## |
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 |
109 |
32 |
15432 |
◊ |
C |
x,y,z |
1_555 |
100 |
32 |
15671 |
946.9 |
-10.1 |
0.203 |
11 |
0 |
0 |
0.197 |
2 |
|
B |
101 |
32 |
15607 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
98 |
33 |
15576 |
901.6 |
-10.6 |
0.148 |
12 |
0 |
0 |
0.197 |
Average: |
924.3 |
-10.4 |
0.176 |
12 |
0 |
0 |
0.197 |
2 |
3 |
|
B |
58 |
19 |
15607 |
◊ |
A |
x,y,z |
1_555 |
54 |
16 |
15576 |
536.0 |
-5.9 |
0.220 |
3 |
0 |
0 |
0.000 |
4 |
|
D |
53 |
17 |
15432 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
51 |
16 |
15671 |
505.6 |
-6.1 |
0.198 |
2 |
0 |
0 |
0.000 |
Average: |
520.8 |
-6.0 |
0.209 |
3 |
0 |
0 |
0.000 |
3 |
5 |
|
B |
35 |
12 |
15607 |
◊ |
A |
x,y,z-1 |
1_554 |
35 |
11 |
15576 |
337.0 |
-2.4 |
0.418 |
1 |
0 |
0 |
0.000 |
6 |
|
D |
32 |
11 |
15432 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
34 |
12 |
15671 |
332.2 |
-2.6 |
0.394 |
2 |
0 |
0 |
0.000 |
Average: |
334.6 |
-2.5 |
0.406 |
2 |
0 |
0 |
0.000 |
4 |
7 |
|
C |
28 |
8 |
15671 |
◊ |
A |
x,y,z |
1_555 |
27 |
12 |
15576 |
233.6 |
-1.6 |
0.477 |
1 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
24 |
9 |
15671 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
8 |
15576 |
224.0 |
-0.4 |
0.615 |
4 |
0 |
0 |
0.000 |
6 |
9 |
|
[GOL]C:402 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
15671 |
151.3 |
-0.5 |
0.534 |
6 |
0 |
0 |
0.040 |
10 |
|
[GOL]B:403 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
15607 |
150.4 |
-0.6 |
0.514 |
6 |
0 |
0 |
0.040 |
Average: |
150.8 |
-0.5 |
0.524 |
6 |
0 |
0 |
0.040 |
7 |
11 |
|
[GOL]A:402 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
15576 |
151.2 |
-0.5 |
0.521 |
5 |
0 |
0 |
0.034 |
12 |
|
[GOL]D:402 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
28 |
11 |
15432 |
148.2 |
-0.4 |
0.530 |
4 |
0 |
0 |
0.034 |
Average: |
149.7 |
-0.5 |
0.526 |
5 |
0 |
0 |
0.034 |
8 |
13 |
|
[GOL]C:403 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
26 |
10 |
15671 |
128.2 |
-0.7 |
0.504 |
5 |
0 |
0 |
0.020 |
9 |
14 |
|
[GOL]B:401 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
15607 |
119.2 |
-0.6 |
0.501 |
4 |
0 |
0 |
0.030 |
10 |
15 |
|
[GOL]A:401 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
15576 |
116.9 |
-0.7 |
0.461 |
2 |
0 |
0 |
0.020 |
11 |
16 |
|
[GOL]C:401 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
15671 |
109.5 |
-0.2 |
0.583 |
2 |
0 |
0 |
0.007 |
12 |
17 |
|
[GOL]C:404 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
15671 |
106.9 |
-0.3 |
0.584 |
2 |
0 |
0 |
0.008 |
13 |
18 |
|
[GOL]B:404 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
15607 |
106.8 |
-0.5 |
0.496 |
1 |
0 |
0 |
0.012 |
14 |
19 |
|
[GOL]C:405 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
15671 |
103.5 |
0.5 |
0.619 |
2 |
0 |
0 |
0.002 |
15 |
20 |
|
[GOL]D:403 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
15432 |
103.0 |
0.1 |
0.583 |
4 |
0 |
0 |
0.011 |
16 |
21 |
|
[GOL]D:401 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
15432 |
102.6 |
-0.8 |
0.469 |
1 |
0 |
0 |
0.008 |
17 |
22 |
|
[PO4]C:407 |
5 |
1 |
192 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
15671 |
101.2 |
-6.6 |
0.740 |
3 |
0 |
0 |
0.053 |
18 |
23 |
|
[PO4]D:404 |
5 |
1 |
191 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
15432 |
100.3 |
-6.5 |
0.715 |
3 |
0 |
0 |
0.053 |
19 |
24 |
|
[PO4]D:406 |
5 |
1 |
192 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
15432 |
95.9 |
-6.6 |
0.673 |
1 |
0 |
0 |
0.047 |
20 |
25 |
|
[PO4]A:405 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
15576 |
95.8 |
-6.4 |
0.719 |
3 |
0 |
0 |
0.096 |
21 |
26 |
|
[GOL]A:404 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
15576 |
89.2 |
1.0 |
0.749 |
4 |
0 |
0 |
0.010 |
22 |
27 |
|
B |
13 |
5 |
15607 |
f |
[GOL]A:403 |
-x,y-1/2,-z+2 |
2_547 |
6 |
1 |
220 |
86.0 |
-0.6 |
0.432 |
1 |
0 |
0 |
0.013 |
23 |
28 |
|
[PO4]C:409 |
5 |
1 |
192 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
15671 |
84.3 |
-4.9 |
0.798 |
4 |
0 |
0 |
0.045 |
24 |
29 |
|
[PO4]C:408 |
5 |
1 |
191 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
15671 |
84.2 |
-4.5 |
0.875 |
2 |
0 |
0 |
0.036 |
25 |
30 |
|
[GOL]C:406 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
15671 |
84.2 |
-0.1 |
0.617 |
1 |
0 |
0 |
0.004 |
26 |
31 |
|
[PO4]D:405 |
5 |
1 |
191 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15432 |
84.0 |
-4.5 |
0.865 |
2 |
0 |
0 |
0.037 |
27 |
32 |
|
[PO4]A:406 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15576 |
82.9 |
-4.5 |
0.860 |
2 |
0 |
0 |
0.067 |
28 |
33 |
|
[PO4]B:405 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
15607 |
82.5 |
-4.4 |
0.872 |
2 |
0 |
0 |
0.065 |
29 |
34 |
|
[PO4]A:407 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
15576 |
81.4 |
-4.8 |
0.808 |
3 |
0 |
0 |
0.076 |
30 |
35 |
|
[GOL]B:402 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
15607 |
79.4 |
0.7 |
0.666 |
3 |
0 |
0 |
0.008 |
31 |
36 |
|
[GOL]B:402 |
4 |
1 |
221 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
12 |
6 |
15576 |
76.1 |
-1.0 |
0.348 |
0 |
0 |
0 |
0.012 |
32 |
37 |
|
[CL]C:412 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
15671 |
70.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.054 |
33 |
38 |
|
[CL]D:409 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15432 |
69.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.059 |
34 |
39 |
|
[GOL]C:406 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
15432 |
65.2 |
-0.8 |
0.450 |
0 |
0 |
0 |
0.005 |
35 |
40 |
|
[CL]A:408 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
15576 |
63.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.097 |
36 |
41 |
|
[CL]C:411 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
15671 |
61.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.052 |
37 |
42 |
|
[CL]D:408 |
1 |
1 |
125 |
f |
C |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
15671 |
60.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.054 |
38 |
43 |
|
C |
10 |
5 |
15671 |
◊ |
[GOL]A:404 |
x,y,z-1 |
1_554 |
5 |
1 |
219 |
59.9 |
-0.6 |
0.401 |
0 |
0 |
0 |
0.000 |
39 |
44 |
|
[PO4]D:405 |
4 |
1 |
191 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
15671 |
57.6 |
-3.2 |
0.776 |
2 |
0 |
0 |
0.028 |
40 |
45 |
|
[PO4]C:408 |
4 |
1 |
191 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
15432 |
56.3 |
-3.1 |
0.784 |
2 |
0 |
0 |
0.027 |
41 |
46 |
|
[GOL]C:405 |
6 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
15432 |
56.1 |
0.3 |
0.643 |
1 |
0 |
0 |
0.000 |
42 |
47 |
|
[CL]D:410 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
15432 |
55.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.092 |
48 |
|
[CL]C:410 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
15671 |
48.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
52.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.092 |
43 |
49 |
|
[CL]D:407 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
15432 |
55.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.087 |
50 |
|
[CL]B:406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
15607 |
54.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
54.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.087 |
44 |
51 |
|
[PO4]B:405 |
5 |
1 |
191 |
◊ |
A |
-x,y-1/2,-z+2 |
2_547 |
6 |
2 |
15576 |
54.9 |
-3.2 |
0.755 |
1 |
0 |
0 |
0.045 |
45 |
52 |
|
B |
6 |
2 |
15607 |
◊ |
[PO4]A:406 |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
191 |
51.8 |
-2.6 |
0.820 |
1 |
0 |
0 |
0.038 |
46 |
53 |
|
[GOL]D:403 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
15671 |
44.2 |
-0.3 |
0.401 |
0 |
0 |
0 |
0.002 |
47 |
54 |
|
[GOL]A:403 |
2 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15576 |
42.1 |
0.5 |
0.703 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[GOL]C:406 |
4 |
1 |
220 |
◊ |
[GOL]C:405 |
x,y,z |
1_555 |
4 |
1 |
220 |
34.5 |
0.2 |
0.556 |
1 |
0 |
0 |
0.002 |
49 |
56 |
|
[CL]C:410 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
15432 |
34.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.046 |
57 |
|
[CL]D:410 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
15671 |
27.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.046 |
Average: |
30.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.046 |
50 |
58 |
|
[GOL]B:402 |
4 |
1 |
221 |
◊ |
[PO4]A:406 |
-x,y-1/2,-z+2 |
2_547 |
3 |
1 |
191 |
33.5 |
-1.6 |
0.716 |
1 |
0 |
0 |
0.025 |
51 |
59 |
|
[PO4]A:405 |
3 |
1 |
191 |
f |
[GOL]A:404 |
x,y,z |
1_555 |
6 |
1 |
219 |
31.1 |
-1.8 |
0.686 |
0 |
0 |
0 |
0.022 |
52 |
60 |
|
[GOL]C:403 |
2 |
1 |
219 |
◊ |
[GOL]A:404 |
x,y,z-1 |
1_554 |
2 |
1 |
219 |
30.7 |
-0.5 |
0.360 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
[CL]D:407 |
1 |
1 |
125 |
f |
[GOL]D:401 |
x,y,z |
1_555 |
1 |
1 |
219 |
28.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
54 |
62 |
|
[CL]D:408 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15432 |
25.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[CL]C:412 |
1 |
1 |
125 |
f |
[GOL]C:403 |
x,y,z |
1_555 |
3 |
1 |
219 |
20.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.014 |
56 |
64 |
|
[CL]D:410 |
1 |
1 |
125 |
◊ |
[PO4]C:408 |
x,y,z |
1_555 |
3 |
1 |
191 |
19.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.032 |
65 |
|
[CL]C:410 |
1 |
1 |
125 |
◊ |
[PO4]D:405 |
x,y,z |
1_555 |
3 |
1 |
191 |
11.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
15.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.032 |
57 |
66 |
|
B |
3 |
1 |
15607 |
◊ |
[CL]A:408 |
-x,y-1/2,-z+2 |
2_547 |
1 |
1 |
125 |
9.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.011 |
58 |
67 |
|
[GOL]D:403 |
1 |
1 |
218 |
f |
[GOL]C:406 |
x,y,z |
1_555 |
2 |
1 |
220 |
7.7 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
59 |
68 |
|
[GOL]C:403 |
1 |
1 |
219 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
15576 |
3.4 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|