## |
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 |
|
A |
45 |
17 |
13862 |
x |
A |
x-1,y,z |
1_455 |
50 |
15 |
13862 |
400.5 |
2.8 |
0.783 |
0 |
4 |
0 |
0.000 |
2 |
|
A |
41 |
13 |
13862 |
x |
A |
x,y-1,z+1 |
1_546 |
36 |
10 |
13862 |
350.5 |
0.7 |
0.605 |
2 |
7 |
0 |
0.000 |
3 |
|
A |
25 |
6 |
13862 |
x |
A |
x-1,y+1,z |
1_465 |
27 |
8 |
13862 |
260.4 |
2.3 |
0.823 |
0 |
2 |
0 |
0.000 |
4 |
|
A |
23 |
6 |
13862 |
x |
A |
x,y,z-1 |
1_554 |
23 |
7 |
13862 |
211.6 |
1.9 |
0.780 |
0 |
3 |
0 |
0.000 |
5 |
|
[GTR]A:501 |
13 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
13862 |
189.4 |
0.5 |
0.698 |
2 |
0 |
0 |
0.000 |
6 |
|
[PGE]A:535 |
10 |
1 |
320 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
13862 |
171.0 |
8.9 |
0.611 |
0 |
0 |
0 |
0.000 |
7 |
|
[PGE]A:537 |
9 |
1 |
326 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
13862 |
158.7 |
3.8 |
0.301 |
1 |
0 |
0 |
0.000 |
8 |
|
[PGE]A:538 |
10 |
1 |
333 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
13862 |
149.8 |
4.6 |
0.225 |
0 |
0 |
0 |
0.000 |
9 |
|
[PEG]A:532 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
21 |
10 |
13862 |
137.5 |
5.0 |
0.514 |
0 |
0 |
0 |
0.000 |
10 |
|
[PEG]A:533 |
6 |
1 |
251 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
13862 |
120.2 |
1.7 |
0.293 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]A:513 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
13862 |
114.1 |
3.3 |
0.435 |
0 |
0 |
0 |
0.000 |
12 |
|
[PEG]A:534 |
7 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
13862 |
113.0 |
2.5 |
0.286 |
1 |
0 |
0 |
0.000 |
13 |
|
[PGE]A:536 |
10 |
1 |
332 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13862 |
111.3 |
1.5 |
0.090 |
1 |
0 |
0 |
0.000 |
14 |
|
[EDO]A:530 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
20 |
8 |
13862 |
109.7 |
2.7 |
0.403 |
0 |
0 |
0 |
0.000 |
15 |
|
[EDO]A:519 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
13862 |
107.3 |
3.3 |
0.443 |
1 |
0 |
0 |
0.000 |
16 |
|
[PEG]A:531 |
7 |
1 |
241 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13862 |
105.6 |
1.4 |
0.148 |
0 |
0 |
0 |
0.000 |
17 |
|
[EDO]A:526 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
13862 |
104.6 |
3.5 |
0.518 |
1 |
0 |
0 |
0.000 |
18 |
|
[DMS]A:505 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
13862 |
104.2 |
2.4 |
0.423 |
1 |
0 |
0 |
0.000 |
19 |
|
[EDO]A:512 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13862 |
103.6 |
2.1 |
0.322 |
0 |
0 |
0 |
0.000 |
20 |
|
[EDO]A:527 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
13862 |
102.8 |
2.6 |
0.431 |
1 |
0 |
0 |
0.000 |
21 |
|
[EDO]A:511 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
13862 |
99.4 |
2.6 |
0.408 |
1 |
0 |
0 |
0.000 |
22 |
|
[DMS]A:502 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
13862 |
95.5 |
2.1 |
0.499 |
2 |
0 |
0 |
0.000 |
23 |
|
[EDO]A:523 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
13862 |
93.1 |
2.3 |
0.267 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]A:525 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
13862 |
90.6 |
2.0 |
0.213 |
0 |
0 |
0 |
0.000 |
25 |
|
[DMS]A:504 |
4 |
1 |
207 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
13862 |
89.7 |
2.3 |
0.545 |
1 |
0 |
0 |
0.000 |
26 |
|
A |
10 |
4 |
13862 |
x |
A |
x-1,y+1,z-1 |
1_464 |
13 |
3 |
13862 |
88.3 |
-0.4 |
0.511 |
0 |
0 |
0 |
0.000 |
27 |
|
[PEG]A:531 |
5 |
1 |
241 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
5 |
13862 |
85.9 |
2.3 |
0.369 |
0 |
0 |
0 |
0.000 |
28 |
|
[EDO]A:522 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13862 |
85.1 |
2.7 |
0.420 |
1 |
0 |
0 |
0.000 |
29 |
|
[EDO]A:529 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
13862 |
85.0 |
1.6 |
0.225 |
1 |
0 |
0 |
0.000 |
30 |
|
[EDO]A:520 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
13862 |
84.6 |
2.8 |
0.284 |
0 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:521 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
13862 |
82.5 |
2.4 |
0.241 |
1 |
0 |
0 |
0.000 |
32 |
|
[EDO]A:510 |
4 |
1 |
180 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
13862 |
81.3 |
2.0 |
0.236 |
1 |
0 |
0 |
0.000 |
33 |
|
[EDO]A:516 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
13862 |
81.0 |
2.0 |
0.273 |
1 |
0 |
0 |
0.000 |
34 |
|
[EDO]A:509 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
13862 |
79.2 |
1.5 |
0.202 |
0 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:507 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
13862 |
78.0 |
1.9 |
0.250 |
1 |
0 |
0 |
0.000 |
36 |
|
A |
7 |
3 |
13862 |
f |
[PGE]A:535 |
x-1,y+1,z |
1_465 |
7 |
1 |
320 |
77.0 |
1.0 |
0.119 |
0 |
0 |
0 |
0.000 |
37 |
|
A |
13 |
5 |
13862 |
f |
[EDO]A:518 |
x-1,y,z |
1_455 |
4 |
1 |
181 |
76.8 |
1.6 |
0.231 |
0 |
0 |
0 |
0.000 |
38 |
|
[EDO]A:515 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
13862 |
75.9 |
1.6 |
0.700 |
0 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:508 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
13862 |
74.6 |
1.8 |
0.790 |
1 |
0 |
0 |
0.000 |
40 |
|
[EDO]A:524 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
13862 |
74.1 |
2.4 |
0.290 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]A:510 |
4 |
1 |
180 |
f |
A |
x,y,z-1 |
1_554 |
12 |
5 |
13862 |
70.4 |
2.0 |
0.867 |
2 |
0 |
0 |
0.000 |
42 |
|
[EDO]A:514 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
13862 |
68.0 |
1.6 |
0.820 |
3 |
0 |
0 |
0.000 |
43 |
|
[MG]A:506 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
13862 |
63.1 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
|
[EDO]A:517 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
13862 |
62.6 |
1.4 |
0.168 |
0 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:528 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
13862 |
61.9 |
2.2 |
0.305 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
9 |
2 |
13862 |
◊ |
[DMS]A:504 |
x-1,y+1,z |
1_465 |
3 |
1 |
207 |
59.2 |
2.4 |
0.526 |
0 |
0 |
0 |
0.000 |
47 |
|
[DMS]A:503 |
4 |
1 |
208 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
5 |
13862 |
57.5 |
1.2 |
0.310 |
0 |
0 |
0 |
0.000 |
48 |
|
[DMS]A:503 |
4 |
1 |
208 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
13862 |
53.6 |
1.1 |
0.393 |
0 |
0 |
0 |
0.000 |
49 |
|
A |
10 |
3 |
13862 |
f |
[EDO]A:517 |
x-1,y,z |
1_455 |
4 |
1 |
183 |
51.7 |
0.8 |
0.735 |
0 |
0 |
0 |
0.000 |
50 |
|
A |
6 |
2 |
13862 |
f |
[EDO]A:528 |
x-1,y,z |
1_455 |
4 |
1 |
184 |
48.6 |
1.2 |
0.709 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
8 |
3 |
13862 |
x |
A |
x,y-1,z |
1_545 |
6 |
3 |
13862 |
48.4 |
0.4 |
0.623 |
0 |
0 |
0 |
0.000 |
52 |
|
[PEG]A:534 |
5 |
1 |
252 |
◊ |
A |
x,y-1,z+1 |
1_546 |
7 |
2 |
13862 |
47.6 |
1.3 |
0.298 |
0 |
0 |
0 |
0.000 |
53 |
|
[PGE]A:536 |
5 |
1 |
332 |
f |
[DMS]A:503 |
x,y,z |
1_555 |
3 |
1 |
208 |
44.6 |
2.9 |
0.220 |
0 |
0 |
0 |
0.000 |
54 |
|
[PGE]A:536 |
4 |
1 |
332 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
13862 |
44.4 |
1.4 |
0.330 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
6 |
3 |
13862 |
◊ |
[EDO]A:524 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
42.6 |
0.6 |
0.648 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]A:511 |
4 |
1 |
183 |
◊ |
A |
x-1,y+1,z |
1_465 |
4 |
2 |
13862 |
42.4 |
1.6 |
0.907 |
0 |
0 |
0 |
0.000 |
57 |
|
[EDO]A:527 |
3 |
1 |
184 |
f |
[DMS]A:505 |
x,y,z |
1_555 |
3 |
1 |
207 |
38.6 |
1.9 |
0.451 |
0 |
0 |
0 |
0.000 |
58 |
|
[DMS]A:502 |
3 |
1 |
207 |
f |
[GTR]A:501 |
x,y,z |
1_555 |
6 |
1 |
307 |
38.1 |
-0.5 |
0.317 |
0 |
0 |
0 |
0.000 |
59 |
|
[PGE]A:536 |
4 |
1 |
332 |
f |
[EDO]A:518 |
x-1,y,z |
1_455 |
2 |
1 |
181 |
38.0 |
1.8 |
0.227 |
0 |
0 |
0 |
0.000 |
60 |
|
[DMS]A:505 |
3 |
1 |
207 |
f |
[DMS]A:502 |
x,y,z |
1_555 |
3 |
1 |
207 |
37.0 |
1.7 |
0.203 |
0 |
0 |
0 |
0.000 |
61 |
|
[PGE]A:538 |
8 |
1 |
333 |
◊ |
A |
x,y-1,z+1 |
1_546 |
3 |
1 |
13862 |
36.4 |
1.0 |
0.098 |
0 |
0 |
0 |
0.000 |
62 |
|
[EDO]A:518 |
3 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13862 |
34.5 |
1.2 |
0.275 |
0 |
0 |
0 |
0.000 |
63 |
|
[DMS]A:503 |
3 |
1 |
208 |
f |
[PEG]A:532 |
x-1,y,z |
1_455 |
4 |
1 |
261 |
34.2 |
1.6 |
0.192 |
0 |
0 |
0 |
0.000 |
64 |
|
[PEG]A:532 |
2 |
1 |
261 |
f |
[EDO]A:517 |
x,y,z |
1_555 |
3 |
1 |
183 |
32.4 |
1.9 |
0.589 |
0 |
0 |
0 |
0.000 |
65 |
|
A |
3 |
1 |
13862 |
f |
[EDO]A:515 |
x-1,y+1,z |
1_465 |
2 |
1 |
182 |
32.0 |
0.5 |
0.448 |
0 |
0 |
0 |
0.000 |
66 |
|
A |
5 |
3 |
13862 |
f |
[PEG]A:533 |
x,y-1,z+1 |
1_546 |
3 |
1 |
251 |
31.5 |
0.9 |
0.403 |
0 |
0 |
0 |
0.000 |
67 |
|
A |
5 |
1 |
13862 |
f |
[EDO]A:507 |
x-1,y+1,z-1 |
1_464 |
4 |
1 |
184 |
29.5 |
0.9 |
0.792 |
0 |
0 |
0 |
0.000 |
68 |
|
[EDO]A:526 |
2 |
1 |
185 |
f |
[DMS]A:504 |
x-1,y+1,z |
1_465 |
2 |
1 |
207 |
19.6 |
0.9 |
0.661 |
0 |
0 |
0 |
0.000 |
69 |
|
[PGE]A:537 |
2 |
1 |
326 |
◊ |
[EDO]A:516 |
x,y,z |
1_555 |
1 |
1 |
185 |
15.4 |
0.7 |
0.480 |
0 |
0 |
0 |
0.000 |
70 |
|
[EDO]A:527 |
2 |
1 |
184 |
f |
[DMS]A:502 |
x,y,z |
1_555 |
2 |
1 |
207 |
15.3 |
0.7 |
0.661 |
0 |
0 |
0 |
0.000 |
71 |
|
[PEG]A:531 |
3 |
1 |
241 |
f |
[EDO]A:517 |
x-1,y,z |
1_455 |
2 |
1 |
183 |
15.0 |
0.7 |
0.301 |
0 |
0 |
0 |
0.000 |
72 |
|
[PEG]A:534 |
2 |
1 |
252 |
f |
A |
x,y-1,z |
1_545 |
2 |
1 |
13862 |
14.8 |
0.9 |
0.528 |
0 |
0 |
0 |
0.000 |
73 |
|
[PGE]A:536 |
2 |
1 |
332 |
f |
[EDO]A:514 |
x,y,z |
1_555 |
1 |
1 |
182 |
13.9 |
0.1 |
0.300 |
0 |
0 |
0 |
0.000 |
74 |
|
[PGE]A:538 |
2 |
1 |
333 |
f |
[EDO]A:507 |
x,y,z |
1_555 |
1 |
1 |
184 |
12.0 |
0.5 |
0.436 |
0 |
0 |
0 |
0.000 |
75 |
|
[EDO]A:511 |
2 |
1 |
183 |
f |
[PGE]A:535 |
x-1,y+1,z |
1_465 |
2 |
1 |
320 |
10.0 |
-0.0 |
0.265 |
0 |
0 |
0 |
0.000 |
76 |
|
[EDO]A:514 |
1 |
1 |
182 |
f |
[EDO]A:518 |
x-1,y,z |
1_455 |
1 |
1 |
181 |
9.6 |
0.2 |
1.000 |
0 |
0 |
0 |
0.000 |
77 |
|
A |
1 |
1 |
13862 |
f |
[PGE]A:538 |
x-1,y+1,z-1 |
1_464 |
2 |
1 |
333 |
7.3 |
0.1 |
0.220 |
0 |
0 |
0 |
0.000 |
78 |
|
[PGE]A:535 |
2 |
1 |
320 |
f |
[EDO]A:530 |
x,y,z |
1_555 |
1 |
1 |
184 |
7.1 |
0.5 |
0.458 |
0 |
0 |
0 |
0.000 |
79 |
|
[DMS]A:503 |
2 |
1 |
208 |
f |
[EDO]A:517 |
x-1,y,z |
1_455 |
3 |
1 |
183 |
7.1 |
0.3 |
0.661 |
0 |
0 |
0 |
0.000 |
80 |
|
A |
1 |
1 |
13862 |
f |
[EDO]A:519 |
x-1,y,z |
1_455 |
1 |
1 |
182 |
6.3 |
0.3 |
0.915 |
0 |
0 |
0 |
0.000 |
81 |
|
[EDO]A:520 |
2 |
1 |
181 |
f |
A |
x-1,y+1,z |
1_465 |
1 |
1 |
13862 |
5.4 |
0.2 |
0.900 |
0 |
0 |
0 |
0.000 |
82 |
|
[EDO]A:529 |
1 |
1 |
183 |
f |
[EDO]A:515 |
x-1,y+1,z |
1_465 |
1 |
1 |
182 |
4.7 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
83 |
|
[EDO]A:516 |
1 |
1 |
185 |
f |
[GTR]A:501 |
x,y,z |
1_555 |
1 |
1 |
307 |
4.3 |
-0.2 |
0.555 |
0 |
0 |
0 |
0.000 |
84 |
|
A |
1 |
1 |
13862 |
f |
[EDO]A:525 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
3.6 |
0.1 |
0.876 |
0 |
0 |
0 |
0.000 |
85 |
|
[PGE]A:537 |
1 |
1 |
326 |
f |
A |
x,y,z-1 |
1_554 |
2 |
1 |
13862 |
3.5 |
0.1 |
0.385 |
0 |
0 |
0 |
0.000 |
86 |
|
A |
1 |
1 |
13862 |
f |
[EDO]A:524 |
x,y,z-1 |
1_554 |
1 |
1 |
184 |
3.4 |
0.2 |
0.880 |
0 |
0 |
0 |
0.000 |
87 |
|
[PGE]A:535 |
1 |
1 |
320 |
f |
[EDO]A:515 |
x,y,z |
1_555 |
1 |
1 |
182 |
0.3 |
0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
88 |
|
A |
1 |
1 |
13862 |
f |
[PEG]A:532 |
x-1,y,z |
1_455 |
1 |
1 |
261 |
0.3 |
0.0 |
0.429 |
0 |
0 |
0 |
0.000 |
|