## |
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 |
200 |
57 |
27109 |
◊ |
A |
x,y,z |
1_555 |
198 |
54 |
27160 |
1927.7 |
-13.2 |
0.448 |
26 |
22 |
0 |
0.107 |
2 |
2 |
|
A |
53 |
12 |
27160 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
51 |
14 |
27160 |
423.4 |
-1.4 |
0.657 |
6 |
4 |
0 |
0.000 |
3 |
3 |
|
B |
42 |
15 |
27109 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
43 |
16 |
27160 |
408.2 |
0.6 |
0.847 |
6 |
3 |
0 |
0.000 |
4 |
4 |
|
[MAL]B:701 |
23 |
1 |
458 |
f |
B |
x,y,z |
1_555 |
52 |
16 |
27109 |
317.9 |
1.8 |
0.609 |
7 |
0 |
0 |
0.005 |
5 |
|
[MAL]A:701 |
23 |
1 |
460 |
f |
A |
x,y,z |
1_555 |
50 |
16 |
27160 |
310.1 |
1.8 |
0.581 |
4 |
0 |
0 |
0.005 |
Average: |
314.0 |
1.8 |
0.595 |
6 |
0 |
0 |
0.005 |
5 |
6 |
|
B |
33 |
9 |
27109 |
x |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
29 |
10 |
27109 |
261.5 |
-0.7 |
0.693 |
1 |
0 |
0 |
0.000 |
6 |
7 |
|
B |
20 |
8 |
27109 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
11 |
27160 |
241.7 |
-2.0 |
0.206 |
2 |
0 |
0 |
0.000 |
7 |
8 |
|
[PG4]A:720 |
13 |
1 |
411 |
f |
A |
x,y,z |
1_555 |
35 |
14 |
27160 |
241.4 |
6.3 |
0.462 |
3 |
0 |
0 |
0.000 |
8 |
9 |
|
[1PE]A:716 |
16 |
1 |
422 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
29 |
10 |
27160 |
209.0 |
-1.8 |
0.519 |
4 |
0 |
0 |
0.000 |
9 |
10 |
|
[PGE]A:717 |
10 |
1 |
335 |
◊ |
A |
x,y,z |
1_555 |
33 |
11 |
27160 |
185.8 |
5.3 |
0.406 |
2 |
0 |
0 |
0.000 |
10 |
11 |
|
[PG4]A:718 |
13 |
1 |
415 |
f |
A |
x,y,z |
1_555 |
33 |
10 |
27160 |
184.8 |
1.7 |
0.208 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[1PE]B:714 |
14 |
1 |
483 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
27109 |
157.9 |
1.2 |
0.803 |
3 |
0 |
0 |
0.000 |
12 |
13 |
|
[PG4]A:719 |
10 |
1 |
410 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
27160 |
147.5 |
6.2 |
0.559 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
[1PE]B:714 |
15 |
1 |
483 |
f |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
16 |
4 |
27160 |
135.4 |
-0.7 |
0.646 |
2 |
0 |
0 |
0.006 |
14 |
15 |
|
[PGE]B:713 |
9 |
1 |
330 |
◊ |
B |
x,y,z |
1_555 |
25 |
6 |
27109 |
134.1 |
3.4 |
0.288 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[PGE]B:713 |
10 |
1 |
330 |
f |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
23 |
6 |
27160 |
133.0 |
2.5 |
0.162 |
2 |
0 |
0 |
0.000 |
16 |
17 |
|
B |
14 |
4 |
27109 |
f |
[PG4]A:719 |
-x+3/2,-y+1,z-1/2 |
2_664 |
13 |
1 |
410 |
126.6 |
2.5 |
0.234 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[PEG]B:715 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
27109 |
125.3 |
3.6 |
0.394 |
4 |
0 |
0 |
0.000 |
18 |
19 |
|
[EDO]A:731 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
27160 |
123.4 |
4.1 |
0.726 |
2 |
0 |
0 |
0.000 |
19 |
20 |
|
[PEG]A:722 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
17 |
8 |
27160 |
122.5 |
2.9 |
0.347 |
2 |
0 |
0 |
0.000 |
20 |
21 |
|
A |
11 |
3 |
27160 |
x |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
12 |
4 |
27160 |
114.6 |
0.6 |
0.775 |
3 |
4 |
0 |
0.000 |
21 |
22 |
|
[EDO]B:717 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
27109 |
114.5 |
5.2 |
0.831 |
2 |
0 |
0 |
0.000 |
22 |
23 |
|
[EDO]B:718 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
27109 |
112.7 |
2.9 |
0.463 |
4 |
0 |
0 |
0.000 |
23 |
24 |
|
[PEG]A:723 |
7 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
27160 |
112.6 |
2.0 |
0.287 |
0 |
0 |
0 |
0.000 |
24 |
25 |
|
[EDO]A:730 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
27160 |
110.3 |
3.5 |
0.533 |
2 |
0 |
0 |
0.000 |
25 |
26 |
|
[EDO]A:729 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
27160 |
108.5 |
3.2 |
0.500 |
2 |
0 |
0 |
0.000 |
26 |
27 |
|
[PO4]B:702 |
5 |
1 |
193 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
27109 |
105.8 |
-8.8 |
0.478 |
6 |
0 |
0 |
0.043 |
27 |
28 |
|
[PO4]A:702 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
27160 |
105.6 |
-8.5 |
0.491 |
6 |
0 |
0 |
0.042 |
28 |
29 |
|
[PEG]A:721 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
27160 |
102.6 |
2.9 |
0.301 |
0 |
0 |
0 |
0.000 |
29 |
30 |
|
[EDO]A:727 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
27160 |
102.0 |
3.2 |
0.534 |
3 |
0 |
0 |
0.000 |
30 |
31 |
|
[EDO]B:716 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
27109 |
96.8 |
2.9 |
0.319 |
3 |
0 |
0 |
0.000 |
31 |
32 |
|
[1PE]A:716 |
9 |
1 |
422 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
27160 |
96.8 |
-0.7 |
0.592 |
0 |
0 |
0 |
0.003 |
32 |
33 |
|
[PO4]B:703 |
5 |
1 |
192 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
27109 |
94.4 |
-5.2 |
0.898 |
6 |
0 |
0 |
0.030 |
33 |
34 |
|
[EDO]A:725 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
27160 |
88.8 |
1.9 |
0.249 |
0 |
0 |
0 |
0.000 |
34 |
35 |
|
A |
14 |
5 |
27160 |
◊ |
[PEG]A:721 |
-x+2,y-1/2,-z+1/2 |
3_745 |
7 |
1 |
258 |
85.6 |
1.9 |
0.251 |
1 |
0 |
0 |
0.000 |
35 |
36 |
|
[NA]A:709 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
27160 |
80.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.046 |
36 |
37 |
|
[EDO]A:728 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
27160 |
80.6 |
1.7 |
0.241 |
4 |
0 |
0 |
0.000 |
37 |
38 |
|
[PO4]A:703 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
27160 |
80.2 |
-4.8 |
0.864 |
3 |
0 |
0 |
0.023 |
38 |
39 |
|
[CL]A:715 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
27160 |
77.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.042 |
39 |
40 |
|
[EDO]A:726 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
27109 |
77.7 |
1.6 |
0.258 |
1 |
0 |
0 |
0.000 |
40 |
41 |
|
[EDO]A:724 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
27160 |
76.1 |
2.2 |
0.300 |
0 |
0 |
0 |
0.000 |
41 |
42 |
|
[NA]A:712 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
27160 |
74.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.039 |
42 |
43 |
|
[NA]B:711 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
27109 |
72.8 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.045 |
43 |
44 |
|
[NA]B:704 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
27109 |
68.8 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.095 |
45 |
|
[NA]A:705 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
27160 |
67.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.095 |
Average: |
68.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.095 |
44 |
46 |
|
[NA]A:707 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
27160 |
67.4 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.041 |
45 |
47 |
|
[CL]B:712 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
27109 |
66.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.047 |
46 |
48 |
|
[NA]B:710 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
27109 |
64.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.047 |
47 |
49 |
|
[NA]B:707 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
27109 |
64.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.093 |
50 |
|
[NA]A:710 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
27160 |
64.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
64.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.093 |
48 |
51 |
|
[PEG]B:715 |
5 |
1 |
255 |
◊ |
A |
-x+3/2,-y+1,z-1/2 |
2_664 |
6 |
2 |
27160 |
64.3 |
2.3 |
0.345 |
0 |
0 |
0 |
0.000 |
49 |
52 |
|
[NA]B:705 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
27109 |
63.4 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.039 |
50 |
53 |
|
[NA]A:706 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
27160 |
62.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.047 |
51 |
54 |
|
[NA]A:708 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
27160 |
60.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.032 |
52 |
55 |
|
[NA]A:714 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
27160 |
58.7 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.036 |
53 |
56 |
|
[NA]B:706 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
27109 |
57.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.032 |
54 |
57 |
|
[NA]A:711 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
27160 |
55.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.035 |
55 |
58 |
|
[NA]A:704 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
27160 |
52.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.031 |
56 |
59 |
|
[NA]B:708 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
27109 |
50.6 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.029 |
57 |
60 |
|
[1PE]A:716 |
15 |
1 |
422 |
f |
[NA]A:713 |
x,y,z |
1_555 |
1 |
1 |
125 |
49.2 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.029 |
58 |
61 |
|
[PEG]B:715 |
4 |
1 |
255 |
◊ |
[1PE]B:714 |
x,y,z |
1_555 |
6 |
1 |
483 |
45.7 |
1.9 |
0.385 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[PEG]A:722 |
3 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
5 |
1 |
27109 |
42.0 |
1.5 |
0.472 |
0 |
0 |
0 |
0.000 |
60 |
63 |
|
[EDO]A:726 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
27160 |
41.0 |
1.4 |
0.834 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
[EDO]A:724 |
4 |
1 |
184 |
f |
[PEG]A:723 |
x,y,z |
1_555 |
4 |
1 |
260 |
39.4 |
2.1 |
0.426 |
0 |
0 |
0 |
0.000 |
62 |
65 |
|
A |
7 |
2 |
27160 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
6 |
2 |
27109 |
39.0 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
63 |
66 |
|
[NA]A:711 |
1 |
1 |
125 |
f |
[MAL]A:701 |
x,y,z |
1_555 |
3 |
1 |
460 |
32.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.016 |
64 |
67 |
|
[EDO]A:729 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
27109 |
29.4 |
0.4 |
0.787 |
1 |
0 |
0 |
0.000 |
65 |
68 |
|
A |
6 |
2 |
27160 |
◊ |
[NA]A:704 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
125 |
29.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
69 |
|
[NA]B:706 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
27160 |
28.0 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.009 |
67 |
70 |
|
[NA]A:713 |
1 |
1 |
125 |
◊ |
A |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
3 |
27160 |
26.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
71 |
|
[NA]A:714 |
1 |
1 |
125 |
f |
[NA]A:708 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.018 |
69 |
72 |
|
[NA]B:705 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
27160 |
22.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.009 |
70 |
73 |
|
[EDO]A:726 |
3 |
1 |
184 |
f |
[NA]B:708 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
71 |
74 |
|
[PEG]A:723 |
3 |
1 |
260 |
f |
[PO4]A:703 |
x,y,z |
1_555 |
1 |
1 |
190 |
22.4 |
-1.3 |
0.273 |
1 |
0 |
0 |
0.007 |
72 |
75 |
|
[NA]B:708 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
27160 |
21.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
73 |
76 |
|
[PG4]A:719 |
3 |
1 |
410 |
◊ |
[NA]A:708 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
77 |
|
[CL]A:715 |
1 |
1 |
125 |
f |
[NA]A:712 |
x,y,z |
1_555 |
1 |
1 |
125 |
19.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.015 |
75 |
78 |
|
[NA]A:713 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
27160 |
17.3 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.006 |
76 |
79 |
|
[NA]A:704 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
27109 |
10.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.004 |
77 |
80 |
|
[NA]B:708 |
1 |
1 |
125 |
f |
[NA]B:706 |
x,y,z |
1_555 |
1 |
1 |
125 |
10.4 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.008 |
78 |
81 |
|
[1PE]B:714 |
1 |
1 |
483 |
◊ |
[PG4]A:719 |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
410 |
6.9 |
0.1 |
0.317 |
0 |
0 |
0 |
0.000 |
79 |
82 |
|
[PG4]A:719 |
2 |
1 |
410 |
◊ |
[NA]A:714 |
x,y,z |
1_555 |
1 |
1 |
125 |
6.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
80 |
83 |
|
[PO4]B:703 |
3 |
1 |
192 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
27160 |
5.1 |
-0.3 |
0.526 |
0 |
0 |
0 |
0.001 |
81 |
84 |
|
[PGE]A:717 |
1 |
1 |
335 |
f |
[PEG]A:721 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
258 |
3.7 |
0.1 |
0.169 |
0 |
0 |
0 |
0.000 |
82 |
85 |
|
[PO4]A:703 |
1 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
27109 |
1.1 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
|