| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
90 |
22 |
5044 |
◊ |
A |
x,y,z |
1_555 |
77 |
22 |
5583 |
701.4 |
-6.1 |
0.699 |
17 |
4 |
0 |
0.000 |
2 |
|
A |
61 |
15 |
5583 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
60 |
16 |
5044 |
510.5 |
0.1 |
0.921 |
12 |
0 |
0 |
0.000 |
3 |
|
B |
60 |
20 |
5044 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
62 |
18 |
5583 |
468.8 |
-8.6 |
0.274 |
3 |
1 |
0 |
0.000 |
4 |
|
[P33]B:101 |
20 |
1 |
565 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
5044 |
211.7 |
-0.6 |
0.430 |
3 |
0 |
0 |
0.000 |
5 |
|
B |
18 |
7 |
5044 |
x |
B |
-x+1/2,-y+1,z-1/2 |
2_564 |
17 |
5 |
5044 |
193.8 |
-0.9 |
0.662 |
3 |
0 |
0 |
0.000 |
6 |
|
[PG4]B:108 |
13 |
1 |
404 |
f |
B |
x,y,z |
1_555 |
25 |
8 |
5044 |
181.2 |
1.8 |
0.252 |
3 |
0 |
0 |
0.000 |
7 |
|
[PG4]A:111 |
13 |
1 |
405 |
f |
A |
x,y,z |
1_555 |
27 |
9 |
5583 |
171.3 |
1.7 |
0.307 |
4 |
0 |
0 |
0.381 |
8 |
|
A |
14 |
4 |
5583 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
8 |
5044 |
156.2 |
-2.9 |
0.302 |
0 |
0 |
0 |
0.000 |
9 |
|
[PG4]A:112 |
11 |
1 |
379 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
5583 |
135.7 |
4.0 |
0.332 |
4 |
0 |
0 |
0.000 |
10 |
|
[PEG]B:107 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
5044 |
134.8 |
3.2 |
0.460 |
4 |
0 |
0 |
0.000 |
11 |
|
A |
17 |
6 |
5583 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
8 |
5583 |
134.5 |
-2.2 |
0.443 |
2 |
0 |
0 |
0.000 |
12 |
|
[PEG]B:104 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
5044 |
123.9 |
2.7 |
0.441 |
3 |
0 |
0 |
0.000 |
13 |
|
[PG4]A:110 |
10 |
1 |
411 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
5583 |
121.7 |
3.2 |
0.444 |
2 |
0 |
0 |
0.000 |
14 |
|
[P33]B:101 |
16 |
1 |
565 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
6 |
5583 |
119.8 |
0.8 |
0.599 |
1 |
0 |
0 |
0.000 |
15 |
|
[PG4]B:110 |
11 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
5044 |
117.4 |
0.5 |
0.220 |
3 |
0 |
0 |
0.000 |
16 |
|
[PEG]B:105 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
5044 |
114.1 |
2.9 |
0.403 |
2 |
0 |
0 |
0.000 |
17 |
|
[PEG]B:103 |
7 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
5583 |
112.5 |
2.4 |
0.454 |
0 |
0 |
0 |
0.000 |
18 |
|
[PG4]A:112 |
10 |
1 |
379 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
5044 |
111.2 |
1.6 |
0.183 |
4 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:103 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
5583 |
96.6 |
2.5 |
0.518 |
4 |
0 |
0 |
0.000 |
20 |
|
A |
12 |
4 |
5583 |
◊ |
[PG4]B:108 |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
1 |
404 |
93.9 |
2.9 |
0.540 |
1 |
0 |
0 |
0.000 |
21 |
|
[P33]B:101 |
9 |
1 |
565 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
5583 |
93.4 |
-0.8 |
0.449 |
2 |
0 |
0 |
0.000 |
22 |
|
[EDO]A:102 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
5583 |
93.4 |
2.0 |
0.488 |
2 |
0 |
0 |
0.000 |
23 |
|
[PEG]A:109 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
5583 |
92.6 |
1.3 |
0.233 |
0 |
0 |
0 |
0.000 |
24 |
|
[PEG]A:109 |
7 |
1 |
262 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
5 |
5044 |
90.7 |
1.8 |
0.243 |
0 |
0 |
0 |
0.000 |
25 |
|
[PG4]A:110 |
9 |
1 |
411 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
5044 |
88.2 |
-0.7 |
0.130 |
1 |
0 |
0 |
0.000 |
26 |
|
[PG4]A:110 |
8 |
1 |
411 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
3 |
5583 |
87.8 |
1.0 |
0.300 |
1 |
0 |
0 |
0.000 |
27 |
|
[PG4]B:109 |
5 |
1 |
404 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
5583 |
86.6 |
1.2 |
0.411 |
0 |
0 |
0 |
0.000 |
28 |
|
[PG4]B:109 |
8 |
1 |
404 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
5044 |
80.2 |
1.8 |
0.324 |
1 |
0 |
0 |
0.000 |
29 |
|
[PG4]A:111 |
7 |
1 |
405 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
4 |
5044 |
78.6 |
1.0 |
0.356 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:107 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
5583 |
75.7 |
1.7 |
0.270 |
3 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:105 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
5583 |
73.1 |
2.3 |
0.311 |
2 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:101 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
5583 |
70.8 |
1.2 |
0.803 |
2 |
0 |
0 |
0.000 |
33 |
|
[PEG]B:104 |
6 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
5583 |
66.8 |
0.8 |
0.218 |
0 |
0 |
0 |
0.000 |
34 |
|
[PG4]B:108 |
5 |
1 |
404 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
4 |
5583 |
65.0 |
2.3 |
0.536 |
0 |
0 |
0 |
0.000 |
35 |
|
[PEG]A:108 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
5583 |
64.7 |
1.8 |
0.255 |
1 |
0 |
0 |
0.000 |
36 |
|
[PEG]A:108 |
7 |
1 |
262 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
5044 |
62.3 |
2.1 |
0.281 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:101 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
5044 |
61.8 |
1.8 |
0.298 |
2 |
0 |
0 |
0.000 |
38 |
|
[PEG]B:106 |
6 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
5044 |
61.1 |
1.7 |
0.334 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:105 |
4 |
1 |
182 |
f |
B |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
4 |
5044 |
60.3 |
0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:106 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
5583 |
60.3 |
1.2 |
0.255 |
2 |
0 |
0 |
0.000 |
41 |
|
B |
10 |
4 |
5044 |
◊ |
[PG4]A:111 |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
405 |
57.0 |
1.8 |
0.518 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]B:102 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
5044 |
56.8 |
1.7 |
0.322 |
2 |
0 |
0 |
0.000 |
43 |
|
B |
8 |
4 |
5044 |
◊ |
[EDO]A:106 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
185 |
51.4 |
1.1 |
0.807 |
1 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:104 |
3 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
5583 |
50.2 |
1.8 |
0.978 |
3 |
0 |
0 |
0.000 |
45 |
|
[PEG]B:106 |
4 |
1 |
260 |
f |
[PEG]B:103 |
x,y,z |
1_555 |
5 |
1 |
260 |
48.8 |
2.5 |
0.184 |
0 |
0 |
0 |
0.000 |
46 |
|
B |
4 |
4 |
5044 |
◊ |
[EDO]A:104 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
186 |
46.0 |
1.4 |
0.699 |
0 |
0 |
0 |
0.000 |
47 |
|
[P33]B:101 |
5 |
1 |
565 |
f |
[PG4]A:110 |
x,y,z |
1_555 |
5 |
1 |
411 |
45.5 |
-1.8 |
0.111 |
1 |
0 |
0 |
0.000 |
48 |
|
[PG4]B:110 |
5 |
1 |
405 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
5583 |
43.5 |
0.8 |
0.249 |
0 |
0 |
0 |
0.000 |
49 |
|
[PEG]B:106 |
7 |
1 |
260 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
5583 |
42.6 |
-0.5 |
0.062 |
0 |
0 |
0 |
0.000 |
50 |
|
[PEG]B:106 |
4 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
5583 |
40.1 |
1.0 |
0.365 |
0 |
0 |
0 |
0.000 |
51 |
|
[PG4]B:110 |
3 |
1 |
405 |
◊ |
[PG4]B:109 |
x,y,z |
1_555 |
4 |
1 |
404 |
36.8 |
2.4 |
0.282 |
0 |
0 |
0 |
0.000 |
52 |
|
[PG4]A:111 |
6 |
1 |
405 |
◊ |
[PEG]A:108 |
x,y,z |
1_555 |
2 |
1 |
262 |
36.1 |
0.2 |
0.149 |
1 |
0 |
0 |
0.000 |
53 |
|
[PG4]B:110 |
5 |
1 |
405 |
f |
[PG4]A:112 |
x,y,z |
1_555 |
5 |
1 |
379 |
34.5 |
1.9 |
0.155 |
0 |
0 |
0 |
0.000 |
54 |
|
[PEG]B:105 |
3 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
5583 |
33.3 |
0.8 |
0.349 |
1 |
0 |
0 |
0.000 |
55 |
|
[P33]B:101 |
5 |
1 |
565 |
◊ |
[EDO]A:106 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
185 |
32.2 |
1.8 |
0.813 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]B:102 |
3 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
5583 |
31.5 |
0.5 |
0.604 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]A:107 |
2 |
1 |
184 |
◊ |
[EDO]A:101 |
x,y,z |
1_555 |
3 |
1 |
186 |
30.8 |
1.8 |
1.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[PG4]A:111 |
4 |
1 |
405 |
◊ |
[PG4]B:109 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
404 |
30.8 |
1.4 |
0.242 |
0 |
0 |
0 |
0.000 |
59 |
|
[PEG]B:103 |
4 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
5044 |
29.5 |
1.6 |
0.419 |
0 |
0 |
0 |
0.000 |
60 |
|
[PEG]B:107 |
3 |
1 |
257 |
f |
[PEG]B:106 |
x,y,z |
1_555 |
3 |
1 |
260 |
29.4 |
-0.2 |
0.092 |
1 |
0 |
0 |
0.000 |
61 |
|
[PG4]A:110 |
4 |
1 |
411 |
◊ |
[PEG]B:106 |
x,y,z |
1_555 |
2 |
1 |
260 |
29.3 |
1.3 |
0.268 |
0 |
0 |
0 |
0.000 |
62 |
|
A |
3 |
1 |
5583 |
◊ |
[PEG]B:107 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
257 |
29.2 |
0.8 |
0.404 |
1 |
0 |
0 |
0.000 |
63 |
|
[EDO]A:103 |
2 |
1 |
186 |
◊ |
[EDO]A:102 |
x,y,z |
1_555 |
3 |
1 |
186 |
28.2 |
1.7 |
0.707 |
0 |
0 |
0 |
0.000 |
64 |
|
[EDO]A:104 |
2 |
1 |
186 |
f |
[EDO]A:103 |
x,y,z |
1_555 |
3 |
1 |
186 |
27.6 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
65 |
|
A |
2 |
1 |
5583 |
◊ |
[PG4]B:109 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
404 |
27.3 |
0.3 |
0.240 |
0 |
0 |
0 |
0.000 |
66 |
|
[EDO]A:102 |
3 |
1 |
186 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
5044 |
26.8 |
1.0 |
0.931 |
0 |
0 |
0 |
0.000 |
67 |
|
[EDO]A:105 |
2 |
1 |
182 |
◊ |
[PEG]B:105 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
261 |
25.9 |
1.0 |
0.378 |
0 |
0 |
0 |
0.000 |
68 |
|
[PG4]A:112 |
2 |
1 |
379 |
◊ |
[EDO]B:102 |
x,y,z |
1_555 |
2 |
1 |
183 |
25.8 |
1.7 |
0.396 |
0 |
0 |
0 |
0.000 |
69 |
|
[P33]B:101 |
2 |
1 |
565 |
f |
[PEG]B:104 |
x,y,z |
1_555 |
4 |
1 |
257 |
24.5 |
1.4 |
0.325 |
0 |
0 |
0 |
0.000 |
70 |
|
A |
4 |
1 |
5583 |
f |
[EDO]A:106 |
x-1/2,-y+1/2,-z+1 |
4_456 |
4 |
1 |
185 |
23.6 |
0.5 |
0.904 |
2 |
0 |
0 |
1.000 |
71 |
|
[PEG]B:103 |
3 |
1 |
260 |
f |
[EDO]B:102 |
x,y,z |
1_555 |
2 |
1 |
183 |
21.6 |
1.3 |
0.445 |
0 |
0 |
0 |
0.000 |
72 |
|
A |
3 |
2 |
5583 |
◊ |
[PG4]A:112 |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
379 |
21.1 |
0.8 |
0.421 |
0 |
0 |
0 |
0.000 |
73 |
|
B |
4 |
3 |
5044 |
f |
[PEG]A:108 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
262 |
21.1 |
-0.0 |
0.231 |
1 |
0 |
0 |
0.000 |
74 |
|
[PG4]B:110 |
4 |
1 |
405 |
◊ |
[EDO]B:102 |
x,y,z |
1_555 |
2 |
1 |
183 |
19.3 |
0.6 |
0.418 |
0 |
0 |
0 |
0.000 |
75 |
|
[PG4]B:109 |
4 |
1 |
404 |
f |
[EDO]B:102 |
x,y,z |
1_555 |
2 |
1 |
183 |
18.1 |
0.8 |
0.457 |
0 |
0 |
0 |
0.000 |
76 |
|
[PEG]A:108 |
2 |
1 |
262 |
f |
[EDO]A:102 |
x,y,z |
1_555 |
2 |
1 |
186 |
15.9 |
0.8 |
0.495 |
0 |
0 |
0 |
0.000 |
77 |
|
[PEG]B:104 |
1 |
1 |
257 |
◊ |
[EDO]A:106 |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
185 |
14.0 |
0.9 |
0.655 |
0 |
0 |
0 |
0.000 |
78 |
|
[PG4]A:112 |
2 |
1 |
379 |
◊ |
[PEG]B:103 |
x,y,z |
1_555 |
3 |
1 |
260 |
13.5 |
0.9 |
0.197 |
0 |
0 |
0 |
0.000 |
79 |
|
[EDO]A:107 |
1 |
1 |
184 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
5583 |
13.2 |
0.3 |
0.619 |
0 |
0 |
0 |
0.000 |
80 |
|
[PEG]B:107 |
1 |
1 |
257 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
5583 |
10.7 |
-0.4 |
0.246 |
0 |
0 |
0 |
0.000 |
81 |
|
[P33]B:101 |
1 |
1 |
565 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
5044 |
10.3 |
0.5 |
0.767 |
0 |
0 |
0 |
0.000 |
82 |
|
[PEG]B:107 |
2 |
1 |
257 |
f |
[EDO]B:102 |
x,y,z |
1_555 |
1 |
1 |
183 |
10.3 |
0.5 |
0.535 |
0 |
0 |
0 |
0.000 |
83 |
|
[EDO]A:107 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
5044 |
9.4 |
0.2 |
0.658 |
0 |
0 |
0 |
0.000 |
84 |
|
[PG4]A:112 |
2 |
1 |
379 |
f |
[EDO]A:103 |
x,y,z |
1_555 |
2 |
1 |
186 |
8.9 |
0.4 |
0.487 |
0 |
0 |
0 |
0.000 |
85 |
|
[PEG]A:109 |
1 |
1 |
262 |
f |
[EDO]A:107 |
x,y,z |
1_555 |
1 |
1 |
184 |
8.6 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
86 |
|
B |
1 |
1 |
5044 |
◊ |
[EDO]A:103 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
186 |
7.4 |
-0.0 |
0.572 |
0 |
0 |
0 |
0.000 |
87 |
|
A |
2 |
1 |
5583 |
f |
[PEG]B:105 |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
261 |
6.3 |
0.2 |
0.354 |
0 |
0 |
0 |
0.000 |
88 |
|
[PEG]A:108 |
1 |
1 |
262 |
◊ |
[EDO]A:103 |
x,y,z |
1_555 |
2 |
1 |
186 |
5.1 |
0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
89 |
|
[PEG]B:107 |
1 |
1 |
257 |
f |
[PEG]B:103 |
x,y,z |
1_555 |
1 |
1 |
260 |
3.1 |
0.1 |
0.202 |
0 |
0 |
0 |
0.000 |
90 |
|
[PEG]A:108 |
1 |
1 |
262 |
f |
[PG4]B:109 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
404 |
2.3 |
-0.0 |
0.210 |
0 |
0 |
0 |
0.000 |
91 |
|
[EDO]A:107 |
2 |
1 |
184 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
5044 |
2.3 |
0.0 |
0.724 |
0 |
0 |
0 |
0.000 |
92 |
|
[EDO]A:102 |
1 |
1 |
186 |
f |
[PEG]B:107 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
257 |
0.7 |
0.0 |
0.378 |
0 |
0 |
0 |
0.000 |
93 |
|
[PEG]A:108 |
1 |
1 |
262 |
f |
[PEG]B:107 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
257 |
0.3 |
0.0 |
0.202 |
0 |
0 |
0 |
0.000 |
|