## |
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 |
|
F |
90 |
18 |
4279 |
◊ |
E |
x,y,z |
1_555 |
89 |
23 |
4140 |
784.7 |
-6.6 |
0.232 |
15 |
5 |
0 |
0.498 |
2 |
|
D |
92 |
18 |
4538 |
◊ |
C |
x,y,z |
1_555 |
87 |
23 |
4182 |
756.7 |
-6.3 |
0.273 |
16 |
5 |
0 |
0.498 |
3 |
|
B |
81 |
19 |
4315 |
◊ |
A |
x,y,z |
1_555 |
85 |
23 |
4165 |
726.3 |
-6.2 |
0.268 |
15 |
5 |
0 |
0.498 |
4 |
|
E |
79 |
18 |
4140 |
◊ |
D |
x,y,z |
1_555 |
85 |
23 |
4538 |
722.8 |
-6.0 |
0.283 |
14 |
6 |
0 |
0.498 |
5 |
|
F |
83 |
22 |
4279 |
◊ |
A |
x,y,z |
1_555 |
87 |
18 |
4165 |
716.5 |
-6.0 |
0.214 |
15 |
5 |
0 |
0.498 |
6 |
|
C |
84 |
16 |
4182 |
◊ |
B |
x,y,z |
1_555 |
76 |
22 |
4315 |
685.4 |
-6.5 |
0.236 |
14 |
5 |
0 |
0.498 |
Average: |
732.1 |
-6.3 |
0.251 |
15 |
5 |
0 |
0.498 |
2 |
7 |
|
E |
22 |
7 |
4140 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
22 |
7 |
4279 |
220.8 |
3.2 |
0.867 |
4 |
2 |
0 |
0.000 |
3 |
8 |
|
[PG4]C:101 |
13 |
1 |
411 |
◊ |
C |
x,y,z |
1_555 |
25 |
5 |
4182 |
202.2 |
5.3 |
0.337 |
1 |
0 |
0 |
0.000 |
4 |
9 |
|
[U5P]E:104 |
20 |
1 |
454 |
f |
E |
x,y,z |
1_555 |
28 |
7 |
4140 |
192.9 |
-3.1 |
0.603 |
4 |
0 |
0 |
0.048 |
5 |
10 |
|
[U5P]D:101 |
19 |
1 |
460 |
◊ |
D |
x,y,z |
1_555 |
30 |
7 |
4538 |
161.7 |
-0.6 |
0.680 |
3 |
0 |
0 |
0.017 |
11 |
|
[U5P]F:104 |
18 |
1 |
442 |
◊ |
F |
x,y,z |
1_555 |
28 |
6 |
4279 |
156.4 |
0.2 |
0.652 |
2 |
0 |
0 |
0.017 |
12 |
|
[U5P]C:104 |
19 |
1 |
455 |
◊ |
C |
x,y,z |
1_555 |
27 |
5 |
4182 |
144.2 |
-0.1 |
0.676 |
3 |
0 |
0 |
0.017 |
Average: |
154.1 |
-0.2 |
0.669 |
3 |
0 |
0 |
0.017 |
6 |
13 |
|
[PG4]E:101 |
10 |
1 |
407 |
◊ |
E |
x,y,z |
1_555 |
25 |
6 |
4140 |
158.9 |
5.4 |
0.465 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
[PGE]E:102 |
10 |
1 |
336 |
◊ |
F |
x-1/2,-y+1/2,-z |
4_455 |
26 |
6 |
4279 |
149.3 |
5.0 |
0.312 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
[PG4]E:101 |
12 |
1 |
407 |
f |
F |
x-1/2,-y+1/2,-z |
4_455 |
16 |
6 |
4279 |
148.9 |
3.5 |
0.291 |
3 |
0 |
0 |
0.000 |
9 |
16 |
|
[U5P]B:104 |
18 |
1 |
444 |
◊ |
B |
x,y,z |
1_555 |
27 |
6 |
4315 |
142.0 |
0.8 |
0.728 |
1 |
0 |
0 |
0.004 |
17 |
|
[U5P]A:104 |
17 |
1 |
420 |
◊ |
A |
x,y,z |
1_555 |
25 |
5 |
4165 |
141.9 |
0.0 |
0.539 |
3 |
0 |
0 |
0.004 |
Average: |
141.9 |
0.4 |
0.634 |
2 |
0 |
0 |
0.004 |
10 |
18 |
|
[U5P]A:104 |
15 |
1 |
420 |
◊ |
F |
x,y,z |
1_555 |
18 |
4 |
4279 |
125.4 |
-2.3 |
0.503 |
1 |
0 |
0 |
0.027 |
19 |
|
[U5P]F:104 |
15 |
1 |
442 |
◊ |
E |
x,y,z |
1_555 |
18 |
4 |
4140 |
120.2 |
-1.5 |
0.550 |
1 |
0 |
0 |
0.027 |
20 |
|
[U5P]B:104 |
15 |
1 |
444 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
4165 |
116.9 |
-1.4 |
0.542 |
1 |
0 |
0 |
0.027 |
Average: |
120.8 |
-1.7 |
0.532 |
1 |
0 |
0 |
0.027 |
11 |
21 |
|
[U5P]D:101 |
15 |
1 |
460 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
4182 |
118.6 |
-1.3 |
0.591 |
1 |
0 |
0 |
0.015 |
22 |
|
[U5P]C:104 |
15 |
1 |
455 |
◊ |
B |
x,y,z |
1_555 |
18 |
4 |
4315 |
113.0 |
-1.3 |
0.632 |
1 |
0 |
0 |
0.015 |
Average: |
115.8 |
-1.3 |
0.612 |
1 |
0 |
0 |
0.015 |
12 |
23 |
|
[U5P]E:104 |
17 |
1 |
454 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
4538 |
114.5 |
-0.9 |
0.635 |
1 |
0 |
0 |
0.008 |
13 |
24 |
|
[SO4]A:102 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
4165 |
111.4 |
-15.1 |
0.767 |
2 |
0 |
0 |
0.097 |
14 |
25 |
|
D |
19 |
5 |
4538 |
◊ |
[PGE]A:101 |
x-1,y,z |
1_455 |
6 |
1 |
336 |
109.7 |
3.3 |
0.426 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[PGE]A:101 |
8 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
18 |
5 |
4165 |
107.9 |
2.5 |
0.226 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
C |
10 |
4 |
4182 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
4165 |
105.9 |
2.1 |
0.844 |
2 |
0 |
0 |
0.000 |
28 |
|
D |
9 |
4 |
4538 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
3 |
4279 |
73.3 |
1.3 |
0.815 |
2 |
0 |
0 |
0.000 |
Average: |
89.6 |
1.7 |
0.830 |
2 |
0 |
0 |
0.000 |
17 |
29 |
|
[PGE]E:102 |
10 |
1 |
336 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
4140 |
104.6 |
2.7 |
0.119 |
3 |
0 |
0 |
0.000 |
18 |
30 |
|
[EDO]B:101 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
4315 |
102.4 |
3.1 |
0.508 |
2 |
0 |
0 |
0.000 |
19 |
31 |
|
D |
12 |
3 |
4538 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
3 |
4165 |
93.1 |
-0.4 |
0.527 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[PEG]F:101 |
4 |
1 |
262 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
4279 |
90.0 |
3.0 |
0.541 |
1 |
0 |
0 |
0.000 |
21 |
33 |
|
[SO4]F:102 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
4165 |
63.8 |
-7.0 |
0.888 |
1 |
0 |
0 |
0.045 |
22 |
34 |
|
[PG4]C:101 |
6 |
1 |
411 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
4315 |
62.3 |
-1.4 |
0.155 |
2 |
0 |
0 |
0.032 |
23 |
35 |
|
[SO4]F:102 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
4279 |
59.7 |
-8.8 |
0.644 |
2 |
0 |
0 |
0.068 |
24 |
36 |
|
[U5P]D:101 |
9 |
1 |
460 |
f |
[U5P]C:104 |
x,y,z |
1_555 |
8 |
1 |
455 |
58.6 |
-3.3 |
0.478 |
0 |
0 |
0 |
0.014 |
25 |
37 |
|
D |
4 |
3 |
4538 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
4140 |
58.4 |
1.5 |
0.855 |
0 |
0 |
0 |
0.000 |
26 |
38 |
|
[U5P]F:104 |
6 |
1 |
442 |
f |
[U5P]A:104 |
x,y,z |
1_555 |
8 |
1 |
420 |
54.1 |
-2.7 |
0.424 |
0 |
0 |
0 |
0.011 |
27 |
39 |
|
[U5P]B:104 |
8 |
1 |
444 |
f |
[U5P]A:104 |
x,y,z |
1_555 |
6 |
1 |
420 |
50.3 |
-2.4 |
0.454 |
0 |
0 |
0 |
0.021 |
40 |
|
[U5P]C:104 |
8 |
1 |
455 |
f |
[U5P]B:104 |
x,y,z |
1_555 |
5 |
1 |
444 |
48.9 |
-2.5 |
0.428 |
0 |
0 |
0 |
0.021 |
Average: |
49.6 |
-2.5 |
0.441 |
0 |
0 |
0 |
0.021 |
28 |
41 |
|
[CL]E:103 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
4140 |
49.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.079 |
42 |
|
[CL]C:103 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
4182 |
49.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
49.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.079 |
29 |
43 |
|
[NA]B:103 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
4315 |
48.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.167 |
44 |
|
[NA]A:103 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
4165 |
48.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.167 |
45 |
|
[NA]C:102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
4182 |
47.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.167 |
46 |
|
[NA]F:103 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
9 |
4 |
4279 |
46.8 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
47.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.167 |
30 |
47 |
|
[U5P]F:104 |
6 |
1 |
442 |
◊ |
[U5P]E:104 |
x,y,z |
1_555 |
4 |
1 |
454 |
45.1 |
-2.5 |
0.403 |
0 |
0 |
0 |
0.011 |
31 |
48 |
|
[CL]C:103 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
4538 |
39.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.049 |
49 |
|
[CL]E:103 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
4279 |
36.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.049 |
Average: |
38.0 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.049 |
32 |
50 |
|
[U5P]E:104 |
7 |
1 |
454 |
◊ |
[U5P]D:101 |
x,y,z |
1_555 |
6 |
1 |
460 |
36.9 |
-1.7 |
0.557 |
0 |
0 |
0 |
0.007 |
33 |
51 |
|
[U5P]C:104 |
5 |
1 |
455 |
f |
[NA]B:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
32.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.032 |
52 |
|
[U5P]B:104 |
5 |
1 |
444 |
f |
[NA]B:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
26.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.032 |
34 |
53 |
|
[NA]B:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
4315 |
26.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.013 |
35 |
54 |
|
[U5P]A:104 |
4 |
1 |
420 |
◊ |
[NA]F:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.3 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.053 |
55 |
|
[U5P]D:101 |
4 |
1 |
460 |
◊ |
[NA]C:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
26.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.053 |
56 |
|
[U5P]B:104 |
3 |
1 |
444 |
◊ |
[NA]A:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
25.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.053 |
57 |
|
[U5P]C:104 |
4 |
1 |
455 |
◊ |
[NA]B:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
25.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.053 |
36 |
58 |
|
[U5P]C:104 |
6 |
1 |
455 |
◊ |
[NA]C:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.037 |
59 |
|
[U5P]F:104 |
5 |
1 |
442 |
◊ |
[NA]F:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
24.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.037 |
60 |
|
[U5P]B:104 |
3 |
1 |
444 |
◊ |
[NA]B:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
23.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.037 |
61 |
|
[U5P]A:104 |
4 |
1 |
420 |
◊ |
[NA]A:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
22.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
23.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.037 |
37 |
62 |
|
[SO4]F:102 |
1 |
1 |
185 |
◊ |
[SO4]A:102 |
x,y,z |
1_555 |
3 |
1 |
185 |
22.5 |
-5.2 |
0.891 |
0 |
0 |
0 |
0.031 |
38 |
63 |
|
[NA]B:102 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
4182 |
21.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.011 |
39 |
64 |
|
[PEG]F:101 |
2 |
1 |
262 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
4165 |
20.4 |
0.7 |
0.414 |
0 |
0 |
0 |
0.000 |
40 |
65 |
|
[SO4]A:102 |
3 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
4279 |
19.4 |
-2.7 |
0.434 |
0 |
0 |
0 |
0.016 |
41 |
66 |
|
[U5P]F:104 |
3 |
1 |
442 |
f |
[U5P]B:104 |
x,y,z |
1_555 |
3 |
1 |
444 |
17.3 |
-1.6 |
0.408 |
0 |
0 |
0 |
0.007 |
42 |
67 |
|
[U5P]F:104 |
4 |
1 |
442 |
f |
[U5P]D:101 |
x,y,z |
1_555 |
4 |
1 |
460 |
16.9 |
-1.3 |
0.507 |
0 |
0 |
0 |
0.006 |
43 |
68 |
|
[U5P]D:101 |
1 |
1 |
460 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
4140 |
14.8 |
-1.1 |
0.226 |
0 |
0 |
0 |
0.011 |
69 |
|
[U5P]C:104 |
1 |
1 |
455 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
4538 |
13.8 |
-1.0 |
0.260 |
0 |
0 |
0 |
0.011 |
70 |
|
[U5P]F:104 |
1 |
1 |
442 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
4165 |
8.7 |
-0.6 |
0.295 |
0 |
0 |
0 |
0.011 |
Average: |
12.4 |
-0.9 |
0.261 |
0 |
0 |
0 |
0.011 |
44 |
71 |
|
[U5P]D:101 |
1 |
1 |
460 |
f |
[NA]B:102 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.007 |
45 |
72 |
|
[U5P]D:101 |
3 |
1 |
460 |
f |
[U5P]B:104 |
x,y,z |
1_555 |
2 |
1 |
444 |
9.6 |
-1.0 |
0.447 |
0 |
0 |
0 |
0.005 |
73 |
|
[U5P]C:104 |
1 |
1 |
455 |
f |
[U5P]A:104 |
x,y,z |
1_555 |
1 |
1 |
420 |
0.6 |
-0.1 |
0.429 |
0 |
0 |
0 |
0.005 |
Average: |
5.1 |
-0.5 |
0.438 |
0 |
0 |
0 |
0.005 |
46 |
74 |
|
[NA]F:103 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
4140 |
2.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.006 |
75 |
|
[NA]A:103 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
4279 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
76 |
|
[NA]B:103 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4165 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
77 |
|
[NA]C:102 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4315 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.006 |
|