## |
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 |
112 |
35 |
12077 |
◊ |
A |
x,y,z |
1_555 |
112 |
35 |
12278 |
1059.6 |
1.1 |
0.784 |
22 |
6 |
0 |
0.000 |
2 |
|
D |
114 |
35 |
11819 |
◊ |
C |
x,y,z |
1_555 |
105 |
35 |
12257 |
1033.1 |
1.1 |
0.806 |
21 |
7 |
0 |
0.000 |
Average: |
1046.4 |
1.1 |
0.795 |
22 |
7 |
0 |
0.000 |
2 |
3 |
|
D |
47 |
14 |
11819 |
◊ |
B |
x,y,z |
1_555 |
43 |
15 |
12077 |
443.3 |
-5.0 |
0.215 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
B |
43 |
12 |
12077 |
◊ |
A |
x-1,y,z |
1_455 |
49 |
15 |
12278 |
417.8 |
2.7 |
0.857 |
8 |
0 |
0 |
0.000 |
5 |
|
D |
34 |
12 |
11819 |
◊ |
C |
x-1,y,z |
1_455 |
43 |
14 |
12257 |
385.4 |
3.8 |
0.919 |
8 |
0 |
0 |
0.000 |
Average: |
401.6 |
3.2 |
0.888 |
8 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
34 |
13 |
12257 |
◊ |
A |
x,y,z-1 |
1_554 |
37 |
13 |
12278 |
345.4 |
-0.6 |
0.562 |
2 |
0 |
0 |
0.000 |
7 |
|
D |
34 |
12 |
11819 |
◊ |
B |
x,y,z-1 |
1_554 |
31 |
12 |
12077 |
327.0 |
-1.5 |
0.501 |
1 |
0 |
0 |
0.000 |
Average: |
336.2 |
-1.0 |
0.532 |
2 |
0 |
0 |
0.000 |
5 |
8 |
|
B |
32 |
10 |
12077 |
◊ |
C |
x-1,y,z |
1_455 |
34 |
10 |
12257 |
286.0 |
-1.0 |
0.528 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
[V13]D:305 |
19 |
1 |
432 |
f |
D |
x,y,z |
1_555 |
40 |
18 |
11819 |
278.2 |
-1.3 |
0.236 |
6 |
0 |
0 |
0.011 |
10 |
|
[V13]C:302 |
19 |
1 |
441 |
f |
C |
x,y,z |
1_555 |
42 |
19 |
12257 |
276.6 |
-0.8 |
0.215 |
5 |
0 |
0 |
0.011 |
11 |
|
[V13]A:303 |
20 |
1 |
432 |
f |
A |
x,y,z |
1_555 |
38 |
18 |
12278 |
270.5 |
-0.1 |
0.261 |
5 |
0 |
0 |
0.011 |
Average: |
275.1 |
-0.7 |
0.237 |
5 |
0 |
0 |
0.011 |
7 |
12 |
|
C |
30 |
8 |
12257 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
32 |
13 |
11819 |
269.7 |
0.2 |
0.651 |
3 |
1 |
0 |
0.000 |
13 |
|
A |
27 |
8 |
12278 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
32 |
13 |
12077 |
264.1 |
-0.0 |
0.612 |
4 |
1 |
0 |
0.000 |
Average: |
266.9 |
0.1 |
0.631 |
4 |
1 |
0 |
0.000 |
8 |
14 |
|
[V13]B:305 |
19 |
1 |
439 |
f |
B |
x,y,z |
1_555 |
34 |
18 |
12077 |
259.1 |
0.3 |
0.316 |
10 |
0 |
0 |
0.010 |
9 |
15 |
|
C |
29 |
13 |
12257 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
12278 |
252.2 |
-1.2 |
0.463 |
2 |
0 |
0 |
0.000 |
10 |
16 |
|
D |
22 |
8 |
11819 |
◊ |
A |
x-1,y,z-1 |
1_454 |
28 |
9 |
12278 |
236.9 |
-0.6 |
0.535 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
B |
30 |
10 |
12077 |
x |
B |
-x,y-1/2,-z |
2_545 |
26 |
8 |
12077 |
233.3 |
-1.0 |
0.534 |
2 |
1 |
0 |
0.000 |
18 |
|
D |
24 |
8 |
11819 |
x |
D |
-x,y-1/2,-z-1 |
2_544 |
23 |
7 |
11819 |
198.6 |
-1.1 |
0.496 |
2 |
1 |
0 |
0.000 |
Average: |
216.0 |
-1.0 |
0.515 |
2 |
1 |
0 |
0.000 |
12 |
19 |
|
B |
20 |
6 |
12077 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
18 |
4 |
12278 |
174.2 |
-0.2 |
0.550 |
4 |
2 |
0 |
0.000 |
20 |
|
D |
20 |
5 |
11819 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
18 |
4 |
12257 |
146.5 |
-0.6 |
0.526 |
2 |
0 |
0 |
0.000 |
Average: |
160.4 |
-0.4 |
0.538 |
3 |
1 |
0 |
0.000 |
13 |
21 |
|
[PEG]B:302 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
12077 |
130.4 |
2.3 |
0.300 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
B |
12 |
4 |
12077 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
13 |
5 |
11819 |
110.6 |
-1.5 |
0.309 |
0 |
0 |
0 |
0.000 |
15 |
23 |
|
[EDO]D:302 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
11819 |
105.4 |
4.5 |
0.546 |
4 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]D:303 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
17 |
9 |
11819 |
101.6 |
3.1 |
0.499 |
1 |
0 |
0 |
0.000 |
17 |
25 |
|
[EDO]D:304 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
11819 |
93.8 |
2.5 |
0.436 |
1 |
0 |
0 |
0.000 |
18 |
26 |
|
[EDO]B:303 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
12077 |
82.6 |
1.6 |
0.334 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[EDO]B:304 |
4 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
12077 |
81.2 |
2.4 |
0.909 |
2 |
0 |
0 |
0.000 |
20 |
28 |
|
[EDO]B:303 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
12278 |
78.1 |
1.3 |
0.219 |
1 |
0 |
0 |
0.000 |
21 |
29 |
|
[EDO]A:302 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
12278 |
67.6 |
1.4 |
0.740 |
2 |
0 |
0 |
0.000 |
22 |
30 |
|
[PEG]B:302 |
4 |
1 |
261 |
f |
B |
-x,y-1/2,-z |
2_545 |
3 |
2 |
12077 |
41.2 |
0.5 |
0.142 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
[ZN]C:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
12257 |
36.3 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.074 |
32 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
11819 |
35.8 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.074 |
33 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
12278 |
35.8 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.074 |
34 |
|
[ZN]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
12077 |
35.7 |
-26.4 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
35.9 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.074 |
24 |
35 |
|
[V13]B:305 |
3 |
1 |
439 |
cf |
[ZN]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.032 |
25 |
36 |
|
[V13]D:305 |
5 |
1 |
432 |
f |
[ZN]D:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.037 |
37 |
|
[V13]A:303 |
5 |
1 |
432 |
f |
[ZN]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.037 |
38 |
|
[V13]C:302 |
4 |
1 |
441 |
f |
[ZN]C:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.7 |
-13.1 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
31.0 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.037 |
26 |
39 |
|
[EDO]A:302 |
2 |
1 |
187 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
7 |
3 |
12077 |
26.0 |
0.9 |
0.790 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
[EDO]D:303 |
1 |
1 |
186 |
f |
[EDO]D:302 |
x,y,z |
1_555 |
2 |
1 |
184 |
16.7 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
D |
1 |
1 |
11819 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
12278 |
5.2 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[V13]D:305 |
1 |
1 |
432 |
f |
[EDO]D:304 |
x,y,z |
1_555 |
2 |
1 |
184 |
4.0 |
0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
|