |
0 |
0 |
0.057 |
| 5 |
9 |
|
D |
25 |
8 |
5397 |
◊ |
D |
x,-y,-z |
3_555 |
25 |
8 |
5397 |
304.4 |
-0.8 |
0.799 |
2 |
0 |
0 |
0.000 |
10 |
|
C |
20 |
8 |
5433 |
◊ |
C |
-x,y,-z+1/2 |
4_555 |
20 |
8 |
5433 |
148.2 |
1.5 |
0.907 |
4 |
0 |
0 |
0.000 |
| Average: |
226.3 |
0.3 |
0.853 |
3 |
0 |
0 |
0.000 |
| 6 |
11 |
|
D |
15 |
7 |
5397 |
◊ |
B |
x,-y,-z |
3_555 |
15 |
6 |
11438 |
147.2 |
-1.9 |
0.345 |
0 |
0 |
0 |
0.000 |
12 |
|
C |
12 |
6 |
5433 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
16 |
4 |
11144 |
134.2 |
-2.3 |
0.323 |
0 |
0 |
0 |
0.000 |
| Average: |
140.7 |
-2.1 |
0.334 |
0 |
0 |
0 |
0.000 |
| 7 |
13 |
|
B |
15 |
3 |
11438 |
◊ |
B |
-x,y,-z+1/2 |
4_555 |
15 |
3 |
11438 |
134.4 |
1.7 |
0.831 |
2 |
0 |
0 |
0.000 |
| 8 |
14 |
|
[SO4]B:1203 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11438 |
113.5 |
-17.4 |
0.702 |
7 |
0 |
0 |
0.190 |
| 9 |
15 |
|
[SO4]A:1203 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11144 |
99.6 |
-15.1 |
0.877 |
6 |
0 |
0 |
0.164 |
| 10 |
16 |
|
C |
5 |
3 |
5433 |
◊ |
B |
x-1/2,y-1/2,z |
5_445 |
10 |
5 |
11438 |
85.3 |
-1.2 |
0.370 |
0 |
0 |
0 |
0.000 |
17 |
|
D |
5 |
3 |
5397 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
11144 |
70.5 |
-1.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| Average: |
77.9 |
-1.1 |
0.399 |
0 |
0 |
0 |
0.000 |
| 11 |
18 |
|
[SO4]A:1204 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
11144 |
74.2 |
-8.8 |
0.930 |
3 |
0 |
0 |
0.094 |
| 12 |
19 |
|
[GOL]C:1201 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
5433 |
73.8 |
-0.0 |
0.678 |
3 |
0 |
0 |
0.100 |
| 13 |
20 |
|
A |
7 |
2 |
11144 |
◊ |
A |
x,-y-1,-z |
3_545 |
7 |
2 |
11144 |
73.5 |
0.6 |
0.772 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[SO4]D:1201 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
11438 |
72.7 |
-8.3 |
0.909 |
3 |
0 |
0 |
0.089 |
| 15 |
22 |
|
[SO4]D:1201 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
5397 |
70.6 |
-10.0 |
0.852 |
1 |
0 |
0 |
0.100 |
| 16 |
23 |
|
[GOL]C:1201 |
6 |
1 |
217 |
◊ |
[GOL]C:1201 |
-x,y,-z+1/2 |
4_555 |
6 |
1 |
217 |
68.4 |
-0.8 |
0.428 |
0 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[GOL]C:1201 |
5 |
1 |
217 |
◊ |
C |
-x,y,-z+1/2 |
4_555 |
14 |
6 |
5433 |
68.3 |
-0.3 |
0.596 |
1 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[SO4]A:1204 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
5433 |
65.6 |
-9.5 |
0.775 |
1 |
0 |
0 |
0.092 |
| 19 |
26 |
|
C |
3 |
1 |
5433 |
◊ |
B |
-x,y,-z+1/2 |
4_555 |
9 |
3 |
11438 |
61.7 |
-1.5 |
0.208 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
6 |
2 |
11144 |
◊ |
D |
x-1/2,-y-1/2,-z |
7_445 |
3 |
1 |
5397 |
54.8 |
-1.7 |
0.178 |
0 |
0 |
0 |
0.000 |
| Average: |
58.3 |
-1.6 |
0.193 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
C |
3 |
1 |
5433 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11438 |
51.2 |
-0.5 |
0.364 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
5 |
2 |
11144 |
◊ |
D |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
5397 |
40.8 |
-0.5 |
0.335 |
0 |
0 |
0 |
0.000 |
| Average: |
46.0 |
-0.5 |
0.349 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
A |
5 |
3 |
11144 |
◊ |
B |
x-1/2,-y-1/2,-z |
7_445 |
8 |
3 |
11438 |
45.9 |
0.1 |
0.679 |
1 |
1 |
0 |
0.000 |
| 22 |
31 |
|
[1UR]A:1201 |
2 |
1 |
445 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
5433 |
36.8 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
32 |
|
[1UR]B:1201 |
2 |
1 |
442 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
5397 |
36.1 |
0.2 |
0.771 |
0 |
0 |
0 |
0.000 |
| Average: |
36.4 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
B |
2 |
1 |
11438 |
◊ |
A |
-x,y,-z+1/2 |
4_555 |
3 |
1 |
11144 |
32.7 |
0.5 |
0.824 |
1 |
1 |
0 |
0.000 |
| 24 |
34 |
|
[SO4]A:1203 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
5433 |
29.4 |
-3.4 |
0.865 |
0 |
0 |
0 |
0.032 |
| 25 |
35 |
|
[SO4]B:1203 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
5397 |
20.1 |
-2.4 |
0.849 |
0 |
0 |
0 |
0.022 |
| 26 |
36 |
|
[SO4]A:1203 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11438 |
9.1 |
-1.0 |
0.793 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
A |
1 |
1 |
11144 |
◊ |
[SO4]B:1203 |
x-1/2,y-1/2,z |
5_445 |
1 |
1 |
185 |
7.5 |
-0.8 |
0.801 |
0 |
0 |
0 |
0.000 |
|