## |
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 |
|
H |
93 |
25 |
6143 |
◊ |
G |
x,y,z |
1_555 |
105 |
31 |
6509 |
898.8 |
2.1 |
0.757 |
14 |
12 |
0 |
0.000 |
2 |
|
D |
93 |
25 |
5921 |
◊ |
C |
x,y,z |
1_555 |
102 |
30 |
6409 |
894.8 |
1.1 |
0.693 |
14 |
9 |
0 |
0.000 |
3 |
|
B |
90 |
23 |
6009 |
◊ |
A |
x,y,z |
1_555 |
102 |
28 |
6492 |
890.5 |
1.5 |
0.662 |
13 |
10 |
0 |
0.000 |
4 |
|
F |
96 |
26 |
6030 |
◊ |
E |
x,y,z |
1_555 |
103 |
29 |
6284 |
888.9 |
1.5 |
0.732 |
16 |
12 |
0 |
0.000 |
Average: |
893.3 |
1.5 |
0.711 |
14 |
11 |
0 |
0.000 |
2 |
5 |
|
F |
38 |
9 |
6030 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
6492 |
353.2 |
-0.9 |
0.488 |
5 |
0 |
0 |
0.000 |
6 |
|
H |
36 |
9 |
6143 |
◊ |
C |
x,y,z |
1_555 |
45 |
12 |
6409 |
341.0 |
-1.2 |
0.496 |
4 |
0 |
0 |
0.000 |
Average: |
347.1 |
-1.1 |
0.492 |
5 |
0 |
0 |
0.000 |
3 |
7 |
|
D |
38 |
8 |
5921 |
◊ |
E |
x-1,y,z |
1_455 |
30 |
12 |
6284 |
309.4 |
2.1 |
0.795 |
7 |
7 |
0 |
0.000 |
8 |
|
F |
30 |
8 |
6030 |
◊ |
C |
x,y,z |
1_555 |
30 |
12 |
6409 |
280.3 |
-0.3 |
0.535 |
4 |
2 |
0 |
0.000 |
9 |
|
H |
21 |
6 |
6143 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
12 |
6492 |
237.1 |
0.3 |
0.538 |
5 |
3 |
0 |
0.000 |
Average: |
275.6 |
0.7 |
0.622 |
5 |
4 |
0 |
0.000 |
4 |
10 |
|
B |
35 |
8 |
6009 |
◊ |
G |
x,y,z |
1_555 |
27 |
12 |
6509 |
296.9 |
2.9 |
0.829 |
4 |
7 |
0 |
0.000 |
5 |
11 |
|
E |
22 |
10 |
6284 |
◊ |
G |
x,y-1,z+1 |
1_546 |
27 |
9 |
6509 |
241.7 |
-2.9 |
0.166 |
3 |
0 |
0 |
0.000 |
6 |
12 |
|
D |
27 |
7 |
5921 |
◊ |
A |
x-1,y,z+1 |
1_456 |
28 |
6 |
6492 |
215.7 |
-1.3 |
0.426 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
F |
22 |
7 |
6030 |
◊ |
D |
x,y,z |
1_555 |
27 |
7 |
5921 |
214.6 |
1.8 |
0.749 |
2 |
1 |
0 |
0.000 |
14 |
|
H |
17 |
6 |
6143 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
7 |
6009 |
203.3 |
1.3 |
0.711 |
2 |
1 |
0 |
0.000 |
Average: |
209.0 |
1.6 |
0.730 |
2 |
1 |
0 |
0.000 |
8 |
15 |
|
H |
23 |
7 |
6143 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
6009 |
205.7 |
-0.1 |
0.552 |
1 |
0 |
0 |
0.000 |
16 |
|
D |
24 |
6 |
5921 |
◊ |
F |
x-1,y,z |
1_455 |
23 |
8 |
6030 |
185.8 |
1.1 |
0.713 |
1 |
0 |
0 |
0.000 |
Average: |
195.8 |
0.5 |
0.632 |
1 |
0 |
0 |
0.000 |
9 |
17 |
|
C |
25 |
7 |
6409 |
◊ |
B |
x-1,y,z+1 |
1_456 |
24 |
7 |
6009 |
202.5 |
-0.8 |
0.440 |
1 |
0 |
0 |
0.000 |
10 |
18 |
|
C |
22 |
5 |
6409 |
◊ |
E |
x-1,y+1,z |
1_465 |
25 |
7 |
6284 |
186.2 |
-0.5 |
0.473 |
2 |
1 |
0 |
0.000 |
11 |
19 |
|
G |
17 |
4 |
6509 |
◊ |
A |
x-1,y+1,z |
1_465 |
24 |
8 |
6492 |
173.5 |
-1.8 |
0.234 |
1 |
1 |
0 |
0.000 |
12 |
20 |
|
[EPE]C:206 |
10 |
1 |
391 |
f |
C |
x,y,z |
1_555 |
18 |
4 |
6409 |
136.2 |
4.1 |
0.095 |
3 |
0 |
0 |
0.000 |
13 |
21 |
|
[GOL]F:203 |
6 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
6030 |
125.4 |
-0.9 |
0.488 |
3 |
0 |
0 |
0.018 |
14 |
22 |
|
H |
14 |
5 |
6143 |
◊ |
F |
x,y,z-1 |
1_554 |
15 |
5 |
6030 |
122.6 |
0.5 |
0.711 |
4 |
0 |
0 |
0.000 |
15 |
23 |
|
[GOL]H:203 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
20 |
7 |
6143 |
119.8 |
0.5 |
0.596 |
3 |
0 |
0 |
0.007 |
16 |
24 |
|
[GOL]C:205 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
6409 |
115.5 |
-0.8 |
0.457 |
3 |
0 |
0 |
0.161 |
17 |
25 |
|
[GOL]F:202 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
17 |
4 |
6030 |
111.5 |
-0.1 |
0.612 |
3 |
0 |
0 |
0.011 |
18 |
26 |
|
[GOL]H:204 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
16 |
4 |
6143 |
110.1 |
-0.9 |
0.501 |
2 |
0 |
0 |
0.016 |
19 |
27 |
|
E |
15 |
8 |
6284 |
◊ |
B |
x,y-1,z+1 |
1_546 |
14 |
4 |
6009 |
108.9 |
0.3 |
0.602 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[GOL]C:203 |
5 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
6409 |
106.3 |
-0.2 |
0.491 |
3 |
0 |
0 |
0.119 |
21 |
29 |
|
[GOL]C:204 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
6409 |
102.2 |
0.9 |
0.641 |
3 |
0 |
0 |
0.033 |
22 |
30 |
|
[PO4]A:202 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
6492 |
101.1 |
-5.6 |
0.819 |
4 |
0 |
0 |
0.049 |
23 |
31 |
|
[GOL]D:201 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
5921 |
96.3 |
0.1 |
0.629 |
4 |
0 |
0 |
0.058 |
24 |
32 |
|
[GOL]A:203 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
6009 |
96.3 |
1.0 |
0.769 |
2 |
0 |
0 |
0.000 |
25 |
33 |
|
[SO4]E:203 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
8 |
6284 |
96.2 |
-14.8 |
0.708 |
2 |
0 |
0 |
0.095 |
26 |
34 |
|
[GOL]H:202 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
15 |
5 |
6143 |
94.8 |
0.2 |
0.613 |
2 |
0 |
0 |
0.006 |
27 |
35 |
|
C |
12 |
3 |
6409 |
◊ |
A |
x-1,y,z+1 |
1_456 |
12 |
4 |
6492 |
93.7 |
-0.7 |
0.382 |
1 |
0 |
0 |
0.000 |
28 |
36 |
|
[GOL]F:205 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
13 |
4 |
6030 |
90.7 |
-0.3 |
0.577 |
3 |
0 |
0 |
0.013 |
29 |
37 |
|
[GOL]E:201 |
5 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
15 |
3 |
6284 |
89.9 |
-0.5 |
0.493 |
1 |
0 |
0 |
0.005 |
30 |
38 |
|
[GOL]B:202 |
6 |
1 |
220 |
◊ |
G |
x,y,z |
1_555 |
16 |
7 |
6509 |
88.9 |
0.6 |
0.629 |
2 |
0 |
0 |
0.000 |
31 |
39 |
|
[GOL]G:202 |
5 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
16 |
3 |
6509 |
88.3 |
-1.6 |
0.317 |
0 |
0 |
0 |
0.100 |
32 |
40 |
|
[GOL]E:202 |
6 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
6284 |
87.2 |
0.3 |
0.588 |
3 |
0 |
0 |
0.000 |
33 |
41 |
|
[GOL]F:204 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
6030 |
86.4 |
-0.0 |
0.605 |
1 |
0 |
0 |
0.004 |
34 |
42 |
|
[GOL]B:201 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
6009 |
83.6 |
0.7 |
0.673 |
0 |
0 |
0 |
0.000 |
35 |
43 |
|
[GOL]C:202 |
6 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
6409 |
82.8 |
0.3 |
0.542 |
1 |
0 |
0 |
0.000 |
36 |
44 |
|
E |
10 |
3 |
6284 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
6492 |
79.2 |
-1.3 |
0.220 |
1 |
0 |
0 |
0.000 |
37 |
45 |
|
[GOL]C:201 |
6 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
6409 |
77.2 |
0.3 |
0.583 |
2 |
0 |
0 |
0.000 |
38 |
46 |
|
[GOL]F:206 |
5 |
1 |
213 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
6492 |
76.2 |
-0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
[GOL]C:202 |
4 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
6030 |
75.4 |
-0.9 |
0.400 |
0 |
0 |
0 |
0.007 |
40 |
48 |
|
[PO4]A:201 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6492 |
73.7 |
-5.0 |
0.476 |
3 |
0 |
0 |
0.042 |
41 |
49 |
|
H |
12 |
5 |
6143 |
◊ |
[GOL]F:205 |
x,y,z-1 |
1_554 |
4 |
1 |
218 |
72.2 |
-0.6 |
0.545 |
0 |
0 |
0 |
0.000 |
42 |
50 |
|
[GOL]C:201 |
4 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
5921 |
66.2 |
-1.3 |
0.346 |
0 |
0 |
0 |
0.042 |
43 |
51 |
|
[GOL]B:202 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
6009 |
62.2 |
-0.5 |
0.449 |
0 |
0 |
0 |
0.100 |
44 |
52 |
|
[GOL]F:206 |
5 |
1 |
213 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
6030 |
58.4 |
-0.4 |
0.537 |
2 |
0 |
0 |
0.010 |
45 |
53 |
|
[PO4]H:201 |
5 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
6409 |
57.6 |
-3.3 |
0.669 |
1 |
0 |
0 |
0.000 |
46 |
54 |
|
[PO4]G:201 |
4 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
6143 |
57.1 |
-3.3 |
0.777 |
1 |
0 |
0 |
0.033 |
47 |
55 |
|
[GOL]A:203 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
6492 |
56.7 |
-0.4 |
0.471 |
1 |
0 |
0 |
0.006 |
48 |
56 |
|
[PO4]F:201 |
4 |
1 |
188 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
6030 |
55.8 |
-3.2 |
0.761 |
1 |
0 |
0 |
0.029 |
49 |
57 |
|
[PO4]G:201 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
6509 |
55.6 |
-3.0 |
0.810 |
1 |
0 |
0 |
0.000 |
50 |
58 |
|
[PO4]H:201 |
4 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
8 |
3 |
6143 |
55.2 |
-3.2 |
0.723 |
2 |
0 |
0 |
0.037 |
51 |
59 |
|
[GOL]F:206 |
5 |
1 |
213 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
6284 |
54.9 |
-1.1 |
0.322 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[GOL]B:201 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
6492 |
54.8 |
-0.4 |
0.432 |
0 |
0 |
0 |
0.003 |
53 |
61 |
|
[EPE]C:206 |
4 |
1 |
391 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
5921 |
54.4 |
0.6 |
0.074 |
1 |
0 |
0 |
0.000 |
54 |
62 |
|
[PO4]F:201 |
4 |
1 |
188 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
6284 |
54.1 |
-2.6 |
0.836 |
1 |
0 |
0 |
0.000 |
55 |
63 |
|
[GOL]D:201 |
4 |
1 |
218 |
◊ |
F |
x-1,y,z |
1_455 |
7 |
4 |
6030 |
53.6 |
0.1 |
0.667 |
2 |
0 |
0 |
0.000 |
56 |
64 |
|
[PO4]H:201 |
4 |
1 |
187 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
6509 |
53.3 |
-3.4 |
0.491 |
0 |
0 |
0 |
0.000 |
57 |
65 |
|
G |
9 |
4 |
6509 |
◊ |
[PO4]A:201 |
x-1,y+1,z |
1_465 |
4 |
1 |
188 |
52.8 |
-2.8 |
0.764 |
0 |
0 |
0 |
0.000 |
58 |
66 |
|
G |
7 |
3 |
6509 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
6409 |
50.8 |
-0.4 |
0.433 |
1 |
0 |
0 |
0.000 |
59 |
67 |
|
[GOL]C:203 |
5 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
9 |
2 |
6030 |
48.6 |
-0.6 |
0.441 |
0 |
0 |
0 |
0.000 |
60 |
68 |
|
[GOL]H:204 |
4 |
1 |
219 |
◊ |
A |
x-1,y,z |
1_455 |
7 |
2 |
6492 |
48.1 |
0.2 |
0.564 |
1 |
0 |
0 |
0.000 |
61 |
69 |
|
[PO4]G:201 |
4 |
1 |
187 |
◊ |
B |
x-1,y,z |
1_455 |
6 |
1 |
6009 |
42.7 |
-2.5 |
0.690 |
0 |
0 |
0 |
0.000 |
62 |
70 |
|
[PO4]F:201 |
4 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
5921 |
42.2 |
-2.4 |
0.674 |
0 |
0 |
0 |
0.000 |
63 |
71 |
|
[GOL]F:204 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
6284 |
38.6 |
0.1 |
0.574 |
1 |
0 |
0 |
0.000 |
64 |
72 |
|
[GOL]H:203 |
4 |
1 |
219 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
1 |
6009 |
34.4 |
0.1 |
0.621 |
0 |
0 |
0 |
0.000 |
65 |
73 |
|
[GOL]D:201 |
4 |
1 |
218 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
2 |
6284 |
32.6 |
0.5 |
0.737 |
2 |
0 |
0 |
0.000 |
66 |
74 |
|
[GOL]F:202 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6409 |
31.6 |
-0.6 |
0.486 |
0 |
0 |
0 |
0.000 |
67 |
75 |
|
[EPE]C:206 |
4 |
1 |
391 |
◊ |
F |
x-1,y,z |
1_455 |
7 |
4 |
6030 |
27.4 |
0.5 |
0.072 |
0 |
0 |
0 |
0.000 |
68 |
76 |
|
[GOL]E:202 |
3 |
1 |
220 |
f |
[PO4]F:201 |
x,y,z |
1_555 |
4 |
1 |
188 |
22.8 |
-0.8 |
0.781 |
1 |
0 |
0 |
0.009 |
69 |
77 |
|
[GOL]C:203 |
2 |
1 |
222 |
◊ |
[GOL]C:202 |
x,y,z |
1_555 |
1 |
1 |
221 |
19.7 |
0.0 |
0.486 |
0 |
0 |
0 |
0.000 |
70 |
78 |
|
[GOL]H:203 |
4 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
6509 |
19.2 |
0.3 |
0.709 |
1 |
0 |
0 |
0.000 |
71 |
79 |
|
D |
1 |
1 |
5921 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
6284 |
12.5 |
0.3 |
0.446 |
0 |
0 |
0 |
0.000 |
80 |
|
G |
1 |
1 |
6509 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
6009 |
10.3 |
0.3 |
0.477 |
0 |
0 |
0 |
0.000 |
Average: |
11.4 |
0.3 |
0.461 |
0 |
0 |
0 |
0.000 |
72 |
81 |
|
D |
1 |
1 |
5921 |
◊ |
[GOL]F:203 |
x-1,y,z |
1_455 |
1 |
1 |
216 |
11.0 |
0.5 |
0.686 |
0 |
0 |
0 |
0.000 |
73 |
82 |
|
[EPE]C:206 |
1 |
1 |
391 |
f |
[GOL]C:204 |
x,y,z |
1_555 |
2 |
1 |
221 |
5.0 |
0.0 |
0.289 |
0 |
0 |
0 |
0.000 |
74 |
83 |
|
[EPE]C:206 |
1 |
1 |
391 |
◊ |
[GOL]C:201 |
x,y,z |
1_555 |
1 |
1 |
217 |
4.9 |
0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
75 |
84 |
|
[GOL]B:201 |
1 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6030 |
4.8 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
76 |
85 |
|
[GOL]C:205 |
1 |
1 |
216 |
◊ |
E |
x-1,y+1,z |
1_465 |
1 |
1 |
6284 |
0.7 |
-0.0 |
0.519 |
0 |
0 |
0 |
0.000 |
|