## |
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 |
|
B |
189 |
56 |
27287 |
◊ |
A |
x,y,z |
1_555 |
178 |
49 |
20002 |
1648.9 |
-26.1 |
0.087 |
8 |
1 |
0 |
0.445 |
2 |
|
C |
183 |
55 |
27505 |
◊ |
D |
-x,y,-z+2 |
2_557 |
177 |
49 |
19911 |
1576.6 |
-27.0 |
0.082 |
6 |
1 |
0 |
0.445 |
Average: |
1612.7 |
-26.5 |
0.084 |
7 |
1 |
0 |
0.445 |
2 |
3 |
|
B |
159 |
46 |
27287 |
◊ |
A |
-x,y,-z+1 |
2_556 |
172 |
53 |
20002 |
1532.3 |
-26.7 |
0.035 |
6 |
2 |
0 |
0.444 |
4 |
|
C |
168 |
47 |
27505 |
◊ |
D |
x,y,z |
1_555 |
169 |
53 |
19911 |
1496.7 |
-26.5 |
0.068 |
7 |
1 |
0 |
0.444 |
Average: |
1514.5 |
-26.6 |
0.052 |
7 |
2 |
0 |
0.444 |
3 |
5 |
|
C |
80 |
24 |
27505 |
◊ |
B |
-x,y,-z+1 |
2_556 |
83 |
23 |
27287 |
682.5 |
-4.5 |
0.735 |
6 |
2 |
0 |
0.000 |
4 |
6 |
|
B |
69 |
23 |
27287 |
◊ |
C |
x-1/2,y-1/2,z-1 |
3_444 |
65 |
19 |
27505 |
550.8 |
-1.5 |
0.753 |
3 |
3 |
0 |
0.000 |
5 |
7 |
|
C |
18 |
6 |
27505 |
◊ |
D |
-x,y-1,-z+2 |
2_547 |
22 |
8 |
19911 |
202.8 |
-2.5 |
0.424 |
0 |
0 |
0 |
0.000 |
8 |
|
B |
19 |
7 |
27287 |
◊ |
A |
x,y-1,z |
1_545 |
18 |
8 |
20002 |
190.8 |
-2.9 |
0.318 |
0 |
0 |
0 |
0.000 |
Average: |
196.8 |
-2.7 |
0.371 |
0 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
20 |
7 |
19911 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
25 |
9 |
20002 |
200.2 |
-0.7 |
0.683 |
4 |
0 |
0 |
0.000 |
10 |
|
D |
27 |
10 |
19911 |
◊ |
A |
-x,y,-z+1 |
2_556 |
22 |
7 |
20002 |
188.5 |
-1.3 |
0.626 |
4 |
0 |
0 |
0.000 |
Average: |
194.4 |
-1.0 |
0.655 |
4 |
0 |
0 |
0.000 |
7 |
11 |
|
D |
17 |
6 |
19911 |
◊ |
C |
x,y-1,z |
1_545 |
20 |
8 |
27505 |
180.3 |
-2.6 |
0.378 |
0 |
0 |
0 |
0.000 |
12 |
|
A |
17 |
6 |
20002 |
◊ |
B |
-x,y-1,-z+1 |
2_546 |
21 |
8 |
27287 |
180.2 |
-2.3 |
0.432 |
0 |
0 |
0 |
0.000 |
Average: |
180.2 |
-2.5 |
0.405 |
0 |
0 |
0 |
0.000 |
8 |
13 |
|
[MAL]A:609 |
13 |
1 |
453 |
f |
B |
-x,y-1,-z+1 |
2_546 |
24 |
9 |
27287 |
163.1 |
-0.6 |
0.435 |
3 |
0 |
0 |
0.025 |
9 |
14 |
|
[GLC]B:606 |
11 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
26 |
7 |
27287 |
140.8 |
2.2 |
0.406 |
2 |
0 |
0 |
0.000 |
10 |
15 |
|
[PO4]B:605 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
27287 |
125.8 |
-9.6 |
0.475 |
2 |
0 |
0 |
0.137 |
11 |
16 |
|
[PO4]C:609 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
27505 |
124.9 |
-8.8 |
0.653 |
3 |
0 |
0 |
0.151 |
12 |
17 |
|
[GLC]D:604 |
10 |
1 |
297 |
f |
D |
x,y,z |
1_555 |
25 |
6 |
19911 |
124.4 |
0.9 |
0.331 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[GLC]B:607 |
9 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
27287 |
119.6 |
1.9 |
0.492 |
2 |
0 |
0 |
0.000 |
14 |
19 |
|
[PO4]A:608 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
20002 |
106.7 |
-7.0 |
0.722 |
7 |
0 |
0 |
0.131 |
15 |
20 |
|
[PO4]B:604 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
27287 |
106.0 |
-6.5 |
0.735 |
4 |
0 |
0 |
0.108 |
16 |
21 |
|
[PO4]D:603 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
19911 |
105.8 |
-6.6 |
0.798 |
6 |
0 |
0 |
0.138 |
17 |
22 |
|
[GLC]B:607 |
8 |
1 |
296 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
4 |
20002 |
82.9 |
2.2 |
0.407 |
1 |
0 |
0 |
0.000 |
18 |
23 |
|
[GLC]D:604 |
7 |
1 |
297 |
◊ |
C |
x,y-1,z |
1_545 |
8 |
5 |
27505 |
72.3 |
2.7 |
0.536 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[K]A:604 |
1 |
1 |
216 |
f |
[K]A:603 |
x,y,z |
1_555 |
1 |
1 |
216 |
55.5 |
-55.5 |
0.000 |
0 |
0 |
0 |
0.096 |
20 |
25 |
|
[MAL]A:609 |
5 |
1 |
453 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
20002 |
54.9 |
1.0 |
0.641 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[K]C:608 |
1 |
1 |
216 |
f |
[K]C:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.1 |
-54.1 |
0.000 |
0 |
0 |
0 |
0.092 |
22 |
27 |
|
[K]A:605 |
1 |
1 |
216 |
f |
[K]A:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
52.7 |
-52.7 |
0.000 |
0 |
0 |
0 |
0.091 |
23 |
28 |
|
[K]C:608 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
9 |
3 |
27505 |
50.6 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.111 |
29 |
|
[K]A:604 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
8 |
3 |
27287 |
44.9 |
-29.2 |
0.000 |
0 |
0 |
0 |
0.111 |
Average: |
47.7 |
-30.9 |
0.000 |
0 |
0 |
0 |
0.111 |
24 |
30 |
|
[K]C:608 |
1 |
1 |
216 |
x |
D |
x,y,z |
1_555 |
9 |
3 |
19911 |
49.8 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.114 |
31 |
|
[K]A:604 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
9 |
3 |
20002 |
47.8 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
48.8 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.114 |
25 |
32 |
|
[K]C:603 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
8 |
4 |
27505 |
48.9 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.100 |
33 |
|
[K]A:601 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
8 |
4 |
27287 |
48.8 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
48.8 |
-29.0 |
0.000 |
0 |
0 |
0 |
0.100 |
26 |
34 |
|
D |
7 |
5 |
19911 |
◊ |
D |
-x,y,-z+2 |
2_557 |
7 |
5 |
19911 |
48.9 |
1.3 |
0.905 |
0 |
0 |
0 |
0.000 |
35 |
|
A |
5 |
4 |
20002 |
◊ |
A |
-x,y,-z+1 |
2_556 |
5 |
4 |
20002 |
17.9 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
Average: |
33.4 |
0.8 |
0.840 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[K]C:603 |
1 |
1 |
216 |
x |
D |
x,y,z |
1_555 |
8 |
4 |
19911 |
48.5 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.100 |
37 |
|
[K]A:601 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
8 |
4 |
20002 |
47.5 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
48.0 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.100 |
28 |
38 |
|
[K]C:601 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
10 |
3 |
27505 |
47.4 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.097 |
39 |
|
[K]A:603 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
10 |
3 |
27287 |
46.5 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
47.0 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.097 |
29 |
40 |
|
[K]A:603 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
10 |
3 |
20002 |
47.3 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.100 |
41 |
|
[K]C:601 |
1 |
1 |
216 |
x |
D |
x,y,z |
1_555 |
9 |
3 |
19911 |
46.9 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
47.1 |
-28.8 |
0.000 |
0 |
0 |
0 |
0.100 |
30 |
42 |
|
[K]A:602 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
9 |
4 |
27287 |
46.5 |
-28.6 |
0.000 |
0 |
0 |
0 |
0.096 |
43 |
|
[K]C:602 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
11 |
4 |
27505 |
45.9 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
46.2 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.096 |
31 |
44 |
|
[K]A:602 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
9 |
4 |
20002 |
46.0 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.100 |
45 |
|
[K]C:602 |
1 |
1 |
216 |
x |
D |
x,y,z |
1_555 |
10 |
4 |
19911 |
45.6 |
-28.4 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
45.8 |
-28.7 |
0.000 |
0 |
0 |
0 |
0.100 |
32 |
46 |
|
[K]C:604 |
1 |
1 |
216 |
x |
D |
x,y,z |
1_555 |
8 |
4 |
19911 |
44.9 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.091 |
47 |
|
[K]A:605 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
7 |
4 |
20002 |
43.0 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
43.9 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.091 |
33 |
48 |
|
[K]C:603 |
1 |
1 |
216 |
f |
[K]C:602 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.8 |
-44.8 |
0.000 |
0 |
0 |
0 |
0.077 |
34 |
49 |
|
[K]A:602 |
1 |
1 |
216 |
f |
[K]A:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.7 |
-44.7 |
0.000 |
0 |
0 |
0 |
0.077 |
35 |
50 |
|
[K]C:604 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
8 |
4 |
27505 |
44.7 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.090 |
51 |
|
[K]A:605 |
1 |
1 |
216 |
x |
B |
x,y,z |
1_555 |
7 |
3 |
27287 |
44.6 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
44.7 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.090 |
36 |
52 |
|
[K]C:604 |
1 |
1 |
216 |
f |
[K]C:603 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.4 |
-44.4 |
0.000 |
0 |
0 |
0 |
0.076 |
37 |
53 |
|
[K]A:603 |
1 |
1 |
216 |
f |
[K]A:602 |
x,y,z |
1_555 |
1 |
1 |
216 |
43.8 |
-43.8 |
0.000 |
0 |
0 |
0 |
0.076 |
38 |
54 |
|
[K]C:602 |
1 |
1 |
216 |
f |
[K]C:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
43.5 |
-43.5 |
0.000 |
0 |
0 |
0 |
0.074 |
39 |
55 |
|
[K]D:601 |
1 |
1 |
216 |
f |
[K]C:604 |
x,y,z |
1_555 |
1 |
1 |
216 |
41.0 |
-41.0 |
0.000 |
0 |
0 |
0 |
0.070 |
40 |
56 |
|
[K]B:603 |
1 |
1 |
216 |
f |
[K]A:605 |
x,y,z |
1_555 |
1 |
1 |
216 |
35.6 |
-35.6 |
0.000 |
0 |
0 |
0 |
0.062 |
41 |
57 |
|
B |
7 |
6 |
27287 |
◊ |
B |
-x,y,-z+1 |
2_556 |
7 |
6 |
27287 |
34.3 |
-0.5 |
0.593 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
7 |
5 |
27505 |
◊ |
C |
-x,y,-z+2 |
2_557 |
7 |
5 |
27505 |
16.8 |
-0.4 |
0.638 |
0 |
0 |
0 |
0.000 |
Average: |
25.5 |
-0.5 |
0.616 |
0 |
0 |
0 |
0.001 |
42 |
59 |
|
[CA]A:607 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
20002 |
33.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.095 |
60 |
|
[CA]C:606 |
1 |
1 |
85 |
f |
D |
-x,y,-z+2 |
2_557 |
7 |
4 |
19911 |
32.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
32.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.095 |
43 |
61 |
|
[CA]C:607 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
27505 |
32.8 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.095 |
62 |
|
[CA]B:602 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
27287 |
32.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
32.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.095 |
44 |
63 |
|
[CA]A:607 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
27287 |
31.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.090 |
64 |
|
[CA]C:606 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
27505 |
31.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
31.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.090 |
45 |
65 |
|
[CA]B:602 |
1 |
1 |
85 |
◊ |
A |
-x,y,-z+1 |
2_556 |
5 |
3 |
20002 |
31.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
66 |
|
[CA]C:607 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
19911 |
30.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
30.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.091 |
46 |
67 |
|
[K]C:608 |
1 |
1 |
216 |
f |
[K]C:602 |
x,y,z |
1_555 |
1 |
1 |
216 |
16.2 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.028 |
47 |
68 |
|
[K]C:603 |
1 |
1 |
216 |
f |
[K]C:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.9 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.022 |
48 |
69 |
|
[K]A:604 |
1 |
1 |
216 |
f |
[K]A:602 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.8 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.022 |
49 |
70 |
|
[K]A:603 |
1 |
1 |
216 |
f |
[K]A:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.6 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.015 |
50 |
71 |
|
[K]A:605 |
1 |
1 |
216 |
f |
[K]A:602 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.013 |
51 |
72 |
|
[K]C:604 |
1 |
1 |
216 |
f |
[K]C:602 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.012 |
|