## |
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 |
317 |
73 |
12489 |
◊ |
A |
x,y,z |
1_555 |
321 |
73 |
13206 |
3054.1 |
-40.3 |
0.074 |
40 |
4 |
0 |
0.791 |
2 |
|
D |
313 |
73 |
12921 |
◊ |
C |
x,y,z |
1_555 |
311 |
72 |
12528 |
3038.2 |
-41.2 |
0.029 |
41 |
4 |
0 |
0.791 |
Average: |
3046.2 |
-40.8 |
0.051 |
41 |
4 |
0 |
0.791 |
2 |
3 |
|
D |
158 |
40 |
12921 |
◊ |
A |
x,y,z |
1_555 |
165 |
41 |
13206 |
1405.9 |
-9.1 |
0.561 |
19 |
13 |
0 |
0.457 |
4 |
|
C |
133 |
37 |
12528 |
◊ |
B |
x,y,z |
1_555 |
126 |
34 |
12489 |
1222.2 |
-9.7 |
0.487 |
14 |
15 |
0 |
0.457 |
Average: |
1314.0 |
-9.4 |
0.524 |
17 |
14 |
0 |
0.457 |
3 |
5 |
|
C |
75 |
15 |
12528 |
◊ |
A |
x,y,z |
1_555 |
76 |
15 |
13206 |
631.4 |
-4.7 |
0.502 |
13 |
4 |
0 |
0.099 |
6 |
|
D |
77 |
15 |
12921 |
◊ |
B |
x,y,z |
1_555 |
73 |
15 |
12489 |
619.3 |
-4.3 |
0.526 |
13 |
4 |
0 |
0.099 |
Average: |
625.4 |
-4.5 |
0.514 |
13 |
4 |
0 |
0.099 |
4 |
7 |
|
D |
65 |
17 |
12921 |
◊ |
A |
-z+3/2,-x+1,y+1/2 |
7_665 |
65 |
18 |
13206 |
607.5 |
-2.7 |
0.621 |
6 |
2 |
0 |
0.000 |
8 |
|
B |
67 |
16 |
12489 |
◊ |
C |
z,x-1,y+1 |
5_546 |
59 |
17 |
12528 |
576.0 |
-4.8 |
0.468 |
4 |
3 |
0 |
0.000 |
Average: |
591.7 |
-3.7 |
0.544 |
5 |
3 |
0 |
0.000 |
5 |
9 |
|
D |
37 |
12 |
12921 |
◊ |
C |
-z+1,x-1/2,-y+1/2 |
8_645 |
42 |
14 |
12528 |
356.7 |
3.1 |
0.916 |
9 |
7 |
0 |
0.000 |
6 |
10 |
|
B |
13 |
6 |
12489 |
◊ |
A |
z-1/2,-x+1/2,-y+1 |
6_456 |
13 |
5 |
13206 |
117.3 |
-0.8 |
0.476 |
0 |
0 |
0 |
0.000 |
7 |
11 |
|
[GOL]C:303 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
12528 |
117.1 |
-0.1 |
0.677 |
3 |
0 |
0 |
0.036 |
8 |
12 |
|
[GOL]D:302 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
24 |
6 |
12921 |
114.1 |
-0.6 |
0.597 |
1 |
0 |
0 |
0.024 |
9 |
13 |
|
B |
11 |
3 |
12489 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
10 |
2 |
12921 |
110.7 |
-0.7 |
0.529 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[GOL]A:304 |
6 |
1 |
224 |
f |
A |
x,y,z |
1_555 |
23 |
5 |
13206 |
109.6 |
-0.8 |
0.505 |
2 |
0 |
0 |
0.041 |
11 |
15 |
|
[GOL]B:301 |
6 |
1 |
221 |
◊ |
C |
z,x-1,y+1 |
5_546 |
17 |
5 |
12528 |
108.1 |
-0.4 |
0.578 |
2 |
0 |
0 |
0.000 |
12 |
16 |
|
[IMD]A:302 |
5 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
13206 |
103.9 |
3.0 |
0.312 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
[GOL]A:305 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
13206 |
101.5 |
-0.4 |
0.587 |
0 |
0 |
0 |
0.008 |
14 |
18 |
|
A |
6 |
3 |
13206 |
◊ |
C |
-z+1,x-1/2,-y+1/2 |
8_645 |
10 |
3 |
12528 |
96.5 |
-0.2 |
0.379 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[GOL]D:301 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
12921 |
87.0 |
-1.6 |
0.374 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[GOL]D:301 |
6 |
1 |
218 |
f |
A |
-z+3/2,-x+1,y+1/2 |
7_665 |
12 |
4 |
13206 |
83.5 |
-0.0 |
0.638 |
4 |
0 |
0 |
0.042 |
17 |
21 |
|
[IMD]C:301 |
5 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
12528 |
77.8 |
1.9 |
0.342 |
2 |
0 |
0 |
0.000 |
18 |
22 |
|
[IMD]A:303 |
5 |
1 |
196 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
13206 |
77.6 |
2.0 |
0.308 |
1 |
0 |
0 |
0.000 |
23 |
|
[IMD]C:302 |
5 |
1 |
196 |
◊ |
D |
x,y,z |
1_555 |
13 |
5 |
12921 |
76.7 |
1.9 |
0.302 |
1 |
0 |
0 |
0.000 |
Average: |
77.1 |
1.9 |
0.305 |
1 |
0 |
0 |
0.000 |
19 |
24 |
|
[IMD]A:301 |
5 |
1 |
197 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
12489 |
76.9 |
1.9 |
0.356 |
1 |
0 |
0 |
0.000 |
20 |
25 |
|
[GOL]B:301 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12489 |
75.5 |
-0.7 |
0.490 |
2 |
0 |
0 |
0.041 |
21 |
26 |
|
[GOL]A:305 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
12489 |
65.4 |
0.6 |
0.701 |
2 |
0 |
0 |
0.004 |
22 |
27 |
|
[IMD]C:302 |
4 |
1 |
196 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
12528 |
51.7 |
0.5 |
0.147 |
0 |
0 |
0 |
0.000 |
28 |
|
[IMD]A:301 |
4 |
1 |
197 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
13206 |
50.1 |
0.5 |
0.175 |
0 |
0 |
0 |
0.000 |
29 |
|
[IMD]A:303 |
4 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
12489 |
50.0 |
0.5 |
0.156 |
0 |
0 |
0 |
0.000 |
Average: |
50.6 |
0.5 |
0.159 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[IMD]C:301 |
4 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
12921 |
50.8 |
0.6 |
0.154 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[GOL]D:302 |
5 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
13206 |
49.1 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
25 |
32 |
|
B |
4 |
2 |
12489 |
f |
[IMD]A:302 |
z-1/2,-x+1/2,-y+1 |
6_456 |
5 |
1 |
197 |
43.2 |
0.7 |
0.062 |
1 |
0 |
0 |
0.000 |
26 |
33 |
|
D |
5 |
3 |
12921 |
x |
D |
-z+1,x-1/2,-y+1/2 |
8_645 |
6 |
2 |
12921 |
42.5 |
-0.6 |
0.455 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[GOL]A:305 |
3 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12528 |
37.5 |
0.2 |
0.628 |
1 |
0 |
0 |
0.000 |
28 |
35 |
|
[NI]B:300 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
12489 |
36.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.279 |
36 |
|
[NI]C:300 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
12528 |
36.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.279 |
37 |
|
[NI]A:300 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
13206 |
35.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.279 |
38 |
|
[NI]D:300 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
12921 |
35.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.279 |
Average: |
36.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.279 |
29 |
39 |
|
[GOL]A:304 |
3 |
1 |
224 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
12921 |
28.0 |
0.2 |
0.600 |
0 |
0 |
0 |
0.000 |
30 |
40 |
|
[GOL]A:306 |
3 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
13206 |
27.5 |
-0.2 |
0.576 |
0 |
0 |
0 |
0.005 |
31 |
41 |
|
[IMD]C:301 |
2 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
13206 |
26.8 |
0.8 |
0.363 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
[IMD]A:301 |
2 |
1 |
197 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
12921 |
26.8 |
0.9 |
0.354 |
0 |
0 |
0 |
0.000 |
43 |
|
[IMD]A:303 |
2 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
12528 |
25.8 |
0.8 |
0.355 |
0 |
0 |
0 |
0.000 |
44 |
|
[IMD]C:302 |
2 |
1 |
196 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12489 |
25.5 |
0.8 |
0.356 |
0 |
0 |
0 |
0.000 |
Average: |
26.0 |
0.8 |
0.355 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[NI]D:300 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13206 |
25.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.138 |
46 |
|
[NI]A:300 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
12921 |
25.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.138 |
47 |
|
[NI]C:300 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
12489 |
25.0 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.138 |
48 |
|
[NI]B:300 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
12528 |
24.8 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.138 |
Average: |
25.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.138 |
34 |
49 |
|
[IMD]A:301 |
3 |
1 |
197 |
f |
[NI]A:300 |
x,y,z |
1_555 |
1 |
1 |
115 |
24.6 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.120 |
50 |
|
[IMD]C:302 |
3 |
1 |
196 |
f |
[NI]C:300 |
x,y,z |
1_555 |
1 |
1 |
115 |
24.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.120 |
51 |
|
[IMD]A:303 |
3 |
1 |
196 |
f |
[NI]B:300 |
x,y,z |
1_555 |
1 |
1 |
115 |
24.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.120 |
52 |
|
[IMD]C:301 |
3 |
1 |
197 |
f |
[NI]D:300 |
x,y,z |
1_555 |
1 |
1 |
115 |
24.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
24.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.120 |
35 |
53 |
|
C |
1 |
1 |
12528 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
13206 |
24.6 |
1.7 |
0.974 |
0 |
0 |
0 |
0.000 |
36 |
54 |
|
[NI]D:300 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
12528 |
8.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
55 |
|
[NI]B:300 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
13206 |
7.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
56 |
|
[NI]C:300 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
12921 |
6.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
57 |
|
[NI]A:300 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
12489 |
5.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
7.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.014 |
|