## |
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 |
96 |
29 |
10952 |
◊ |
C |
x,y,z |
1_555 |
99 |
30 |
10966 |
905.5 |
4.4 |
0.839 |
18 |
20 |
0 |
0.031 |
2 |
|
B |
99 |
29 |
11126 |
◊ |
A |
x,y,z |
1_555 |
102 |
30 |
10917 |
882.9 |
4.1 |
0.822 |
18 |
16 |
0 |
0.031 |
Average: |
894.2 |
4.2 |
0.831 |
18 |
18 |
0 |
0.031 |
2 |
3 |
|
B |
79 |
24 |
11126 |
◊ |
B |
-x,y,-z |
2_555 |
79 |
24 |
11126 |
703.8 |
0.2 |
0.592 |
8 |
16 |
0 |
0.012 |
3 |
4 |
|
D |
55 |
20 |
10952 |
◊ |
D |
-x-1,y,-z+1 |
2_456 |
54 |
20 |
10952 |
511.9 |
-2.0 |
0.387 |
6 |
4 |
0 |
0.020 |
4 |
5 |
|
D |
51 |
15 |
10952 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
47 |
12 |
10917 |
441.2 |
-1.0 |
0.454 |
6 |
5 |
0 |
0.012 |
5 |
6 |
|
B |
38 |
12 |
11126 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
35 |
11 |
10966 |
337.4 |
-1.8 |
0.374 |
2 |
0 |
0 |
0.006 |
6 |
7 |
|
B |
35 |
10 |
11126 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
36 |
10 |
10917 |
288.2 |
-0.4 |
0.499 |
1 |
2 |
0 |
0.005 |
7 |
8 |
|
C |
29 |
9 |
10966 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
27 |
10 |
11126 |
255.1 |
-0.4 |
0.484 |
4 |
0 |
0 |
0.005 |
8 |
9 |
|
A |
26 |
8 |
10917 |
x |
A |
-x-1/2,y-1/2,-z |
4_445 |
21 |
6 |
10917 |
213.7 |
-2.1 |
0.271 |
1 |
0 |
0 |
0.000 |
9 |
10 |
|
C |
27 |
9 |
10966 |
x |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
19 |
6 |
10966 |
194.8 |
-2.7 |
0.220 |
1 |
0 |
0 |
0.000 |
10 |
11 |
|
D |
23 |
9 |
10952 |
◊ |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
24 |
6 |
10966 |
186.8 |
0.9 |
0.680 |
1 |
0 |
0 |
0.000 |
11 |
12 |
|
C |
20 |
9 |
10966 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
19 |
7 |
10917 |
167.5 |
1.4 |
0.739 |
1 |
0 |
0 |
0.000 |
12 |
13 |
|
[GOL]A:301 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
10917 |
149.6 |
-0.8 |
0.432 |
2 |
0 |
0 |
0.008 |
13 |
14 |
|
[GOL]D:301 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
10952 |
148.6 |
-1.1 |
0.387 |
3 |
0 |
0 |
0.019 |
14 |
15 |
|
[GOL]B:301 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
27 |
10 |
11126 |
146.1 |
-1.1 |
0.449 |
4 |
0 |
0 |
0.013 |
15 |
16 |
|
[GOL]C:301 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
10966 |
144.9 |
-1.1 |
0.405 |
3 |
0 |
0 |
0.023 |
16 |
17 |
|
[PEG]B:313 |
7 |
1 |
258 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
11126 |
130.9 |
3.8 |
0.375 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[SO4]D:302 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
8 |
10952 |
103.4 |
-16.0 |
0.695 |
5 |
0 |
0 |
0.142 |
18 |
19 |
|
[SO4]B:303 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
11126 |
102.8 |
-15.7 |
0.698 |
5 |
0 |
0 |
0.079 |
19 |
20 |
|
[SO4]A:303 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
10917 |
100.4 |
-16.0 |
0.700 |
5 |
0 |
0 |
0.081 |
20 |
21 |
|
[SO4]C:302 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
10966 |
100.3 |
-15.7 |
0.710 |
5 |
0 |
0 |
0.171 |
21 |
22 |
|
[MLA]D:312 |
7 |
1 |
227 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
10952 |
95.7 |
-4.4 |
0.699 |
3 |
0 |
0 |
0.044 |
22 |
23 |
|
[FMT]C:309 |
3 |
1 |
148 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
10966 |
91.6 |
0.1 |
0.393 |
1 |
0 |
0 |
0.004 |
23 |
24 |
|
[SO4]A:307 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
10917 |
90.9 |
-12.4 |
0.865 |
3 |
0 |
0 |
0.061 |
24 |
25 |
|
[GOL]A:302 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
11126 |
88.5 |
-1.3 |
0.350 |
1 |
0 |
0 |
0.008 |
25 |
26 |
|
[SO4]D:307 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10952 |
88.0 |
-11.0 |
0.912 |
3 |
0 |
0 |
0.096 |
26 |
27 |
|
[SO4]D:308 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
10952 |
86.7 |
-11.7 |
0.869 |
3 |
0 |
0 |
0.101 |
27 |
28 |
|
[SO4]D:304 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10952 |
85.8 |
-12.6 |
0.769 |
3 |
0 |
0 |
0.108 |
28 |
29 |
|
[FMT]C:308 |
3 |
1 |
148 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
10966 |
85.7 |
0.3 |
0.613 |
2 |
0 |
0 |
0.006 |
29 |
30 |
|
[FMT]A:312 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
10917 |
85.5 |
-0.2 |
0.348 |
0 |
0 |
0 |
0.000 |
30 |
31 |
|
[SO4]C:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10966 |
85.2 |
-12.5 |
0.754 |
3 |
0 |
0 |
0.132 |
31 |
32 |
|
[SO4]A:304 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
10917 |
83.9 |
-12.3 |
0.704 |
3 |
0 |
0 |
0.061 |
32 |
33 |
|
[SO4]D:309 |
5 |
1 |
185 |
f |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
11 |
6 |
10966 |
83.4 |
-10.5 |
0.559 |
4 |
0 |
0 |
0.117 |
33 |
34 |
|
[SO4]B:307 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
11126 |
82.8 |
-12.6 |
0.582 |
3 |
0 |
0 |
0.062 |
34 |
35 |
|
[FMT]B:312 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
11126 |
81.8 |
-0.8 |
0.338 |
0 |
0 |
0 |
0.003 |
35 |
36 |
|
B |
11 |
4 |
11126 |
f |
[SO4]A:309 |
-x-1/2,y-1/2,-z |
4_445 |
5 |
1 |
185 |
81.7 |
-11.8 |
0.538 |
1 |
0 |
0 |
0.054 |
36 |
37 |
|
[SO4]B:302 |
5 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
11126 |
79.5 |
-10.6 |
0.863 |
5 |
0 |
0 |
0.057 |
37 |
38 |
|
[SO4]D:305 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10952 |
79.2 |
-10.5 |
0.857 |
4 |
0 |
0 |
0.095 |
38 |
39 |
|
[SO4]A:306 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10917 |
78.1 |
-10.5 |
0.872 |
4 |
0 |
0 |
0.054 |
39 |
40 |
|
[SO4]C:305 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
10966 |
77.8 |
-9.8 |
0.921 |
4 |
0 |
0 |
0.110 |
40 |
41 |
|
[SO4]B:304 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
11126 |
76.5 |
-10.1 |
0.907 |
3 |
0 |
0 |
0.051 |
41 |
42 |
|
D |
15 |
8 |
10952 |
◊ |
[SO4]A:305 |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
1 |
185 |
76.2 |
-10.3 |
0.872 |
3 |
0 |
0 |
0.091 |
42 |
43 |
|
[SO4]B:305 |
5 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11126 |
75.9 |
-10.6 |
0.780 |
1 |
0 |
0 |
0.048 |
43 |
44 |
|
[SO4]D:303 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
10952 |
74.7 |
-10.1 |
0.789 |
1 |
0 |
0 |
0.050 |
44 |
45 |
|
[FMT]D:311 |
3 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
10952 |
74.6 |
-0.6 |
0.355 |
0 |
0 |
0 |
0.004 |
45 |
46 |
|
[SO4]D:303 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10966 |
74.3 |
-10.5 |
0.809 |
2 |
0 |
0 |
0.109 |
46 |
47 |
|
[MLA]D:312 |
6 |
1 |
227 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
10966 |
73.4 |
-0.8 |
0.833 |
0 |
0 |
0 |
0.004 |
47 |
48 |
|
[SO4]B:305 |
5 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
10917 |
72.7 |
-9.9 |
0.805 |
3 |
0 |
0 |
0.050 |
48 |
49 |
|
[FMT]B:311 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
10917 |
72.2 |
-0.1 |
0.547 |
2 |
0 |
0 |
0.004 |
49 |
50 |
|
[SO4]B:308 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
11126 |
68.8 |
-9.7 |
0.581 |
2 |
0 |
0 |
0.047 |
50 |
51 |
|
[FMT]A:314 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
11126 |
68.1 |
-1.0 |
0.243 |
0 |
0 |
0 |
0.005 |
51 |
52 |
|
[CL]C:307 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
10966 |
67.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.101 |
52 |
53 |
|
[CL]A:310 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
10917 |
65.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.118 |
54 |
|
[CL]C:306 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
10966 |
64.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.118 |
55 |
|
[CL]B:309 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
11126 |
64.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.118 |
56 |
|
[CL]D:310 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
10952 |
63.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
64.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.118 |
53 |
57 |
|
[SO4]A:309 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
10917 |
64.6 |
-9.1 |
0.565 |
2 |
0 |
0 |
0.044 |
54 |
58 |
|
[FMT]A:311 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
10917 |
64.4 |
1.0 |
0.739 |
3 |
0 |
0 |
0.002 |
55 |
59 |
|
[SO4]C:304 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
10966 |
63.0 |
-8.5 |
0.621 |
2 |
0 |
0 |
0.089 |
56 |
60 |
|
[SO4]D:306 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
10952 |
62.8 |
-8.8 |
0.574 |
2 |
0 |
0 |
0.075 |
57 |
61 |
|
[CL]B:310 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
11126 |
58.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.033 |
58 |
62 |
|
D |
8 |
5 |
10952 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
5 |
3 |
10917 |
58.6 |
-0.7 |
0.335 |
0 |
0 |
0 |
0.002 |
59 |
63 |
|
[GOL]A:302 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
10917 |
57.7 |
0.8 |
0.741 |
4 |
0 |
0 |
0.004 |
60 |
64 |
|
[FMT]A:313 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
11126 |
56.8 |
-0.2 |
0.397 |
1 |
0 |
0 |
0.003 |
61 |
65 |
|
[SO4]D:309 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
10952 |
56.4 |
-8.0 |
0.514 |
1 |
0 |
0 |
0.019 |
62 |
66 |
|
[SO4]A:308 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10917 |
54.4 |
-7.5 |
0.636 |
1 |
0 |
0 |
0.035 |
63 |
67 |
|
[SO4]B:306 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
3 |
11126 |
51.9 |
-6.6 |
0.816 |
1 |
0 |
0 |
0.031 |
64 |
68 |
|
[FMT]A:313 |
2 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
10917 |
51.0 |
-0.1 |
0.589 |
1 |
0 |
0 |
0.002 |
65 |
69 |
|
[FMT]A:314 |
3 |
1 |
149 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
10917 |
47.0 |
0.3 |
0.429 |
0 |
0 |
0 |
0.000 |
66 |
70 |
|
[SO4]B:306 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
10917 |
45.6 |
-6.0 |
0.494 |
0 |
0 |
0 |
0.026 |
67 |
71 |
|
[PEG]B:313 |
4 |
1 |
258 |
f |
[SO4]B:304 |
x,y,z |
1_555 |
4 |
1 |
185 |
41.6 |
-3.7 |
0.434 |
1 |
0 |
0 |
0.019 |
68 |
72 |
|
[CL]B:310 |
1 |
1 |
125 |
◊ |
C |
-x-1/2,y-1/2,-z |
4_445 |
7 |
4 |
10966 |
40.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.010 |
69 |
73 |
|
[FMT]B:311 |
3 |
1 |
148 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11126 |
40.1 |
0.3 |
0.450 |
0 |
0 |
0 |
0.000 |
70 |
74 |
|
B |
2 |
1 |
11126 |
◊ |
A |
-x,y,-z |
2_555 |
7 |
4 |
10917 |
39.4 |
0.7 |
0.769 |
0 |
0 |
0 |
0.000 |
71 |
75 |
|
D |
4 |
1 |
10952 |
◊ |
[SO4]C:304 |
-x-1/2,y-1/2,-z+1 |
4_446 |
4 |
1 |
187 |
38.2 |
-3.2 |
0.960 |
1 |
0 |
0 |
0.008 |
72 |
76 |
|
B |
3 |
1 |
11126 |
◊ |
[SO4]A:308 |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
185 |
34.7 |
-4.3 |
0.469 |
0 |
0 |
0 |
0.019 |
73 |
77 |
|
[SO4]D:307 |
4 |
1 |
185 |
◊ |
[SO4]A:305 |
-x-1/2,y-1/2,-z+1 |
4_446 |
4 |
1 |
185 |
33.6 |
-7.5 |
0.998 |
0 |
0 |
0 |
0.058 |
74 |
78 |
|
B |
2 |
1 |
11126 |
◊ |
[SO4]A:306 |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
184 |
27.8 |
-3.2 |
0.416 |
0 |
0 |
0 |
0.014 |
75 |
79 |
|
[FMT]D:311 |
2 |
1 |
148 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
4_446 |
4 |
2 |
10917 |
27.5 |
-0.2 |
0.394 |
0 |
0 |
0 |
0.000 |
76 |
80 |
|
[SO4]A:305 |
2 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10917 |
26.0 |
-2.2 |
0.963 |
1 |
0 |
0 |
0.007 |
77 |
81 |
|
D |
3 |
2 |
10952 |
f |
[SO4]A:305 |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
185 |
21.8 |
-3.0 |
0.497 |
0 |
0 |
0 |
0.023 |
78 |
82 |
|
D |
3 |
2 |
10952 |
◊ |
C |
-x-1,y,-z+1 |
2_456 |
3 |
2 |
10966 |
20.5 |
-0.5 |
0.293 |
0 |
0 |
0 |
0.002 |
79 |
83 |
|
[SO4]D:307 |
2 |
1 |
185 |
◊ |
D |
-x-1,y,-z+1 |
2_456 |
2 |
2 |
10952 |
20.0 |
-2.2 |
0.879 |
0 |
0 |
0 |
0.017 |
80 |
84 |
|
[SO4]B:304 |
4 |
1 |
185 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
1 |
11126 |
17.9 |
-1.6 |
0.874 |
0 |
0 |
0 |
0.007 |
81 |
85 |
|
D |
1 |
1 |
10952 |
◊ |
[SO4]A:304 |
x-1/2,y-1/2,z |
3_445 |
2 |
1 |
184 |
17.1 |
-1.4 |
0.965 |
1 |
0 |
0 |
0.005 |
82 |
86 |
|
[SO4]D:308 |
3 |
1 |
186 |
◊ |
D |
-x-1,y,-z+1 |
2_456 |
1 |
1 |
10952 |
15.4 |
-1.1 |
0.979 |
0 |
0 |
0 |
0.009 |
83 |
87 |
|
[FMT]A:314 |
1 |
1 |
149 |
f |
[GOL]A:302 |
x,y,z |
1_555 |
3 |
1 |
216 |
14.5 |
0.3 |
0.441 |
0 |
0 |
0 |
0.000 |
84 |
88 |
|
[FMT]C:308 |
3 |
1 |
148 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
11126 |
13.5 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
85 |
89 |
|
[SO4]D:309 |
2 |
1 |
185 |
◊ |
[SO4]C:305 |
-x-1/2,y-1/2,-z+1 |
4_446 |
1 |
1 |
185 |
8.9 |
-2.1 |
0.876 |
0 |
0 |
0 |
0.020 |
86 |
90 |
|
[SO4]B:303 |
1 |
1 |
185 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
11126 |
4.7 |
-0.6 |
0.511 |
0 |
0 |
0 |
0.003 |
87 |
91 |
|
[SO4]A:307 |
1 |
1 |
185 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
11126 |
4.2 |
-0.4 |
0.915 |
0 |
0 |
0 |
0.000 |
88 |
92 |
|
[FMT]A:313 |
1 |
1 |
148 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
11126 |
2.9 |
0.1 |
0.517 |
0 |
0 |
0 |
0.000 |
89 |
93 |
|
C |
1 |
1 |
10966 |
◊ |
[GOL]A:302 |
x-1/2,y+1/2,z |
3_455 |
3 |
1 |
216 |
2.0 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
90 |
94 |
|
C |
1 |
1 |
10966 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
11126 |
1.8 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
91 |
95 |
|
C |
1 |
1 |
10966 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
10917 |
0.7 |
0.0 |
0.663 |
0 |
0 |
0 |
0.000 |
|