| ## |
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 |
181 |
45 |
12661 |
◊ |
C |
x,y,z |
1_555 |
184 |
44 |
12615 |
1719.4 |
-8.8 |
0.231 |
32 |
15 |
0 |
0.261 |
2 |
|
B |
183 |
45 |
12699 |
◊ |
A |
x,y,z |
1_555 |
182 |
46 |
12456 |
1704.8 |
-15.7 |
0.071 |
27 |
12 |
0 |
0.261 |
| Average: |
1712.1 |
-12.3 |
0.151 |
30 |
14 |
0 |
0.261 |
| 2 |
3 |
|
C |
158 |
40 |
12615 |
◊ |
B |
x,y,z |
1_555 |
158 |
40 |
12699 |
1450.2 |
-10.6 |
0.152 |
19 |
6 |
0 |
0.190 |
4 |
|
D |
152 |
40 |
12661 |
◊ |
A |
x,y,z |
1_555 |
158 |
41 |
12456 |
1431.5 |
-9.4 |
0.198 |
21 |
6 |
0 |
0.190 |
| Average: |
1440.8 |
-10.0 |
0.175 |
20 |
6 |
0 |
0.190 |
| 3 |
5 |
|
A |
104 |
26 |
12456 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
101 |
26 |
12661 |
974.3 |
-1.3 |
0.542 |
9 |
7 |
0 |
0.000 |
| 4 |
6 |
|
[NAD]B:301 |
44 |
1 |
810 |
f |
B |
x,y,z |
1_555 |
86 |
34 |
12699 |
557.3 |
-8.1 |
0.341 |
13 |
0 |
0 |
0.273 |
7 |
|
[NAD]C:301 |
44 |
1 |
818 |
f |
C |
x,y,z |
1_555 |
83 |
32 |
12615 |
557.2 |
-8.2 |
0.337 |
13 |
0 |
0 |
0.273 |
8 |
|
[NAD]D:301 |
44 |
1 |
815 |
f |
D |
x,y,z |
1_555 |
85 |
34 |
12661 |
557.1 |
-8.2 |
0.340 |
14 |
0 |
0 |
0.273 |
9 |
|
[NAD]A:501 |
44 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
87 |
33 |
12456 |
557.0 |
-8.0 |
0.365 |
13 |
0 |
0 |
0.273 |
| Average: |
557.2 |
-8.1 |
0.345 |
13 |
0 |
0 |
0.273 |
| 5 |
10 |
|
A |
45 |
11 |
12456 |
◊ |
C |
y-1,x,-z |
4_455 |
47 |
12 |
12615 |
454.3 |
0.6 |
0.620 |
4 |
5 |
0 |
0.008 |
| 6 |
11 |
|
C |
39 |
11 |
12615 |
◊ |
A |
x,y,z |
1_555 |
36 |
11 |
12456 |
354.4 |
-3.0 |
0.277 |
4 |
0 |
0 |
0.040 |
12 |
|
D |
38 |
11 |
12661 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
12699 |
341.8 |
-4.7 |
0.140 |
4 |
0 |
0 |
0.040 |
| Average: |
348.1 |
-3.8 |
0.208 |
4 |
0 |
0 |
0.040 |
| 7 |
13 |
|
D |
32 |
10 |
12661 |
◊ |
B |
y-1,x,-z |
4_455 |
37 |
11 |
12699 |
298.2 |
1.5 |
0.706 |
5 |
2 |
0 |
0.000 |
| 8 |
14 |
|
[TCL]C:302 |
16 |
1 |
440 |
f |
C |
x,y,z |
1_555 |
46 |
17 |
12615 |
271.0 |
-15.3 |
0.327 |
1 |
0 |
0 |
0.308 |
15 |
|
[TCL]B:302 |
16 |
1 |
441 |
f |
B |
x,y,z |
1_555 |
47 |
17 |
12699 |
269.8 |
-15.4 |
0.340 |
1 |
0 |
0 |
0.308 |
16 |
|
[TCL]D:302 |
16 |
1 |
439 |
f |
D |
x,y,z |
1_555 |
48 |
18 |
12661 |
269.2 |
-15.6 |
0.326 |
1 |
0 |
0 |
0.308 |
17 |
|
[TCL]A:502 |
16 |
1 |
440 |
f |
A |
x,y,z |
1_555 |
47 |
18 |
12456 |
269.0 |
-15.4 |
0.353 |
1 |
0 |
0 |
0.308 |
| Average: |
269.8 |
-15.4 |
0.336 |
1 |
0 |
0 |
0.308 |
| 9 |
18 |
|
B |
36 |
12 |
12699 |
◊ |
B |
-x,-x+y,-z-1/3 |
6_554 |
35 |
12 |
12699 |
267.5 |
0.7 |
0.650 |
2 |
0 |
0 |
0.000 |
| 10 |
19 |
|
B |
27 |
7 |
12699 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
27 |
8 |
12456 |
212.3 |
-0.1 |
0.560 |
3 |
0 |
0 |
0.000 |
| 11 |
20 |
|
[TCL]A:502 |
12 |
1 |
440 |
f |
[NAD]A:501 |
x,y,z |
1_555 |
17 |
1 |
814 |
113.2 |
-6.2 |
0.689 |
1 |
0 |
0 |
0.128 |
21 |
|
[TCL]C:302 |
12 |
1 |
440 |
f |
[NAD]C:301 |
x,y,z |
1_555 |
19 |
1 |
818 |
112.8 |
-6.2 |
0.701 |
1 |
0 |
0 |
0.128 |
22 |
|
[TCL]D:302 |
12 |
1 |
439 |
f |
[NAD]D:301 |
x,y,z |
1_555 |
19 |
1 |
815 |
112.7 |
-6.1 |
0.705 |
1 |
0 |
0 |
0.128 |
23 |
|
[TCL]B:302 |
12 |
1 |
441 |
f |
[NAD]B:301 |
x,y,z |
1_555 |
18 |
1 |
810 |
111.9 |
-6.4 |
0.696 |
1 |
0 |
0 |
0.128 |
| Average: |
112.6 |
-6.2 |
0.698 |
1 |
0 |
0 |
0.128 |
| 12 |
24 |
|
D |
14 |
5 |
12661 |
◊ |
C |
x-y,-y+1,-z+1/3 |
5_565 |
8 |
3 |
12615 |
93.8 |
1.1 |
0.718 |
1 |
3 |
0 |
0.000 |
| 13 |
25 |
|
[SO4]A:503 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
12456 |
75.4 |
-9.2 |
0.890 |
3 |
0 |
0 |
0.102 |
| 14 |
26 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
12615 |
74.5 |
-11.7 |
0.633 |
2 |
0 |
0 |
0.113 |
| 15 |
27 |
|
[SO4]C:303 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12699 |
48.5 |
-4.7 |
0.967 |
2 |
0 |
0 |
0.051 |
| 16 |
28 |
|
[SO4]A:503 |
1 |
1 |
185 |
◊ |
C |
y-1,x,-z |
4_455 |
3 |
1 |
12615 |
10.1 |
-1.1 |
0.765 |
0 |
0 |
0 |
0.005 |
| 17 |
29 |
|
A |
1 |
1 |
12456 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
1 |
1 |
12456 |
0.6 |
0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
|