## |
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 |
138 |
41 |
15599 |
◊ |
B |
x,y,z |
1_555 |
137 |
41 |
15819 |
1375.0 |
-6.4 |
0.497 |
21 |
5 |
0 |
0.198 |
2 |
|
C |
138 |
40 |
15858 |
◊ |
A |
x,y,z |
1_555 |
139 |
41 |
16062 |
1327.3 |
-7.4 |
0.543 |
20 |
6 |
0 |
0.198 |
Average: |
1351.1 |
-6.9 |
0.520 |
21 |
6 |
0 |
0.198 |
2 |
3 |
|
D |
106 |
34 |
15599 |
◊ |
A |
x,y,z |
1_555 |
113 |
33 |
16062 |
1052.7 |
-15.2 |
0.052 |
10 |
0 |
0 |
0.289 |
4 |
|
C |
107 |
32 |
15858 |
◊ |
B |
x,y,z |
1_555 |
105 |
32 |
15819 |
1052.4 |
-15.4 |
0.061 |
10 |
0 |
0 |
0.289 |
Average: |
1052.5 |
-15.3 |
0.056 |
10 |
0 |
0 |
0.289 |
3 |
5 |
|
C |
84 |
31 |
15858 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
92 |
32 |
15819 |
826.0 |
-4.6 |
0.538 |
4 |
3 |
0 |
0.000 |
4 |
6 |
|
D |
74 |
16 |
15599 |
◊ |
C |
x,y,z |
1_555 |
72 |
16 |
15858 |
637.4 |
-0.8 |
0.678 |
17 |
8 |
0 |
0.039 |
5 |
7 |
|
B |
72 |
16 |
15819 |
◊ |
A |
x,y,z |
1_555 |
72 |
16 |
16062 |
636.4 |
0.0 |
0.772 |
12 |
8 |
0 |
0.027 |
6 |
8 |
|
[NAD]B:401 |
41 |
1 |
831 |
f |
B |
x,y,z |
1_555 |
73 |
27 |
15819 |
549.9 |
-7.0 |
0.387 |
8 |
0 |
0 |
0.303 |
9 |
|
[NAD]A:401 |
41 |
1 |
827 |
f |
A |
x,y,z |
1_555 |
75 |
28 |
16062 |
545.7 |
-7.8 |
0.319 |
7 |
0 |
0 |
0.303 |
10 |
|
[NAD]C:401 |
41 |
1 |
834 |
f |
C |
x,y,z |
1_555 |
76 |
28 |
15858 |
544.3 |
-7.2 |
0.346 |
7 |
0 |
0 |
0.303 |
Average: |
546.6 |
-7.3 |
0.351 |
7 |
0 |
0 |
0.303 |
7 |
11 |
|
[NAD]D:401 |
43 |
1 |
830 |
f |
D |
x,y,z |
1_555 |
72 |
30 |
15599 |
540.9 |
-7.0 |
0.353 |
9 |
0 |
0 |
0.132 |
8 |
12 |
|
D |
59 |
17 |
15599 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
63 |
19 |
15858 |
529.0 |
-4.7 |
0.347 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
B |
33 |
10 |
15819 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
37 |
10 |
15599 |
297.7 |
1.1 |
0.786 |
2 |
1 |
0 |
0.000 |
10 |
14 |
|
A |
22 |
10 |
16062 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
27 |
7 |
15599 |
217.0 |
0.9 |
0.743 |
3 |
1 |
0 |
0.000 |
11 |
15 |
|
D |
21 |
4 |
15599 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
23 |
6 |
15819 |
191.1 |
-0.9 |
0.540 |
1 |
0 |
0 |
0.000 |
12 |
16 |
|
A |
19 |
5 |
16062 |
◊ |
C |
x-1/2,-y-3/2,-z |
4_435 |
19 |
8 |
15858 |
147.1 |
-1.2 |
0.493 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
[GOL]D:404 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
15599 |
122.0 |
-0.3 |
0.550 |
2 |
0 |
0 |
0.014 |
14 |
18 |
|
A |
15 |
6 |
16062 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
15 |
6 |
15819 |
122.0 |
-1.0 |
0.473 |
2 |
1 |
0 |
0.000 |
15 |
19 |
|
[GOL]D:403 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
15599 |
115.1 |
-0.0 |
0.600 |
4 |
0 |
0 |
0.022 |
16 |
20 |
|
[GOL]B:402 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
15819 |
106.6 |
-0.8 |
0.473 |
1 |
0 |
0 |
0.018 |
17 |
21 |
|
A |
13 |
5 |
16062 |
◊ |
D |
-x-1/2,-y-1,z-1/2 |
2_444 |
7 |
3 |
15599 |
105.8 |
-0.1 |
0.615 |
1 |
0 |
0 |
0.000 |
18 |
22 |
|
[GOL]A:402 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
16062 |
93.5 |
-0.4 |
0.536 |
3 |
0 |
0 |
0.019 |
19 |
23 |
|
[GOL]A:403 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
15858 |
93.2 |
-0.3 |
0.616 |
5 |
0 |
0 |
0.036 |
20 |
24 |
|
[GOL]C:402 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
15858 |
92.6 |
-0.1 |
0.535 |
3 |
0 |
0 |
0.022 |
21 |
25 |
|
[GOL]C:404 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
16062 |
92.4 |
-0.2 |
0.692 |
5 |
0 |
0 |
0.027 |
22 |
26 |
|
[SO4]A:405 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
15858 |
91.2 |
-11.3 |
0.679 |
1 |
0 |
0 |
0.171 |
23 |
27 |
|
[SO4]C:405 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16062 |
91.0 |
-10.7 |
0.764 |
1 |
0 |
0 |
0.123 |
24 |
28 |
|
[SO4]B:403 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
15599 |
89.2 |
-11.0 |
0.687 |
1 |
0 |
0 |
0.137 |
25 |
29 |
|
[GOL]A:402 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
15819 |
86.2 |
0.0 |
0.648 |
2 |
0 |
0 |
0.004 |
26 |
30 |
|
[GOL]C:402 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
15599 |
80.3 |
-0.1 |
0.512 |
3 |
0 |
0 |
0.006 |
27 |
31 |
|
D |
6 |
2 |
15599 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
8 |
2 |
15599 |
77.1 |
-0.0 |
0.613 |
1 |
0 |
0 |
0.000 |
28 |
32 |
|
[SO4]D:405 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
15599 |
68.5 |
-7.8 |
0.948 |
3 |
0 |
0 |
0.110 |
29 |
33 |
|
C |
11 |
5 |
15858 |
f |
[SO4]B:404 |
-x+1/2,-y-1,z-1/2 |
2_544 |
5 |
1 |
183 |
67.0 |
-9.2 |
0.663 |
2 |
0 |
0 |
0.146 |
30 |
34 |
|
[SO4]A:404 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
15599 |
62.9 |
-8.8 |
0.613 |
1 |
0 |
0 |
0.111 |
31 |
35 |
|
[GOL]C:403 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
15858 |
61.1 |
0.1 |
0.606 |
1 |
0 |
0 |
0.005 |
32 |
36 |
|
[SO4]A:404 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
16062 |
60.9 |
-8.1 |
0.805 |
2 |
0 |
0 |
0.086 |
33 |
37 |
|
[GOL]C:403 |
5 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
15819 |
59.3 |
-0.7 |
0.477 |
0 |
0 |
0 |
0.009 |
34 |
38 |
|
[GOL]A:403 |
4 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
16062 |
54.3 |
0.6 |
0.746 |
2 |
0 |
0 |
0.003 |
35 |
39 |
|
[GOL]C:404 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
15858 |
53.5 |
0.5 |
0.759 |
1 |
0 |
0 |
0.000 |
36 |
40 |
|
A |
8 |
3 |
16062 |
◊ |
[GOL]B:402 |
x-1/2,-y-1/2,-z |
4_445 |
5 |
1 |
220 |
48.6 |
-0.0 |
0.593 |
1 |
0 |
0 |
0.000 |
37 |
41 |
|
[SO4]C:405 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15858 |
45.7 |
-3.9 |
0.987 |
2 |
0 |
0 |
0.053 |
38 |
42 |
|
[SO4]B:403 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15819 |
43.7 |
-4.0 |
0.987 |
2 |
0 |
0 |
0.059 |
39 |
43 |
|
[SO4]A:405 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
16062 |
43.3 |
-3.9 |
0.985 |
2 |
0 |
0 |
0.054 |
40 |
44 |
|
[SO4]D:405 |
4 |
1 |
185 |
f |
[GOL]D:404 |
x,y,z |
1_555 |
4 |
1 |
216 |
41.8 |
-4.6 |
0.806 |
3 |
0 |
0 |
0.072 |
41 |
45 |
|
[GOL]C:404 |
3 |
1 |
215 |
◊ |
[GOL]A:403 |
x,y,z |
1_555 |
3 |
1 |
215 |
31.7 |
-1.0 |
0.399 |
0 |
0 |
0 |
0.011 |
42 |
46 |
|
A |
3 |
3 |
16062 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
5 |
2 |
15819 |
23.2 |
0.8 |
0.846 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
A |
4 |
2 |
16062 |
◊ |
[SO4]B:403 |
-x-1/2,-y-1,z-1/2 |
2_444 |
2 |
1 |
185 |
21.1 |
-2.3 |
0.885 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
C |
3 |
1 |
15858 |
◊ |
[NAD]B:401 |
-x+1/2,-y-1,z-1/2 |
2_544 |
2 |
1 |
831 |
15.5 |
-0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAD]C:401 |
4 |
1 |
834 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
2 |
1 |
15819 |
14.8 |
-0.1 |
0.418 |
0 |
0 |
0 |
0.000 |
Average: |
15.2 |
-0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
45 |
50 |
|
A |
4 |
3 |
16062 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
1 |
15858 |
10.3 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[GOL]B:402 |
2 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15599 |
8.9 |
0.3 |
0.689 |
0 |
0 |
0 |
0.000 |
47 |
52 |
|
A |
2 |
1 |
16062 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
15819 |
7.0 |
-0.4 |
0.230 |
0 |
0 |
0 |
0.000 |
48 |
53 |
|
[GOL]D:403 |
1 |
1 |
216 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
15858 |
2.1 |
0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[SO4]B:404 |
1 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15819 |
1.3 |
-0.2 |
0.697 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[SO4]B:404 |
1 |
1 |
183 |
◊ |
[NAD]B:401 |
x,y,z |
1_555 |
1 |
1 |
831 |
0.6 |
-0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
|