## |
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 |
107 |
36 |
11730 |
◊ |
C |
x,y,z |
1_555 |
106 |
35 |
11893 |
1029.2 |
2.0 |
0.886 |
22 |
7 |
0 |
0.000 |
2 |
|
B |
105 |
35 |
11932 |
◊ |
A |
x,y,z |
1_555 |
104 |
35 |
12076 |
984.8 |
1.1 |
0.812 |
21 |
7 |
0 |
0.000 |
Average: |
1007.0 |
1.5 |
0.849 |
22 |
7 |
0 |
0.000 |
2 |
3 |
|
D |
47 |
15 |
11730 |
◊ |
B |
x,y,z |
1_555 |
41 |
15 |
11932 |
443.6 |
-4.9 |
0.220 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
41 |
12 |
11932 |
◊ |
A |
x-1,y,z |
1_455 |
45 |
14 |
12076 |
400.4 |
2.5 |
0.857 |
8 |
0 |
0 |
0.000 |
5 |
|
D |
29 |
11 |
11730 |
◊ |
C |
x-1,y,z |
1_455 |
32 |
10 |
11893 |
299.3 |
2.8 |
0.896 |
9 |
0 |
0 |
0.000 |
Average: |
349.9 |
2.6 |
0.877 |
9 |
0 |
0 |
0.000 |
4 |
6 |
|
D |
29 |
11 |
11730 |
◊ |
B |
x,y,z-1 |
1_554 |
28 |
10 |
11932 |
295.9 |
-1.3 |
0.502 |
2 |
0 |
0 |
0.000 |
7 |
|
C |
28 |
13 |
11893 |
◊ |
A |
x,y,z-1 |
1_554 |
28 |
11 |
12076 |
269.5 |
-2.2 |
0.389 |
1 |
0 |
0 |
0.000 |
Average: |
282.7 |
-1.7 |
0.446 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
C |
29 |
9 |
11893 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
35 |
14 |
11730 |
276.1 |
-0.1 |
0.670 |
2 |
0 |
0 |
0.000 |
9 |
|
A |
27 |
8 |
12076 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
33 |
13 |
11932 |
261.4 |
0.0 |
0.641 |
4 |
1 |
0 |
0.000 |
Average: |
268.8 |
-0.0 |
0.655 |
3 |
1 |
0 |
0.000 |
6 |
10 |
|
B |
31 |
10 |
11932 |
◊ |
C |
x-1,y,z |
1_455 |
35 |
12 |
11893 |
271.2 |
-0.9 |
0.557 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[3TV]A:302 |
18 |
1 |
423 |
f |
A |
x,y,z |
1_555 |
39 |
17 |
12076 |
269.5 |
-1.3 |
0.295 |
3 |
0 |
0 |
0.007 |
8 |
12 |
|
[3TV]C:302 |
18 |
1 |
418 |
f |
C |
x,y,z |
1_555 |
39 |
19 |
11893 |
267.0 |
-1.0 |
0.383 |
4 |
0 |
0 |
0.007 |
9 |
13 |
|
[3TV]B:302 |
18 |
1 |
425 |
f |
B |
x,y,z |
1_555 |
36 |
17 |
11932 |
251.6 |
-1.2 |
0.327 |
12 |
0 |
0 |
0.015 |
10 |
14 |
|
D |
25 |
8 |
11730 |
◊ |
A |
x-1,y,z-1 |
1_454 |
29 |
11 |
12076 |
244.2 |
-1.4 |
0.476 |
1 |
0 |
0 |
0.000 |
11 |
15 |
|
[3TV]D:302 |
18 |
1 |
429 |
f |
D |
x,y,z |
1_555 |
35 |
17 |
11730 |
239.6 |
-0.6 |
0.279 |
3 |
0 |
0 |
0.005 |
12 |
16 |
|
C |
29 |
12 |
11893 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
12076 |
222.3 |
-1.5 |
0.466 |
1 |
0 |
0 |
0.000 |
13 |
17 |
|
D |
23 |
8 |
11730 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
24 |
8 |
11730 |
194.0 |
-0.3 |
0.605 |
2 |
2 |
0 |
0.000 |
18 |
|
B |
25 |
8 |
11932 |
x |
B |
-x,y-1/2,-z |
2_545 |
23 |
7 |
11932 |
186.9 |
-0.8 |
0.527 |
1 |
1 |
0 |
0.000 |
Average: |
190.4 |
-0.6 |
0.566 |
2 |
2 |
0 |
0.000 |
14 |
19 |
|
[CIT]D:304 |
11 |
1 |
317 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
11730 |
140.4 |
0.8 |
0.411 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
B |
18 |
5 |
11932 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
18 |
4 |
12076 |
136.3 |
-0.9 |
0.466 |
2 |
0 |
0 |
0.000 |
21 |
|
D |
18 |
5 |
11730 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
20 |
4 |
11893 |
132.4 |
-1.3 |
0.456 |
2 |
0 |
0 |
0.000 |
Average: |
134.4 |
-1.1 |
0.461 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
B |
12 |
4 |
11932 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
17 |
7 |
11730 |
134.7 |
-0.8 |
0.483 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
[CIT]B:305 |
12 |
1 |
311 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
11932 |
127.1 |
2.4 |
0.523 |
2 |
0 |
0 |
0.000 |
24 |
|
[CIT]D:306 |
11 |
1 |
316 |
f |
D |
x,y,z |
1_555 |
18 |
11 |
11730 |
125.1 |
2.6 |
0.552 |
3 |
0 |
0 |
0.000 |
Average: |
126.1 |
2.5 |
0.537 |
3 |
0 |
0 |
0.000 |
18 |
25 |
|
[PEG]D:303 |
7 |
1 |
256 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
11730 |
115.0 |
1.5 |
0.191 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[EDO]B:303 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
11932 |
107.2 |
4.0 |
0.528 |
4 |
0 |
0 |
0.000 |
20 |
27 |
|
[EDO]A:309 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
12076 |
101.3 |
3.5 |
0.481 |
2 |
0 |
0 |
0.000 |
21 |
28 |
|
[PEG]A:306 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
12076 |
95.7 |
0.8 |
0.159 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[PEG]B:304 |
6 |
1 |
258 |
f |
A |
-x,y-1/2,-z |
2_545 |
12 |
4 |
12076 |
95.0 |
1.2 |
0.239 |
2 |
0 |
0 |
0.000 |
23 |
30 |
|
D |
8 |
3 |
11730 |
f |
[PEG]C:304 |
-x,y-1/2,-z-1 |
2_544 |
7 |
1 |
260 |
93.1 |
1.6 |
0.148 |
0 |
0 |
0 |
0.000 |
24 |
31 |
|
[EDO]A:305 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
12076 |
93.0 |
2.1 |
0.251 |
2 |
0 |
0 |
0.000 |
25 |
32 |
|
[PEG]C:304 |
6 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11893 |
92.6 |
1.9 |
0.263 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[EDO]A:304 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
12076 |
90.5 |
1.9 |
0.217 |
2 |
0 |
0 |
0.000 |
27 |
34 |
|
[PEG]B:304 |
7 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
11932 |
90.3 |
0.8 |
0.150 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[EDO]C:305 |
4 |
1 |
180 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
11893 |
87.6 |
2.0 |
0.223 |
1 |
0 |
0 |
0.000 |
29 |
36 |
|
[EDO]A:303 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
12076 |
87.0 |
2.2 |
0.291 |
4 |
0 |
0 |
0.000 |
37 |
|
[EDO]C:303 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
17 |
9 |
11893 |
86.1 |
2.1 |
0.295 |
4 |
0 |
0 |
0.000 |
Average: |
86.5 |
2.1 |
0.293 |
4 |
0 |
0 |
0.000 |
30 |
38 |
|
[EDO]A:308 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
12076 |
85.9 |
2.6 |
0.302 |
1 |
0 |
0 |
0.000 |
31 |
39 |
|
[EDO]A:310 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
12076 |
81.4 |
1.8 |
0.234 |
1 |
0 |
0 |
0.000 |
32 |
40 |
|
[EDO]D:307 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
11730 |
81.4 |
1.9 |
0.258 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[CIT]D:306 |
8 |
1 |
316 |
f |
[3TV]D:302 |
x,y,z |
1_555 |
6 |
1 |
429 |
75.2 |
-0.9 |
0.227 |
1 |
0 |
0 |
0.003 |
34 |
42 |
|
[EDO]A:307 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
12076 |
72.8 |
1.9 |
0.246 |
1 |
0 |
0 |
0.000 |
35 |
43 |
|
[EDO]D:305 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
9 |
3 |
11730 |
62.7 |
1.3 |
0.732 |
1 |
0 |
0 |
0.000 |
36 |
44 |
|
[CIT]B:305 |
7 |
1 |
311 |
f |
[3TV]B:302 |
x,y,z |
1_555 |
7 |
1 |
425 |
61.0 |
-0.4 |
0.286 |
1 |
0 |
0 |
0.002 |
37 |
45 |
|
[EDO]A:307 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
11932 |
60.4 |
1.8 |
0.844 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
D |
6 |
2 |
11730 |
◊ |
[EDO]D:305 |
-x,y-1/2,-z-1 |
2_544 |
4 |
1 |
186 |
58.6 |
1.4 |
0.721 |
0 |
0 |
0 |
0.000 |
39 |
47 |
|
B |
8 |
3 |
11932 |
f |
[EDO]A:309 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
44.6 |
0.9 |
0.884 |
2 |
0 |
0 |
0.000 |
40 |
48 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
11932 |
36.6 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.071 |
49 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
11893 |
35.8 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.071 |
50 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
11730 |
35.5 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.071 |
51 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
12076 |
35.5 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
35.8 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.071 |
41 |
52 |
|
[3TV]A:302 |
4 |
1 |
423 |
cf |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.038 |
53 |
|
[3TV]D:302 |
4 |
1 |
429 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
31.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.038 |
42 |
54 |
|
[3TV]C:302 |
4 |
1 |
418 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.032 |
43 |
55 |
|
[EDO]D:307 |
2 |
1 |
183 |
f |
A |
x-1,y,z-1 |
1_454 |
2 |
1 |
12076 |
30.6 |
0.3 |
0.323 |
0 |
0 |
0 |
0.000 |
44 |
56 |
|
[3TV]B:302 |
4 |
1 |
425 |
f |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.029 |
45 |
57 |
|
[EDO]C:305 |
2 |
1 |
180 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12076 |
24.1 |
0.6 |
0.891 |
1 |
0 |
0 |
0.000 |
46 |
58 |
|
C |
4 |
1 |
11893 |
◊ |
[CIT]D:304 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
317 |
22.2 |
0.4 |
0.340 |
0 |
0 |
0 |
0.000 |
47 |
59 |
|
[CIT]D:306 |
3 |
1 |
316 |
◊ |
[PEG]D:303 |
x,y,z |
1_555 |
3 |
1 |
256 |
17.4 |
0.8 |
0.221 |
0 |
0 |
0 |
0.000 |
48 |
60 |
|
C |
4 |
3 |
11893 |
f |
[PEG]D:303 |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
256 |
12.5 |
0.2 |
0.327 |
0 |
0 |
0 |
0.000 |
49 |
61 |
|
[CIT]D:304 |
4 |
1 |
317 |
f |
[3TV]D:302 |
x,y,z |
1_555 |
2 |
1 |
429 |
10.4 |
-0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
50 |
62 |
|
C |
3 |
1 |
11893 |
◊ |
[CIT]D:306 |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
316 |
9.4 |
-0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
51 |
63 |
|
[PEG]A:306 |
1 |
1 |
260 |
f |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
11893 |
8.1 |
0.4 |
0.450 |
0 |
0 |
0 |
0.000 |
52 |
64 |
|
A |
2 |
1 |
12076 |
◊ |
[CIT]B:305 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
311 |
5.1 |
-0.0 |
0.274 |
0 |
0 |
0 |
0.000 |
53 |
65 |
|
D |
1 |
1 |
11730 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12076 |
3.9 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
54 |
66 |
|
[EDO]A:310 |
2 |
1 |
187 |
f |
[EDO]A:305 |
x,y,z |
1_555 |
1 |
1 |
186 |
2.2 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
67 |
|
C |
2 |
2 |
11893 |
f |
[EDO]A:310 |
x,y,z-1 |
1_554 |
2 |
1 |
187 |
1.7 |
-0.0 |
0.743 |
0 |
0 |
0 |
0.000 |
|