## |
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 |
|
H |
370 |
109 |
20792 |
◊ |
G |
x,y,z |
1_555 |
358 |
104 |
20658 |
3729.2 |
-34.9 |
0.099 |
57 |
20 |
0 |
1.000 |
2 |
|
F |
365 |
106 |
20772 |
◊ |
E |
x,y,z |
1_555 |
360 |
105 |
20626 |
3709.1 |
-34.6 |
0.142 |
61 |
23 |
0 |
1.000 |
3 |
|
D |
372 |
108 |
20831 |
◊ |
C |
x,y,z |
1_555 |
352 |
103 |
20370 |
3645.5 |
-32.8 |
0.199 |
60 |
21 |
0 |
1.000 |
4 |
|
B |
360 |
106 |
20698 |
◊ |
A |
x,y,z |
1_555 |
356 |
104 |
20360 |
3584.1 |
-32.0 |
0.188 |
62 |
21 |
0 |
1.000 |
Average: |
3667.0 |
-33.6 |
0.157 |
60 |
21 |
0 |
1.000 |
2 |
5 |
|
D |
95 |
26 |
20831 |
◊ |
B |
x,y,z |
1_555 |
96 |
26 |
20698 |
918.1 |
-13.9 |
0.072 |
0 |
4 |
0 |
1.000 |
6 |
|
G |
93 |
24 |
20658 |
◊ |
E |
x,y,z |
1_555 |
98 |
26 |
20626 |
914.3 |
-13.9 |
0.076 |
1 |
4 |
0 |
1.000 |
7 |
|
C |
97 |
25 |
20370 |
◊ |
A |
x,y,z |
1_555 |
96 |
24 |
20360 |
904.4 |
-15.0 |
0.070 |
0 |
3 |
0 |
1.000 |
8 |
|
H |
97 |
24 |
20792 |
◊ |
F |
x,y,z |
1_555 |
96 |
25 |
20772 |
898.8 |
-14.2 |
0.061 |
3 |
3 |
0 |
1.000 |
Average: |
908.9 |
-14.2 |
0.070 |
1 |
4 |
0 |
1.000 |
3 |
9 |
|
C |
93 |
29 |
20370 |
◊ |
B |
x,y,z |
1_555 |
92 |
29 |
20698 |
887.0 |
-9.9 |
0.245 |
6 |
4 |
0 |
0.234 |
10 |
|
D |
91 |
29 |
20831 |
◊ |
A |
x,y,z |
1_555 |
94 |
29 |
20360 |
884.6 |
-9.3 |
0.263 |
7 |
4 |
0 |
0.234 |
11 |
|
H |
93 |
29 |
20792 |
◊ |
E |
x,y,z |
1_555 |
98 |
31 |
20626 |
883.8 |
-9.6 |
0.266 |
5 |
4 |
0 |
0.234 |
12 |
|
G |
95 |
28 |
20658 |
◊ |
F |
x,y,z |
1_555 |
90 |
29 |
20772 |
883.5 |
-8.8 |
0.264 |
7 |
4 |
0 |
0.234 |
Average: |
884.7 |
-9.4 |
0.260 |
6 |
4 |
0 |
0.234 |
4 |
13 |
|
E |
73 |
19 |
20626 |
◊ |
B |
x,y,z |
1_555 |
78 |
22 |
20698 |
638.0 |
-4.2 |
0.540 |
7 |
2 |
0 |
0.000 |
14 |
|
F |
69 |
21 |
20772 |
◊ |
A |
x,y,z |
1_555 |
68 |
20 |
20360 |
602.0 |
-4.0 |
0.515 |
7 |
2 |
0 |
0.000 |
Average: |
620.0 |
-4.1 |
0.528 |
7 |
2 |
0 |
0.000 |
5 |
15 |
|
B |
51 |
16 |
20698 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
49 |
15 |
20792 |
478.8 |
-0.3 |
0.690 |
5 |
2 |
0 |
0.000 |
16 |
|
D |
52 |
15 |
20831 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
47 |
15 |
20772 |
446.0 |
-0.5 |
0.680 |
5 |
2 |
0 |
0.000 |
17 |
|
A |
52 |
16 |
20360 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
48 |
16 |
20658 |
438.9 |
0.2 |
0.739 |
5 |
0 |
0 |
0.000 |
18 |
|
G |
45 |
16 |
20658 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
44 |
15 |
20360 |
390.1 |
0.1 |
0.755 |
5 |
2 |
0 |
0.000 |
Average: |
438.4 |
-0.1 |
0.716 |
5 |
2 |
0 |
0.000 |
6 |
19 |
|
E |
47 |
16 |
20626 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
59 |
18 |
20370 |
466.1 |
-0.8 |
0.738 |
7 |
1 |
0 |
0.000 |
20 |
|
C |
43 |
14 |
20370 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
52 |
18 |
20626 |
376.1 |
-0.7 |
0.684 |
4 |
3 |
0 |
0.000 |
Average: |
421.1 |
-0.7 |
0.711 |
6 |
2 |
0 |
0.000 |
7 |
21 |
|
C |
43 |
13 |
20370 |
◊ |
G |
x,y-1,z |
1_545 |
45 |
12 |
20658 |
414.2 |
-3.1 |
0.458 |
3 |
0 |
0 |
0.000 |
8 |
22 |
|
B |
31 |
10 |
20698 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
37 |
13 |
20792 |
269.6 |
1.7 |
0.848 |
3 |
4 |
0 |
0.000 |
9 |
23 |
|
[1PE]B:603 |
16 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
33 |
10 |
20698 |
232.6 |
1.6 |
0.812 |
5 |
0 |
0 |
0.011 |
10 |
24 |
|
[PG4]F:602 |
13 |
1 |
408 |
◊ |
F |
x,y,z |
1_555 |
30 |
10 |
20772 |
218.9 |
6.7 |
0.433 |
4 |
0 |
0 |
0.000 |
11 |
25 |
|
[PG4]H:604 |
13 |
1 |
410 |
◊ |
H |
x,y,z |
1_555 |
31 |
10 |
20792 |
213.8 |
6.6 |
0.441 |
5 |
0 |
0 |
0.000 |
26 |
|
[PG4]G:602 |
13 |
1 |
403 |
◊ |
G |
x,y,z |
1_555 |
34 |
9 |
20658 |
210.3 |
6.8 |
0.471 |
2 |
0 |
0 |
0.000 |
27 |
|
[PG4]C:602 |
13 |
1 |
391 |
◊ |
C |
x,y,z |
1_555 |
32 |
9 |
20370 |
202.0 |
4.9 |
0.387 |
4 |
0 |
0 |
0.000 |
28 |
|
[PG4]D:603 |
13 |
1 |
397 |
◊ |
D |
x,y,z |
1_555 |
30 |
10 |
20831 |
201.3 |
4.9 |
0.345 |
5 |
0 |
0 |
0.000 |
Average: |
206.8 |
5.8 |
0.411 |
4 |
0 |
0 |
0.000 |
12 |
29 |
|
[PGE]D:602 |
10 |
1 |
332 |
f |
D |
x,y,z |
1_555 |
29 |
16 |
20831 |
212.1 |
4.5 |
0.308 |
1 |
0 |
0 |
0.000 |
13 |
30 |
|
[PGE]E:603 |
10 |
1 |
334 |
f |
E |
x,y,z |
1_555 |
25 |
11 |
20626 |
202.2 |
3.9 |
0.235 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
[6PC]C:601 |
9 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
36 |
14 |
20370 |
199.4 |
5.3 |
0.416 |
5 |
0 |
0 |
0.000 |
32 |
|
[6PC]A:601 |
9 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
35 |
13 |
20360 |
195.8 |
5.1 |
0.365 |
4 |
0 |
0 |
0.000 |
33 |
|
[6PC]G:601 |
9 |
1 |
272 |
f |
G |
x,y,z |
1_555 |
35 |
13 |
20658 |
190.2 |
5.3 |
0.356 |
5 |
0 |
0 |
0.000 |
Average: |
195.1 |
5.2 |
0.379 |
5 |
0 |
0 |
0.000 |
15 |
34 |
|
[PGE]H:605 |
10 |
1 |
324 |
f |
H |
x,y,z |
1_555 |
30 |
15 |
20792 |
198.3 |
5.3 |
0.392 |
1 |
0 |
0 |
0.000 |
16 |
35 |
|
[6PC]H:601 |
9 |
1 |
273 |
f |
H |
x,y,z |
1_555 |
35 |
13 |
20792 |
192.0 |
5.2 |
0.405 |
5 |
0 |
0 |
0.000 |
17 |
36 |
|
[6PC]F:601 |
9 |
1 |
271 |
f |
F |
x,y,z |
1_555 |
36 |
14 |
20772 |
191.8 |
5.3 |
0.371 |
5 |
0 |
0 |
0.000 |
37 |
|
[6PC]B:601 |
9 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
35 |
13 |
20698 |
190.7 |
5.2 |
0.432 |
5 |
0 |
0 |
0.000 |
Average: |
191.3 |
5.3 |
0.402 |
5 |
0 |
0 |
0.000 |
18 |
38 |
|
[6PC]E:601 |
9 |
1 |
272 |
◊ |
E |
x,y,z |
1_555 |
37 |
14 |
20626 |
191.4 |
5.2 |
0.426 |
5 |
0 |
0 |
0.000 |
39 |
|
[6PC]D:601 |
9 |
1 |
270 |
◊ |
D |
x,y,z |
1_555 |
34 |
13 |
20831 |
190.7 |
5.3 |
0.407 |
5 |
0 |
0 |
0.000 |
Average: |
191.0 |
5.3 |
0.416 |
5 |
0 |
0 |
0.000 |
19 |
40 |
|
[PGE]A:602 |
10 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
20360 |
179.1 |
5.2 |
0.288 |
3 |
0 |
0 |
0.000 |
20 |
41 |
|
[PGE]E:602 |
10 |
1 |
336 |
◊ |
E |
x,y,z |
1_555 |
29 |
9 |
20626 |
178.0 |
5.4 |
0.333 |
3 |
0 |
0 |
0.000 |
21 |
42 |
|
[PGE]H:603 |
9 |
1 |
310 |
◊ |
H |
x,y,z |
1_555 |
24 |
10 |
20792 |
164.7 |
5.0 |
0.344 |
1 |
0 |
0 |
0.000 |
22 |
43 |
|
[PEG]B:602 |
7 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
22 |
10 |
20698 |
161.5 |
2.7 |
0.330 |
1 |
0 |
0 |
0.000 |
23 |
44 |
|
[PEG]F:603 |
7 |
1 |
260 |
◊ |
F |
x,y,z |
1_555 |
18 |
8 |
20772 |
110.0 |
2.5 |
0.318 |
0 |
0 |
0 |
0.000 |
24 |
45 |
|
B |
16 |
5 |
20698 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
8 |
3 |
20658 |
95.9 |
1.2 |
0.814 |
2 |
0 |
0 |
0.000 |
46 |
|
C |
10 |
5 |
20370 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
9 |
3 |
20772 |
79.4 |
0.5 |
0.731 |
3 |
0 |
0 |
0.000 |
47 |
|
B |
8 |
2 |
20698 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
9 |
3 |
20658 |
75.9 |
0.6 |
0.755 |
1 |
0 |
0 |
0.000 |
Average: |
83.7 |
0.7 |
0.767 |
2 |
0 |
0 |
0.000 |
25 |
48 |
|
[EDO]H:602 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
16 |
8 |
20792 |
87.4 |
2.1 |
0.240 |
1 |
0 |
0 |
0.000 |
26 |
49 |
|
D |
6 |
3 |
20831 |
◊ |
H |
x,y-1,z |
1_545 |
10 |
5 |
20792 |
56.1 |
0.8 |
0.812 |
1 |
0 |
0 |
0.000 |
27 |
50 |
|
[PEG]F:603 |
6 |
1 |
260 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
20792 |
46.6 |
0.5 |
0.109 |
0 |
0 |
0 |
0.000 |
28 |
51 |
|
D |
5 |
3 |
20831 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
7 |
5 |
20772 |
44.8 |
-0.4 |
0.446 |
0 |
0 |
0 |
0.000 |
29 |
52 |
|
B |
6 |
3 |
20698 |
f |
[PGE]H:603 |
-x+1/2,y-1/2,-z+1 |
4_546 |
3 |
1 |
310 |
33.8 |
0.9 |
0.282 |
1 |
0 |
0 |
0.000 |
30 |
53 |
|
[PEG]F:603 |
2 |
1 |
260 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
20626 |
33.1 |
0.2 |
0.276 |
0 |
0 |
0 |
0.000 |
31 |
54 |
|
H |
5 |
3 |
20792 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
6 |
3 |
20360 |
31.8 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
32 |
55 |
|
[EDO]H:602 |
3 |
1 |
185 |
◊ |
[PEG]F:603 |
x,y,z |
1_555 |
4 |
1 |
260 |
25.3 |
1.3 |
0.355 |
0 |
0 |
0 |
0.000 |
33 |
56 |
|
F |
4 |
2 |
20772 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
20698 |
22.0 |
0.8 |
0.875 |
0 |
0 |
0 |
0.000 |
34 |
57 |
|
C |
2 |
1 |
20370 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
20772 |
21.1 |
-0.2 |
0.387 |
0 |
0 |
0 |
0.000 |
35 |
58 |
|
[EDO]H:602 |
2 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
3 |
1 |
20772 |
20.6 |
0.1 |
0.346 |
0 |
0 |
0 |
0.000 |
36 |
59 |
|
D |
5 |
3 |
20831 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
20626 |
15.1 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
37 |
60 |
|
E |
2 |
1 |
20626 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20360 |
11.2 |
0.7 |
0.905 |
0 |
0 |
0 |
0.000 |
38 |
61 |
|
[1PE]B:603 |
2 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
20360 |
6.9 |
-0.2 |
0.516 |
0 |
0 |
0 |
0.004 |
39 |
62 |
|
[PG4]D:603 |
2 |
1 |
397 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
20370 |
6.3 |
0.1 |
0.294 |
0 |
0 |
0 |
0.000 |
63 |
|
[PG4]C:602 |
1 |
1 |
391 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
20831 |
3.5 |
0.1 |
0.337 |
0 |
0 |
0 |
0.000 |
64 |
|
[PG4]G:602 |
1 |
1 |
403 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
20792 |
2.4 |
0.0 |
0.255 |
0 |
0 |
0 |
0.000 |
Average: |
4.1 |
0.1 |
0.295 |
0 |
0 |
0 |
0.000 |
40 |
65 |
|
E |
2 |
1 |
20626 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
2 |
2 |
20831 |
4.7 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
41 |
66 |
|
[PGE]A:602 |
2 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
20698 |
1.9 |
0.0 |
0.221 |
0 |
0 |
0 |
0.000 |
42 |
67 |
|
[PGE]E:602 |
1 |
1 |
336 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
20772 |
1.0 |
0.0 |
0.318 |
0 |
0 |
0 |
0.000 |
43 |
68 |
|
[PEG]B:602 |
1 |
1 |
255 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
20626 |
0.9 |
0.0 |
0.320 |
0 |
0 |
0 |
0.000 |
44 |
69 |
|
[6PC]D:601 |
1 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
20370 |
0.5 |
0.0 |
0.824 |
0 |
0 |
0 |
0.000 |
45 |
70 |
|
[PG4]F:602 |
1 |
1 |
408 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
20626 |
0.4 |
0.0 |
0.369 |
0 |
0 |
0 |
0.000 |
|