## |
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 |
150 |
34 |
10262 |
◊ |
C |
x,y,z |
1_555 |
150 |
34 |
10436 |
1408.1 |
-24.1 |
0.009 |
10 |
2 |
0 |
0.401 |
2 |
|
F |
146 |
35 |
10380 |
◊ |
E |
x,y,z |
1_555 |
151 |
35 |
10310 |
1385.9 |
-24.3 |
0.010 |
9 |
4 |
0 |
0.401 |
3 |
|
B |
146 |
35 |
10267 |
◊ |
A |
x,y,z |
1_555 |
148 |
34 |
10300 |
1382.8 |
-23.8 |
0.010 |
14 |
4 |
0 |
0.401 |
4 |
|
H |
146 |
35 |
10301 |
◊ |
G |
x,y,z |
1_555 |
144 |
34 |
10370 |
1375.5 |
-24.2 |
0.013 |
12 |
4 |
0 |
0.401 |
Average: |
1388.1 |
-24.1 |
0.010 |
11 |
4 |
0 |
0.401 |
2 |
5 |
|
A |
47 |
16 |
10300 |
◊ |
C |
x,y-1,z |
1_545 |
57 |
14 |
10436 |
471.8 |
4.1 |
0.881 |
6 |
2 |
0 |
0.000 |
6 |
|
H |
34 |
11 |
10301 |
◊ |
F |
x,y,z |
1_555 |
40 |
12 |
10380 |
307.2 |
2.4 |
0.868 |
2 |
2 |
0 |
0.000 |
Average: |
389.5 |
3.2 |
0.875 |
4 |
2 |
0 |
0.000 |
3 |
7 |
|
A |
35 |
12 |
10300 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
40 |
13 |
10436 |
405.2 |
-5.5 |
0.159 |
1 |
2 |
0 |
0.000 |
8 |
|
F |
40 |
13 |
10380 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
12 |
10301 |
390.8 |
-5.1 |
0.231 |
1 |
2 |
0 |
0.000 |
Average: |
398.0 |
-5.3 |
0.195 |
1 |
2 |
0 |
0.000 |
4 |
9 |
|
A |
50 |
11 |
10300 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
38 |
12 |
10436 |
380.8 |
-3.5 |
0.346 |
0 |
1 |
0 |
0.000 |
5 |
10 |
|
B |
38 |
9 |
10267 |
◊ |
E |
x-1,y,z |
1_455 |
40 |
9 |
10310 |
345.2 |
-3.4 |
0.346 |
3 |
4 |
0 |
0.000 |
6 |
11 |
|
D |
39 |
9 |
10262 |
◊ |
G |
x-1,y,z |
1_455 |
38 |
9 |
10370 |
342.1 |
-3.5 |
0.321 |
2 |
4 |
0 |
0.000 |
7 |
12 |
|
[THM]G:1402 |
17 |
1 |
400 |
f |
G |
x,y,z |
1_555 |
40 |
18 |
10370 |
266.6 |
2.6 |
0.623 |
5 |
0 |
0 |
0.038 |
13 |
|
[THM]E:1404 |
17 |
1 |
396 |
f |
E |
x,y,z |
1_555 |
40 |
18 |
10310 |
264.4 |
2.6 |
0.595 |
5 |
0 |
0 |
0.038 |
14 |
|
[THM]H:1403 |
17 |
1 |
395 |
f |
H |
x,y,z |
1_555 |
39 |
19 |
10301 |
263.1 |
1.0 |
0.509 |
5 |
0 |
0 |
0.038 |
15 |
|
[THM]B:1401 |
17 |
1 |
396 |
f |
B |
x,y,z |
1_555 |
38 |
17 |
10267 |
261.2 |
0.9 |
0.449 |
5 |
0 |
0 |
0.038 |
16 |
|
[THM]A:1400 |
17 |
1 |
397 |
f |
A |
x,y,z |
1_555 |
38 |
18 |
10300 |
261.0 |
1.0 |
0.466 |
5 |
0 |
0 |
0.038 |
17 |
|
[THM]F:1405 |
17 |
1 |
392 |
f |
F |
x,y,z |
1_555 |
39 |
18 |
10380 |
260.6 |
1.2 |
0.532 |
4 |
0 |
0 |
0.038 |
18 |
|
[THM]D:1407 |
17 |
1 |
390 |
f |
D |
x,y,z |
1_555 |
38 |
17 |
10262 |
258.9 |
0.8 |
0.460 |
6 |
0 |
0 |
0.038 |
19 |
|
[THM]C:1406 |
17 |
1 |
388 |
f |
C |
x,y,z |
1_555 |
38 |
17 |
10436 |
257.8 |
1.0 |
0.475 |
5 |
0 |
0 |
0.038 |
Average: |
261.7 |
1.4 |
0.514 |
5 |
0 |
0 |
0.038 |
8 |
20 |
|
G |
32 |
9 |
10370 |
◊ |
E |
x,y,z |
1_555 |
31 |
9 |
10310 |
253.8 |
3.3 |
0.881 |
3 |
2 |
0 |
0.000 |
21 |
|
B |
32 |
9 |
10267 |
◊ |
D |
x,y-1,z |
1_545 |
24 |
6 |
10262 |
196.0 |
2.4 |
0.862 |
1 |
0 |
0 |
0.000 |
Average: |
224.9 |
2.9 |
0.872 |
2 |
1 |
0 |
0.000 |
9 |
22 |
|
C |
25 |
6 |
10436 |
◊ |
A |
x,y,z |
1_555 |
31 |
7 |
10300 |
235.2 |
-0.1 |
0.649 |
1 |
0 |
0 |
0.000 |
23 |
|
F |
8 |
4 |
10380 |
◊ |
H |
x,y-1,z |
1_545 |
10 |
3 |
10301 |
72.9 |
0.7 |
0.754 |
0 |
0 |
0 |
0.000 |
Average: |
154.1 |
0.3 |
0.701 |
1 |
0 |
0 |
0.000 |
10 |
24 |
|
E |
16 |
5 |
10310 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
10267 |
123.2 |
0.4 |
0.700 |
1 |
1 |
0 |
0.000 |
11 |
25 |
|
[SO4]F:1305 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
19 |
10 |
10380 |
115.6 |
-18.4 |
0.755 |
10 |
0 |
0 |
0.306 |
12 |
26 |
|
[SO4]G:1302 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
19 |
9 |
10370 |
114.0 |
-18.3 |
0.756 |
8 |
0 |
0 |
0.291 |
13 |
27 |
|
[SO4]H:1303 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
20 |
9 |
10301 |
113.9 |
-18.5 |
0.760 |
8 |
0 |
0 |
0.294 |
14 |
28 |
|
[SO4]A:1300 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
10300 |
111.7 |
-18.9 |
0.750 |
7 |
0 |
0 |
0.283 |
15 |
29 |
|
[SO4]C:1306 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
10436 |
111.5 |
-18.6 |
0.759 |
10 |
0 |
0 |
0.294 |
16 |
30 |
|
G |
14 |
5 |
10370 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
10262 |
111.2 |
0.5 |
0.705 |
1 |
0 |
0 |
0.000 |
17 |
31 |
|
[SO4]B:1301 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
10267 |
111.0 |
-18.6 |
0.767 |
9 |
0 |
0 |
0.291 |
18 |
32 |
|
[SO4]D:1307 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
10262 |
109.4 |
-18.6 |
0.759 |
11 |
0 |
0 |
0.300 |
19 |
33 |
|
[SO4]E:1304 |
5 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
18 |
9 |
10310 |
109.1 |
-18.6 |
0.744 |
9 |
0 |
0 |
0.303 |
20 |
34 |
|
F |
9 |
3 |
10380 |
◊ |
H |
-x+2,y-1/2,-z+1 |
2_746 |
13 |
4 |
10301 |
105.8 |
1.1 |
0.806 |
1 |
0 |
0 |
0.000 |
21 |
35 |
|
F |
11 |
4 |
10380 |
◊ |
G |
x,y-1,z |
1_545 |
14 |
6 |
10370 |
76.3 |
0.1 |
0.643 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
10 |
4 |
10436 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
10267 |
60.4 |
0.3 |
0.670 |
1 |
0 |
0 |
0.000 |
Average: |
68.3 |
0.2 |
0.657 |
1 |
0 |
0 |
0.000 |
22 |
37 |
|
E |
9 |
2 |
10310 |
◊ |
G |
x,y-1,z |
1_545 |
10 |
3 |
10370 |
65.0 |
-0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
3 |
1 |
10262 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10267 |
19.5 |
0.5 |
0.843 |
0 |
0 |
0 |
0.000 |
Average: |
42.3 |
0.2 |
0.731 |
0 |
0 |
0 |
0.000 |
23 |
39 |
|
H |
6 |
2 |
10301 |
x |
H |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
2 |
10301 |
49.1 |
0.5 |
0.768 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
5 |
2 |
10300 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
10300 |
43.7 |
0.6 |
0.770 |
0 |
0 |
0 |
0.000 |
Average: |
46.4 |
0.6 |
0.769 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
H |
6 |
1 |
10301 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
10310 |
48.7 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
7 |
1 |
10300 |
◊ |
D |
x,y-1,z |
1_545 |
5 |
1 |
10262 |
48.4 |
0.2 |
0.681 |
1 |
0 |
0 |
0.000 |
Average: |
48.5 |
0.2 |
0.688 |
1 |
0 |
0 |
0.000 |
25 |
43 |
|
B |
3 |
2 |
10267 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
10436 |
21.7 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
26 |
44 |
|
[THM]G:1402 |
1 |
1 |
400 |
f |
[SO4]G:1302 |
x,y,z |
1_555 |
1 |
1 |
185 |
1.3 |
-0.2 |
0.594 |
0 |
0 |
0 |
0.003 |
|