## |
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 |
|
A |
75 |
20 |
5116 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
76 |
20 |
5116 |
692.4 |
-10.4 |
0.222 |
8 |
0 |
0 |
1.000 |
2 |
|
E |
80 |
21 |
5365 |
◊ |
D |
x,y,z |
1_555 |
80 |
21 |
5011 |
680.5 |
-9.9 |
0.233 |
7 |
0 |
0 |
1.000 |
3 |
|
C |
78 |
21 |
5034 |
◊ |
B |
x,y,z |
1_555 |
78 |
21 |
5109 |
674.3 |
-8.9 |
0.254 |
7 |
0 |
0 |
1.000 |
Average: |
682.4 |
-9.7 |
0.236 |
7 |
0 |
0 |
1.000 |
2 |
4 |
|
B |
72 |
18 |
5109 |
◊ |
A |
x,y,z |
1_555 |
72 |
20 |
5116 |
655.1 |
-2.2 |
0.634 |
11 |
4 |
0 |
0.000 |
5 |
|
C |
65 |
19 |
5034 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
59 |
16 |
5116 |
555.3 |
-1.3 |
0.716 |
9 |
5 |
0 |
0.000 |
6 |
|
E |
62 |
17 |
5365 |
◊ |
D |
-x+y,y,-z+1 |
11_556 |
55 |
14 |
5011 |
548.5 |
-0.4 |
0.746 |
11 |
7 |
0 |
0.000 |
7 |
|
D |
56 |
16 |
5011 |
◊ |
C |
x,y,z |
1_555 |
54 |
15 |
5034 |
505.5 |
-1.1 |
0.699 |
10 |
6 |
0 |
0.000 |
8 |
|
E |
50 |
13 |
5365 |
◊ |
B |
x,y,z |
1_555 |
56 |
16 |
5109 |
468.3 |
-1.6 |
0.626 |
10 |
4 |
0 |
0.000 |
Average: |
546.5 |
-1.3 |
0.684 |
10 |
5 |
0 |
0.000 |
3 |
9 |
|
E |
66 |
18 |
5365 |
◊ |
E |
-x+y,y,-z+1 |
11_556 |
67 |
18 |
5365 |
630.9 |
-6.2 |
0.389 |
12 |
0 |
0 |
1.000 |
10 |
|
C |
64 |
15 |
5034 |
◊ |
A |
x,y,z |
1_555 |
62 |
16 |
5116 |
500.4 |
-4.3 |
0.524 |
6 |
0 |
0 |
1.000 |
11 |
|
D |
56 |
15 |
5011 |
◊ |
B |
x,y,z |
1_555 |
54 |
16 |
5109 |
486.4 |
-6.3 |
0.320 |
7 |
0 |
0 |
1.000 |
Average: |
539.3 |
-5.6 |
0.411 |
8 |
0 |
0 |
1.000 |
4 |
12 |
|
B |
52 |
14 |
5109 |
◊ |
B |
-y+1,-x+1,-z+5/3 |
10_666 |
52 |
14 |
5109 |
420.3 |
2.7 |
0.892 |
18 |
2 |
0 |
0.000 |
5 |
13 |
|
D |
16 |
3 |
5011 |
◊ |
C |
y,x,-z+2/3 |
7_555 |
18 |
5 |
5034 |
158.5 |
-0.1 |
0.608 |
1 |
2 |
0 |
0.000 |
6 |
14 |
|
[BGC]C:101 |
11 |
1 |
303 |
◊ |
C |
x,y,z |
1_555 |
25 |
9 |
5034 |
150.1 |
1.4 |
0.322 |
2 |
0 |
0 |
0.000 |
7 |
15 |
|
[BGC]A:101 |
10 |
1 |
301 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
5116 |
137.9 |
1.6 |
0.389 |
1 |
0 |
0 |
0.000 |
8 |
16 |
|
[BGC]D:102 |
9 |
1 |
304 |
◊ |
E |
-x+y,y,-z+1 |
11_556 |
19 |
7 |
5365 |
125.0 |
1.4 |
0.354 |
1 |
0 |
0 |
0.000 |
9 |
17 |
|
[GLC]E:101 |
10 |
1 |
299 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
5109 |
123.5 |
2.1 |
0.414 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
[SGN]B:105 |
14 |
1 |
411 |
f |
B |
x,y,z |
1_555 |
20 |
5 |
5109 |
121.6 |
2.1 |
0.321 |
2 |
0 |
0 |
0.000 |
11 |
19 |
|
[BGC]A:104 |
10 |
1 |
301 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
5116 |
118.6 |
1.1 |
0.291 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
[SGN]B:103 |
12 |
1 |
416 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
5109 |
118.5 |
0.8 |
0.303 |
0 |
0 |
0 |
0.000 |
13 |
21 |
|
[BGC]A:102 |
10 |
1 |
304 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
5116 |
117.4 |
1.2 |
0.298 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[BGC]E:102 |
8 |
1 |
299 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
5109 |
104.3 |
0.5 |
0.317 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[BGC]D:102 |
9 |
1 |
304 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
5011 |
103.3 |
0.4 |
0.221 |
2 |
0 |
0 |
0.275 |
16 |
24 |
|
[BGC]D:101 |
7 |
1 |
302 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
5011 |
99.9 |
1.4 |
0.388 |
3 |
0 |
0 |
0.000 |
17 |
25 |
|
[IDS]B:104 |
9 |
1 |
350 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
5109 |
98.6 |
-1.3 |
0.502 |
1 |
0 |
0 |
0.257 |
18 |
26 |
|
[BGC]D:101 |
9 |
1 |
302 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
5109 |
98.4 |
2.6 |
0.510 |
2 |
0 |
0 |
0.000 |
19 |
27 |
|
[IDS]B:106 |
9 |
1 |
367 |
◊ |
B |
-y+1,-x+1,-z+5/3 |
10_666 |
12 |
3 |
5109 |
97.7 |
0.7 |
0.555 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[IDS]B:106 |
11 |
1 |
367 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
5109 |
94.9 |
0.5 |
0.639 |
1 |
0 |
0 |
0.000 |
21 |
29 |
|
[BGC]A:103 |
10 |
1 |
304 |
f |
B |
-y+1,-x+1,-z+5/3 |
10_666 |
12 |
4 |
5109 |
92.5 |
0.9 |
0.235 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[BGC]E:102 |
10 |
1 |
299 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
5365 |
91.7 |
0.6 |
0.202 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[BGC]A:102 |
10 |
1 |
304 |
◊ |
B |
-y+1,-x+1,-z+5/3 |
10_666 |
12 |
5 |
5109 |
89.2 |
1.6 |
0.279 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
C |
9 |
2 |
5034 |
◊ |
C |
y,x,-z+2/3 |
7_555 |
9 |
2 |
5034 |
79.0 |
0.1 |
0.679 |
2 |
0 |
0 |
0.000 |
25 |
33 |
|
B |
11 |
4 |
5109 |
◊ |
A |
-y+1,-x+1,-z+5/3 |
10_666 |
8 |
3 |
5116 |
77.3 |
-0.7 |
0.504 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[BGC]A:103 |
7 |
1 |
304 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
5116 |
76.8 |
1.8 |
0.446 |
2 |
0 |
0 |
0.000 |
27 |
35 |
|
[BGC]B:101 |
7 |
1 |
300 |
◊ |
B |
-y+1,-x+1,-z+5/3 |
10_666 |
9 |
3 |
5109 |
76.1 |
1.6 |
0.391 |
1 |
0 |
0 |
0.000 |
28 |
36 |
|
[IDS]B:106 |
9 |
1 |
367 |
cf |
[SGN]B:105 |
x,y,z |
1_555 |
13 |
1 |
411 |
74.7 |
1.7 |
0.307 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[IDS]B:104 |
8 |
1 |
350 |
cf |
[SGN]B:103 |
x,y,z |
1_555 |
7 |
1 |
416 |
67.6 |
0.2 |
0.335 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[IDS]B:104 |
7 |
1 |
350 |
cf |
[SGN]B:105 |
x,y,z |
1_555 |
8 |
1 |
411 |
64.9 |
1.0 |
0.276 |
0 |
0 |
0 |
0.000 |
31 |
39 |
|
A |
9 |
4 |
5116 |
◊ |
A |
-y+1,-x+1,-z+5/3 |
10_666 |
9 |
4 |
5116 |
64.1 |
0.3 |
0.726 |
0 |
0 |
0 |
0.000 |
32 |
40 |
|
[BGC]B:101 |
7 |
1 |
300 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
5116 |
61.8 |
1.3 |
0.375 |
1 |
0 |
0 |
0.000 |
33 |
41 |
|
[GLC]E:101 |
8 |
1 |
299 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
5365 |
59.1 |
0.1 |
0.174 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[BGC]B:101 |
6 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
5109 |
57.9 |
-0.1 |
0.198 |
0 |
0 |
0 |
0.022 |
35 |
43 |
|
[BGC]D:101 |
5 |
1 |
302 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
5365 |
54.6 |
-0.0 |
0.241 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[IDS]B:106 |
3 |
1 |
367 |
◊ |
[IDS]B:106 |
-y+1,-x+1,-z+5/3 |
10_666 |
3 |
1 |
367 |
54.5 |
1.2 |
0.651 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[BGC]A:102 |
4 |
1 |
304 |
◊ |
A |
-y+1,-x+1,-z+5/3 |
10_666 |
9 |
2 |
5116 |
51.6 |
0.8 |
0.457 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
[CL]B:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
5109 |
50.9 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.663 |
47 |
|
[CL]E:103 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
5011 |
49.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.663 |
48 |
|
[CL]E:103 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
7 |
5 |
5365 |
49.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.663 |
49 |
|
[CL]B:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
5 |
5034 |
48.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.663 |
Average: |
49.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.663 |
39 |
50 |
|
[BGC]C:101 |
9 |
1 |
303 |
◊ |
C |
y,x,-z+2/3 |
7_555 |
6 |
2 |
5034 |
48.9 |
1.8 |
0.317 |
0 |
0 |
0 |
0.000 |
40 |
51 |
|
[BGC]A:101 |
5 |
1 |
301 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
5109 |
45.5 |
1.5 |
0.381 |
1 |
0 |
0 |
0.000 |
41 |
52 |
|
[SGN]B:103 |
4 |
1 |
416 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
5365 |
38.0 |
1.3 |
0.550 |
1 |
0 |
0 |
0.000 |
42 |
53 |
|
[BGC]D:101 |
5 |
1 |
302 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
5034 |
36.1 |
0.0 |
0.226 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[BGC]C:101 |
3 |
1 |
303 |
◊ |
[BGC]C:101 |
y,x,-z+2/3 |
7_555 |
3 |
1 |
303 |
35.4 |
1.0 |
0.354 |
0 |
0 |
0 |
0.000 |
44 |
55 |
|
[SGN]B:105 |
4 |
1 |
411 |
◊ |
B |
-y+1,-x+1,-z+5/3 |
10_666 |
4 |
1 |
5109 |
33.8 |
0.7 |
0.472 |
0 |
0 |
0 |
0.000 |
45 |
56 |
|
A |
4 |
2 |
5116 |
◊ |
A |
y,x,-z+5/3 |
7_556 |
3 |
1 |
5116 |
29.4 |
-0.2 |
0.547 |
1 |
0 |
0 |
0.000 |
46 |
57 |
|
[BGC]A:103 |
4 |
1 |
304 |
◊ |
[BGC]A:102 |
x,y,z |
1_555 |
2 |
1 |
304 |
29.2 |
1.0 |
0.227 |
0 |
0 |
0 |
0.000 |
47 |
58 |
|
E |
2 |
1 |
5365 |
◊ |
B |
-x+y,y,-z+1 |
11_556 |
1 |
1 |
5109 |
28.8 |
-0.9 |
0.114 |
0 |
0 |
0 |
0.000 |
59 |
|
D |
5 |
1 |
5011 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5116 |
28.3 |
-0.7 |
0.382 |
0 |
0 |
0 |
0.000 |
60 |
|
C |
1 |
1 |
5034 |
◊ |
C |
-x+1,-y+1,z |
4_665 |
1 |
1 |
5034 |
4.5 |
0.1 |
0.759 |
0 |
0 |
0 |
0.000 |
Average: |
20.6 |
-0.5 |
0.418 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
[GLC]E:101 |
3 |
1 |
299 |
◊ |
A |
-y+1,-x+1,-z+5/3 |
10_666 |
2 |
1 |
5116 |
28.4 |
0.5 |
0.319 |
0 |
0 |
0 |
0.000 |
49 |
62 |
|
[BGC]C:101 |
3 |
1 |
303 |
f |
D |
y,x,-z+2/3 |
7_555 |
4 |
1 |
5011 |
25.6 |
0.3 |
0.340 |
0 |
0 |
0 |
0.000 |
50 |
63 |
|
[GLC]E:101 |
3 |
1 |
299 |
◊ |
[BGC]A:103 |
-y+1,-x+1,-z+5/3 |
10_666 |
2 |
1 |
304 |
23.4 |
0.7 |
0.295 |
0 |
0 |
0 |
0.000 |
51 |
64 |
|
[BGC]C:101 |
3 |
1 |
303 |
◊ |
A |
-x+1,-y+1,z |
4_665 |
1 |
1 |
5116 |
18.1 |
1.0 |
0.582 |
0 |
0 |
0 |
0.000 |
52 |
65 |
|
[SGN]B:105 |
4 |
1 |
411 |
f |
[BGC]B:101 |
x,y,z |
1_555 |
2 |
1 |
300 |
17.8 |
0.5 |
0.226 |
0 |
0 |
0 |
0.000 |
53 |
66 |
|
[GLC]E:101 |
2 |
1 |
299 |
f |
[BGC]E:102 |
x,y,z |
1_555 |
2 |
1 |
299 |
12.5 |
0.4 |
0.278 |
0 |
0 |
0 |
0.000 |
|