## |
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 |
|
C |
108 |
33 |
18357 |
◊ |
B |
x,y,z |
1_555 |
101 |
28 |
18516 |
935.1 |
-10.0 |
0.166 |
3 |
3 |
0 |
0.000 |
2 |
|
D |
95 |
30 |
18645 |
◊ |
A |
x,y,z |
1_555 |
106 |
33 |
18328 |
923.2 |
-9.8 |
0.147 |
3 |
3 |
0 |
0.000 |
Average: |
929.2 |
-9.9 |
0.157 |
3 |
3 |
0 |
0.000 |
2 |
3 |
|
D |
84 |
28 |
18645 |
◊ |
C |
x,y,z |
1_555 |
91 |
27 |
18357 |
853.5 |
-13.8 |
0.030 |
3 |
0 |
0 |
0.000 |
4 |
|
B |
83 |
26 |
18516 |
◊ |
A |
x,y,z |
1_555 |
83 |
25 |
18328 |
845.3 |
-14.0 |
0.020 |
3 |
0 |
0 |
0.000 |
Average: |
849.4 |
-13.9 |
0.025 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
C |
54 |
18 |
18357 |
◊ |
A |
x,y-1,z |
1_545 |
54 |
17 |
18328 |
544.5 |
-0.2 |
0.685 |
6 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
50 |
19 |
18645 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
49 |
19 |
18516 |
472.6 |
-4.7 |
0.269 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
D |
37 |
12 |
18645 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
39 |
14 |
18328 |
352.1 |
-4.9 |
0.173 |
1 |
0 |
0 |
0.000 |
8 |
|
C |
39 |
14 |
18357 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
12 |
18516 |
344.6 |
-5.6 |
0.127 |
2 |
0 |
0 |
0.000 |
Average: |
348.3 |
-5.2 |
0.150 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
17 |
6 |
18645 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
18516 |
179.6 |
0.4 |
0.704 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
14 |
5 |
18357 |
◊ |
B |
x,y-1,z |
1_545 |
16 |
5 |
18516 |
165.3 |
0.6 |
0.733 |
2 |
0 |
0 |
0.000 |
11 |
|
D |
16 |
5 |
18645 |
◊ |
A |
x,y-1,z |
1_545 |
16 |
6 |
18328 |
161.3 |
0.9 |
0.757 |
3 |
0 |
0 |
0.000 |
Average: |
163.3 |
0.7 |
0.745 |
3 |
0 |
0 |
0.000 |
8 |
12 |
|
[GOL]B:508 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
28 |
13 |
18516 |
146.3 |
-0.8 |
0.569 |
5 |
0 |
0 |
0.004 |
9 |
13 |
|
[GOL]C:1593 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
18357 |
144.1 |
-0.6 |
0.581 |
4 |
0 |
0 |
0.004 |
10 |
14 |
|
[NAG]D:498 |
10 |
1 |
351 |
cf |
D |
x,y,z |
1_555 |
19 |
6 |
18645 |
142.9 |
3.9 |
0.519 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[GOL]D:506 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
21 |
12 |
18645 |
141.0 |
-0.2 |
0.592 |
9 |
0 |
0 |
0.006 |
16 |
|
[GOL]A:503 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
18328 |
140.4 |
-0.2 |
0.576 |
8 |
0 |
0 |
0.006 |
Average: |
140.7 |
-0.2 |
0.584 |
9 |
0 |
0 |
0.006 |
12 |
17 |
|
[GOL]A:504 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
18328 |
140.6 |
-0.6 |
0.512 |
4 |
0 |
0 |
0.004 |
13 |
18 |
|
[GOL]B:506 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
18516 |
139.8 |
-0.1 |
0.577 |
8 |
0 |
0 |
0.005 |
14 |
19 |
|
[GOL]C:1592 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
18357 |
137.8 |
-0.2 |
0.605 |
8 |
0 |
0 |
0.007 |
15 |
20 |
|
[NAG]C:498 |
10 |
1 |
363 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
18357 |
137.4 |
3.6 |
0.457 |
1 |
0 |
0 |
0.000 |
16 |
21 |
|
[NAG]B:498 |
11 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
13 |
6 |
18516 |
130.7 |
3.7 |
0.453 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[GOL]D:507 |
6 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
27 |
13 |
18645 |
121.7 |
-0.6 |
0.565 |
3 |
0 |
0 |
0.002 |
18 |
23 |
|
[GOL]D:508 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
24 |
13 |
18645 |
121.6 |
-1.1 |
0.468 |
1 |
0 |
0 |
0.002 |
19 |
24 |
|
[NAG]A:498 |
11 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
12 |
6 |
18328 |
113.4 |
2.9 |
0.348 |
0 |
0 |
0 |
0.000 |
20 |
25 |
|
[SO4]D:501 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
18645 |
113.3 |
-17.8 |
0.589 |
1 |
0 |
0 |
0.018 |
21 |
26 |
|
[GOL]B:507 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
18516 |
109.5 |
-0.4 |
0.528 |
2 |
0 |
0 |
0.002 |
22 |
27 |
|
[SO4]A:499 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
18328 |
106.7 |
-16.7 |
0.665 |
5 |
0 |
0 |
0.030 |
23 |
28 |
|
[SO4]B:500 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
18516 |
105.2 |
-16.8 |
0.657 |
6 |
0 |
0 |
0.024 |
24 |
29 |
|
[SO4]D:499 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
18645 |
104.6 |
-16.9 |
0.645 |
5 |
0 |
0 |
0.019 |
25 |
30 |
|
[SO4]C:499 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
18357 |
102.3 |
-16.5 |
0.730 |
5 |
0 |
0 |
0.036 |
26 |
31 |
|
[GOL]C:1591 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
18357 |
99.4 |
-0.6 |
0.405 |
0 |
0 |
0 |
0.001 |
27 |
32 |
|
[NAG]B:499 |
8 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
12 |
4 |
18516 |
98.0 |
2.3 |
0.431 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[SO4]A:500 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
18328 |
91.4 |
-12.7 |
0.869 |
5 |
0 |
0 |
0.024 |
29 |
34 |
|
[SO4]D:500 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
18645 |
90.9 |
-12.7 |
0.868 |
5 |
0 |
0 |
0.015 |
30 |
35 |
|
[SO4]C:500 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
18357 |
90.7 |
-13.1 |
0.785 |
5 |
0 |
0 |
0.029 |
31 |
36 |
|
[GOL]C:1594 |
6 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
14 |
7 |
18357 |
89.8 |
1.0 |
0.729 |
2 |
0 |
0 |
0.000 |
32 |
37 |
|
[SO4]B:501 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18516 |
88.8 |
-12.5 |
0.859 |
5 |
0 |
0 |
0.018 |
33 |
38 |
|
[SO4]C:501 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
18357 |
86.9 |
-12.1 |
0.754 |
1 |
0 |
0 |
0.024 |
34 |
39 |
|
[SO4]A:501 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
18328 |
85.3 |
-11.7 |
0.729 |
2 |
0 |
0 |
0.020 |
35 |
40 |
|
[SO4]B:505 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
18516 |
84.3 |
-11.3 |
0.768 |
1 |
0 |
0 |
0.014 |
36 |
41 |
|
[SO4]D:503 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
18645 |
83.9 |
-11.1 |
0.792 |
1 |
0 |
0 |
0.011 |
37 |
42 |
|
[GOL]C:1595 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
11 |
3 |
18357 |
83.4 |
1.9 |
0.841 |
3 |
0 |
0 |
0.000 |
38 |
43 |
|
[SO4]B:504 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
18516 |
80.2 |
-12.0 |
0.643 |
2 |
0 |
0 |
0.016 |
39 |
44 |
|
[SO4]D:502 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
18645 |
79.5 |
-11.9 |
0.643 |
2 |
0 |
0 |
0.013 |
40 |
45 |
|
C |
8 |
2 |
18357 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
18357 |
72.1 |
-1.1 |
0.229 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
7 |
4 |
18328 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
18328 |
69.2 |
-1.1 |
0.225 |
0 |
0 |
0 |
0.000 |
Average: |
70.7 |
-1.1 |
0.227 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[SO4]B:502 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
18516 |
71.3 |
-7.3 |
0.975 |
3 |
0 |
0 |
0.011 |
42 |
48 |
|
[NAG]B:499 |
5 |
1 |
361 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
18357 |
70.2 |
1.0 |
0.350 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
[SO4]A:502 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
18328 |
68.5 |
-8.8 |
0.907 |
3 |
0 |
0 |
0.016 |
44 |
50 |
|
[SO4]B:503 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
18516 |
68.2 |
-8.8 |
0.925 |
3 |
0 |
0 |
0.012 |
45 |
51 |
|
[SO4]D:505 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
18645 |
66.2 |
-8.4 |
0.932 |
3 |
0 |
0 |
0.010 |
46 |
52 |
|
[SO4]D:504 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
18645 |
63.9 |
-6.5 |
0.958 |
2 |
0 |
0 |
0.007 |
47 |
53 |
|
[GOL]B:507 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
18357 |
63.8 |
0.2 |
0.625 |
2 |
0 |
0 |
0.000 |
48 |
54 |
|
[SO4]D:504 |
4 |
1 |
184 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
2 |
18328 |
54.5 |
-6.1 |
0.950 |
2 |
0 |
0 |
0.000 |
49 |
55 |
|
C |
4 |
3 |
18357 |
◊ |
[SO4]B:502 |
x,y-1,z |
1_545 |
4 |
1 |
186 |
53.2 |
-6.2 |
0.916 |
2 |
0 |
0 |
0.000 |
50 |
56 |
|
[GOL]D:508 |
4 |
1 |
218 |
f |
[GOL]D:507 |
x,y,z |
1_555 |
4 |
1 |
214 |
47.9 |
0.0 |
0.566 |
1 |
0 |
0 |
0.000 |
51 |
57 |
|
[GOL]C:1595 |
6 |
1 |
217 |
f |
[GOL]C:1594 |
x,y,z |
1_555 |
4 |
1 |
220 |
45.0 |
0.7 |
0.668 |
3 |
0 |
0 |
0.000 |
52 |
58 |
|
[GOL]C:1594 |
2 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
18645 |
37.3 |
-0.7 |
0.313 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
C |
5 |
1 |
18357 |
f |
[NAG]C:498 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
363 |
29.5 |
1.0 |
0.431 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[SO4]B:500 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18328 |
28.5 |
-3.6 |
0.621 |
0 |
0 |
0 |
0.000 |
55 |
61 |
|
[SO4]D:499 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18357 |
28.3 |
-3.5 |
0.522 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
[GOL]D:508 |
3 |
1 |
218 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
1 |
18516 |
18.4 |
0.3 |
0.662 |
0 |
0 |
0 |
0.000 |
57 |
63 |
|
[GOL]C:1591 |
2 |
1 |
221 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
2 |
18516 |
17.3 |
-0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[SO4]A:499 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18516 |
15.8 |
-1.9 |
0.811 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[SO4]C:499 |
1 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18645 |
14.4 |
-2.0 |
0.341 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[SO4]A:502 |
1 |
1 |
185 |
f |
[SO4]A:501 |
x,y,z |
1_555 |
1 |
1 |
184 |
11.1 |
-2.7 |
0.800 |
0 |
0 |
0 |
0.004 |
61 |
67 |
|
[SO4]D:505 |
1 |
1 |
185 |
f |
[SO4]D:503 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.7 |
-2.6 |
0.800 |
0 |
0 |
0 |
0.003 |
62 |
68 |
|
[SO4]B:505 |
1 |
1 |
185 |
f |
[SO4]B:503 |
x,y,z |
1_555 |
1 |
1 |
185 |
7.9 |
-1.9 |
0.800 |
0 |
0 |
0 |
0.002 |
63 |
69 |
|
[NAG]A:498 |
1 |
1 |
364 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
18328 |
1.1 |
0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
|