## |
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 |
171 |
52 |
33620 |
◊ |
A |
x,y,z |
1_555 |
169 |
52 |
33919 |
1595.0 |
-14.3 |
0.158 |
22 |
5 |
0 |
0.223 |
2 |
2 |
|
F |
108 |
12 |
3012 |
◊ |
A |
x,y,z |
1_555 |
112 |
37 |
33919 |
907.6 |
-9.6 |
0.666 |
14 |
0 |
0 |
0.256 |
3 |
|
D |
108 |
12 |
3013 |
◊ |
B |
x,y,z |
1_555 |
105 |
34 |
33620 |
884.1 |
-9.4 |
0.676 |
16 |
0 |
0 |
0.256 |
Average: |
895.9 |
-9.5 |
0.671 |
15 |
0 |
0 |
0.256 |
3 |
4 |
|
E |
76 |
7 |
2035 |
◊ |
B |
x,y,z |
1_555 |
99 |
32 |
33620 |
714.9 |
-6.1 |
0.536 |
12 |
0 |
0 |
0.221 |
5 |
|
C |
75 |
7 |
2009 |
◊ |
A |
x,y,z |
1_555 |
98 |
33 |
33919 |
710.2 |
-7.5 |
0.511 |
14 |
0 |
0 |
0.221 |
Average: |
712.5 |
-6.8 |
0.524 |
13 |
0 |
0 |
0.221 |
4 |
6 |
|
F |
38 |
8 |
3012 |
◊ |
C |
x,y,z |
1_555 |
33 |
8 |
2009 |
350.5 |
-7.3 |
0.473 |
22 |
0 |
0 |
0.778 |
7 |
|
D |
38 |
8 |
3013 |
◊ |
E |
x,y,z |
1_555 |
34 |
8 |
2035 |
345.3 |
-7.3 |
0.461 |
22 |
0 |
0 |
0.778 |
Average: |
347.9 |
-7.3 |
0.467 |
22 |
0 |
0 |
0.778 |
5 |
8 |
|
A |
45 |
12 |
33919 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
42 |
11 |
33620 |
337.3 |
-1.6 |
0.479 |
7 |
0 |
0 |
0.000 |
6 |
9 |
|
B |
27 |
11 |
33620 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
12 |
33620 |
300.3 |
1.8 |
0.775 |
3 |
1 |
0 |
0.000 |
7 |
10 |
|
[N2W]A:1302 |
37 |
1 |
787 |
f |
[N2S]A:1301 |
x,y,z |
1_555 |
38 |
1 |
787 |
269.8 |
-12.4 |
0.810 |
0 |
0 |
0 |
0.223 |
11 |
|
[N2W]B:1302 |
36 |
1 |
794 |
f |
[N2S]B:1301 |
x,y,z |
1_555 |
39 |
1 |
786 |
268.5 |
-12.3 |
0.807 |
0 |
0 |
0 |
0.223 |
Average: |
269.2 |
-12.4 |
0.808 |
0 |
0 |
0 |
0.223 |
8 |
12 |
|
A |
28 |
11 |
33919 |
x |
A |
x-1,y,z |
1_455 |
27 |
11 |
33919 |
254.6 |
3.4 |
0.894 |
4 |
5 |
0 |
0.000 |
13 |
|
B |
29 |
12 |
33620 |
x |
B |
x-1,y,z |
1_455 |
24 |
8 |
33620 |
249.3 |
0.5 |
0.681 |
3 |
4 |
0 |
0.000 |
Average: |
252.0 |
1.9 |
0.787 |
4 |
5 |
0 |
0.000 |
9 |
14 |
|
[N2W]B:1302 |
26 |
1 |
794 |
f |
B |
x,y,z |
1_555 |
36 |
12 |
33620 |
233.2 |
-9.1 |
0.338 |
2 |
0 |
0 |
0.167 |
15 |
|
[N2W]A:1302 |
28 |
1 |
787 |
f |
A |
x,y,z |
1_555 |
33 |
11 |
33919 |
227.9 |
-7.7 |
0.475 |
2 |
0 |
0 |
0.167 |
Average: |
230.6 |
-8.4 |
0.406 |
2 |
0 |
0 |
0.167 |
10 |
16 |
|
B |
23 |
7 |
33620 |
◊ |
A |
x,y,z-1 |
1_554 |
29 |
11 |
33919 |
220.8 |
0.9 |
0.690 |
4 |
2 |
0 |
0.000 |
11 |
17 |
|
[N2S]B:1301 |
27 |
1 |
786 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
33620 |
217.3 |
-8.0 |
0.338 |
2 |
0 |
0 |
0.151 |
18 |
|
[N2S]A:1301 |
27 |
1 |
787 |
f |
A |
x,y,z |
1_555 |
33 |
11 |
33919 |
215.5 |
-7.1 |
0.472 |
2 |
0 |
0 |
0.151 |
Average: |
216.4 |
-7.5 |
0.405 |
2 |
0 |
0 |
0.151 |
12 |
19 |
|
F |
18 |
4 |
3012 |
◊ |
D |
x,y,z |
1_555 |
18 |
4 |
3013 |
165.8 |
-0.9 |
0.643 |
10 |
0 |
0 |
0.033 |
13 |
20 |
|
F |
19 |
3 |
3012 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
33620 |
156.1 |
-2.5 |
0.489 |
1 |
0 |
0 |
0.032 |
21 |
|
D |
18 |
3 |
3013 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
33919 |
155.0 |
-1.3 |
0.601 |
2 |
0 |
0 |
0.032 |
Average: |
155.6 |
-1.9 |
0.545 |
2 |
0 |
0 |
0.032 |
14 |
22 |
|
[N2W]B:1302 |
19 |
1 |
794 |
◊ |
D |
x,y,z |
1_555 |
27 |
3 |
3013 |
155.1 |
0.8 |
0.907 |
2 |
0 |
0 |
0.003 |
23 |
|
[N2W]A:1302 |
23 |
1 |
787 |
◊ |
F |
x,y,z |
1_555 |
27 |
3 |
3012 |
152.3 |
0.7 |
0.913 |
2 |
0 |
0 |
0.003 |
Average: |
153.7 |
0.7 |
0.910 |
2 |
0 |
0 |
0.003 |
15 |
24 |
|
[N2S]B:1301 |
20 |
1 |
786 |
◊ |
D |
x,y,z |
1_555 |
27 |
3 |
3013 |
150.4 |
0.9 |
0.908 |
2 |
0 |
0 |
0.001 |
25 |
|
[N2S]A:1301 |
22 |
1 |
787 |
◊ |
F |
x,y,z |
1_555 |
27 |
3 |
3012 |
145.7 |
0.8 |
0.912 |
2 |
0 |
0 |
0.001 |
Average: |
148.1 |
0.9 |
0.910 |
2 |
0 |
0 |
0.001 |
16 |
26 |
|
[N2W]A:1302 |
20 |
1 |
787 |
◊ |
D |
x,y,z |
1_555 |
23 |
2 |
3013 |
109.8 |
-0.0 |
0.883 |
0 |
0 |
0 |
0.001 |
27 |
|
[N2W]B:1302 |
18 |
1 |
794 |
◊ |
F |
x,y,z |
1_555 |
21 |
2 |
3012 |
109.3 |
-0.2 |
0.862 |
0 |
0 |
0 |
0.001 |
Average: |
109.5 |
-0.1 |
0.872 |
0 |
0 |
0 |
0.001 |
17 |
28 |
|
[N2S]A:1301 |
20 |
1 |
787 |
◊ |
D |
x,y,z |
1_555 |
23 |
2 |
3013 |
104.4 |
0.0 |
0.874 |
0 |
0 |
0 |
0.000 |
29 |
|
[N2S]B:1301 |
20 |
1 |
786 |
◊ |
F |
x,y,z |
1_555 |
21 |
2 |
3012 |
103.3 |
-0.0 |
0.872 |
0 |
0 |
0 |
0.000 |
Average: |
103.9 |
0.0 |
0.873 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
D |
14 |
1 |
3013 |
◊ |
A |
x,y,z-1 |
1_554 |
12 |
3 |
33919 |
96.3 |
0.2 |
0.513 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[N2W]A:1302 |
15 |
1 |
787 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
2009 |
77.8 |
-1.0 |
0.767 |
0 |
0 |
0 |
0.016 |
32 |
|
[N2W]B:1302 |
14 |
1 |
794 |
◊ |
E |
x,y,z |
1_555 |
11 |
2 |
2035 |
74.2 |
-0.8 |
0.767 |
0 |
0 |
0 |
0.016 |
Average: |
76.0 |
-0.9 |
0.767 |
0 |
0 |
0 |
0.016 |
20 |
33 |
|
[N2S]A:1301 |
14 |
1 |
787 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
2009 |
74.3 |
-0.5 |
0.784 |
0 |
0 |
0 |
0.008 |
34 |
|
[N2S]B:1301 |
12 |
1 |
786 |
◊ |
E |
x,y,z |
1_555 |
12 |
2 |
2035 |
72.5 |
-0.4 |
0.755 |
0 |
0 |
0 |
0.008 |
Average: |
73.4 |
-0.4 |
0.770 |
0 |
0 |
0 |
0.008 |
21 |
35 |
|
[MG]B:1303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
33620 |
68.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.127 |
36 |
|
[MG]A:1304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
33919 |
64.6 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.127 |
Average: |
66.3 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.127 |
22 |
37 |
|
[MG]B:1304 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
33620 |
47.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.108 |
38 |
|
[MG]A:1303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
4 |
33919 |
45.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
46.3 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.108 |
23 |
39 |
|
[MG]F:101 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
3012 |
30.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.179 |
40 |
|
[MG]E:101 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
3013 |
22.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.179 |
Average: |
26.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.179 |
24 |
41 |
|
[MG]A:1303 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
2009 |
21.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.049 |
42 |
|
[MG]B:1304 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
2035 |
16.5 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
19.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.049 |
25 |
43 |
|
[MG]E:101 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
2035 |
21.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.121 |
44 |
|
[MG]F:101 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
2009 |
10.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.121 |
Average: |
15.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.121 |
26 |
45 |
|
[MG]B:1303 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
2035 |
15.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.038 |
46 |
|
[MG]A:1304 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2009 |
12.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
14.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
27 |
47 |
|
B |
3 |
2 |
33620 |
◊ |
A |
x-1,y,z-1 |
1_454 |
4 |
2 |
33919 |
10.2 |
-0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
28 |
48 |
|
E |
4 |
1 |
2035 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
33919 |
9.7 |
-0.0 |
0.344 |
0 |
0 |
0 |
0.000 |
29 |
49 |
|
[MG]F:101 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
33919 |
4.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
50 |
|
[MG]E:101 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
33620 |
2.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
3.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
|