| ## |
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 |
470 |
115 |
46702 |
◊ |
A |
x,y,z |
1_555 |
504 |
126 |
31454 |
4818.1 |
-60.9 |
0.001 |
59 |
15 |
1 |
1.000 |
2 |
|
A |
122 |
41 |
31454 |
◊ |
A |
-x+1,y,-z |
2_655 |
120 |
39 |
31454 |
1218.9 |
-3.8 |
0.595 |
10 |
4 |
0 |
0.000 |
3 |
|
B |
74 |
23 |
46702 |
x |
B |
x-1/2,-y+1,-z+1/2 |
4_465 |
81 |
24 |
46702 |
659.9 |
1.0 |
0.730 |
6 |
5 |
0 |
0.000 |
4 |
|
C |
67 |
13 |
8488 |
◊ |
B |
x,y,z |
1_555 |
75 |
24 |
46702 |
633.0 |
-3.1 |
0.573 |
6 |
9 |
0 |
0.145 |
5 |
|
C |
57 |
20 |
8488 |
◊ |
A |
x,y,z |
1_555 |
63 |
22 |
31454 |
582.8 |
-6.3 |
0.314 |
9 |
0 |
0 |
0.208 |
6 |
|
B |
52 |
15 |
46702 |
x |
B |
x,y-1,z |
1_545 |
55 |
16 |
46702 |
440.2 |
-5.3 |
0.175 |
5 |
0 |
0 |
0.000 |
7 |
|
C |
43 |
15 |
8488 |
◊ |
A |
x-1,y,z |
1_455 |
45 |
13 |
31454 |
341.9 |
-0.2 |
0.717 |
1 |
2 |
0 |
0.000 |
8 |
|
B |
28 |
12 |
46702 |
◊ |
A |
x-1/2,-y+1,-z+1/2 |
4_465 |
24 |
6 |
31454 |
243.0 |
-1.5 |
0.448 |
2 |
0 |
0 |
0.000 |
9 |
|
B |
24 |
7 |
46702 |
x |
B |
x-1/2,-y,-z+1/2 |
4_455 |
23 |
7 |
46702 |
200.8 |
1.0 |
0.589 |
1 |
0 |
0 |
0.000 |
10 |
|
[NAG]A:1063 |
10 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
20 |
8 |
31454 |
134.4 |
4.0 |
0.528 |
0 |
0 |
0 |
0.000 |
11 |
|
[EDO]B:2681 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
46702 |
110.3 |
4.2 |
0.533 |
2 |
0 |
0 |
0.000 |
12 |
|
[NAG]B:1939 |
10 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
14 |
6 |
46702 |
109.6 |
2.4 |
0.363 |
0 |
0 |
0 |
0.000 |
13 |
|
[EDO]B:2684 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
46702 |
108.6 |
2.9 |
0.381 |
2 |
0 |
0 |
0.000 |
14 |
|
[EDO]B:2685 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
46702 |
107.8 |
2.1 |
0.372 |
1 |
0 |
0 |
0.000 |
15 |
|
[EDO]B:2690 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
23 |
11 |
46702 |
106.2 |
3.6 |
0.635 |
4 |
0 |
0 |
0.000 |
16 |
|
[EDO]B:2671 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
46702 |
105.5 |
3.2 |
0.479 |
3 |
0 |
0 |
0.000 |
17 |
|
[EDO]B:2691 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
22 |
8 |
46702 |
102.9 |
2.6 |
0.450 |
2 |
0 |
0 |
0.000 |
18 |
|
[EDO]A:1668 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
31454 |
101.1 |
2.8 |
0.485 |
3 |
0 |
0 |
0.000 |
19 |
|
[EDO]B:2678 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
46702 |
97.1 |
2.5 |
0.401 |
2 |
0 |
0 |
0.000 |
20 |
|
[EDO]B:2665 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
46702 |
95.5 |
2.7 |
0.281 |
3 |
0 |
0 |
0.000 |
21 |
|
[EDO]B:2666 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
46702 |
93.7 |
1.8 |
0.326 |
1 |
0 |
0 |
0.000 |
22 |
|
[EDO]B:2664 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
46702 |
93.3 |
3.5 |
0.530 |
2 |
0 |
0 |
0.000 |
23 |
|
[EDO]B:2675 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
46702 |
93.3 |
1.8 |
0.355 |
2 |
0 |
0 |
0.000 |
24 |
|
[EDO]B:2667 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
46702 |
91.4 |
2.7 |
0.439 |
3 |
0 |
0 |
0.000 |
25 |
|
[EDO]B:2680 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
46702 |
91.2 |
2.9 |
0.507 |
1 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:2682 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
46702 |
90.3 |
2.3 |
0.395 |
2 |
0 |
0 |
0.000 |
27 |
|
[EDO]A:1667 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
31454 |
88.5 |
2.7 |
0.494 |
1 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:2668 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
46702 |
87.7 |
2.3 |
0.405 |
3 |
0 |
0 |
0.000 |
29 |
|
[EDO]B:2672 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
46702 |
86.2 |
3.0 |
0.309 |
1 |
0 |
0 |
0.000 |
30 |
|
B |
19 |
6 |
46702 |
◊ |
[EDO]B:2687 |
x,y-1,z |
1_545 |
4 |
1 |
185 |
82.6 |
2.5 |
0.297 |
1 |
0 |
0 |
0.000 |
31 |
|
[EDO]A:1666 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
31454 |
81.8 |
3.5 |
0.344 |
2 |
0 |
0 |
0.000 |
32 |
|
[EDO]B:2686 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
46702 |
81.7 |
2.5 |
0.297 |
2 |
0 |
0 |
0.000 |
33 |
|
[EDO]B:2683 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
46702 |
80.2 |
1.4 |
0.218 |
4 |
0 |
0 |
0.012 |
34 |
|
[EDO]B:2673 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
46702 |
79.5 |
2.2 |
0.274 |
3 |
0 |
0 |
0.000 |
35 |
|
[EDO]B:2674 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
46702 |
78.6 |
2.0 |
0.262 |
1 |
0 |
0 |
0.000 |
36 |
|
[EDO]B:2683 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
31454 |
75.6 |
1.5 |
0.296 |
0 |
0 |
0 |
0.000 |
37 |
|
[EDO]B:2679 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
46702 |
74.3 |
2.1 |
0.268 |
1 |
0 |
0 |
0.000 |
38 |
|
[EDO]B:2689 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
46702 |
72.1 |
1.8 |
0.235 |
1 |
0 |
0 |
0.000 |
39 |
|
[EDO]B:2670 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
46702 |
70.9 |
2.4 |
0.320 |
3 |
0 |
0 |
0.000 |
40 |
|
[NAG]B:1940 |
9 |
1 |
361 |
cf |
[NAG]B:1939 |
x,y,z |
1_555 |
8 |
1 |
359 |
70.1 |
1.2 |
0.074 |
0 |
0 |
0 |
0.000 |
41 |
|
[EDO]B:2687 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
46702 |
69.4 |
1.8 |
0.229 |
1 |
0 |
0 |
0.000 |
42 |
|
[NAG]A:1064 |
9 |
1 |
364 |
cf |
[NAG]A:1063 |
x,y,z |
1_555 |
7 |
1 |
353 |
67.9 |
0.9 |
0.053 |
0 |
0 |
0 |
0.000 |
43 |
|
[EDO]B:2677 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
46702 |
67.7 |
1.7 |
0.794 |
1 |
0 |
0 |
0.000 |
44 |
|
B |
7 |
4 |
46702 |
◊ |
[EDO]B:2688 |
x-1/2,-y+1,-z+1/2 |
4_465 |
4 |
1 |
185 |
66.3 |
2.5 |
0.911 |
1 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:1669 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
31454 |
65.8 |
1.9 |
0.799 |
1 |
0 |
0 |
0.000 |
46 |
|
[BMA]B:1941 |
6 |
1 |
291 |
cf |
[NAG]B:1940 |
x,y,z |
1_555 |
6 |
1 |
361 |
64.7 |
1.3 |
0.131 |
1 |
0 |
0 |
0.000 |
47 |
|
[EDO]B:2676 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
46702 |
63.3 |
1.6 |
0.209 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]B:2676 |
4 |
1 |
184 |
f |
B |
x,y-1,z |
1_545 |
8 |
4 |
46702 |
60.9 |
1.6 |
0.893 |
2 |
0 |
0 |
0.000 |
49 |
|
[EDO]B:2669 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
46702 |
60.3 |
1.4 |
0.704 |
1 |
0 |
0 |
0.000 |
50 |
|
[EDO]A:1667 |
4 |
1 |
184 |
f |
[NAG]A:1063 |
x,y,z |
1_555 |
7 |
1 |
353 |
58.0 |
2.2 |
0.370 |
2 |
0 |
0 |
0.000 |
51 |
|
[EDO]B:2670 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
31454 |
56.3 |
1.4 |
0.757 |
1 |
0 |
0 |
0.000 |
52 |
|
[EDO]B:2688 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
46702 |
56.1 |
1.7 |
0.825 |
2 |
0 |
0 |
0.000 |
53 |
|
C |
4 |
2 |
8488 |
◊ |
B |
-x,y,-z |
2_555 |
3 |
1 |
46702 |
41.0 |
-0.2 |
0.298 |
0 |
0 |
0 |
0.000 |
54 |
|
[EDO]B:2689 |
3 |
1 |
185 |
f |
[EDO]B:2675 |
x,y,z |
1_555 |
3 |
1 |
184 |
38.4 |
1.9 |
1.000 |
0 |
0 |
0 |
0.000 |
55 |
|
[EDO]B:2679 |
3 |
1 |
186 |
◊ |
[EDO]B:2678 |
x,y,z |
1_555 |
3 |
1 |
185 |
35.4 |
1.7 |
1.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[EDO]B:2691 |
4 |
1 |
185 |
f |
[EDO]B:2672 |
x,y,z |
1_555 |
2 |
1 |
184 |
34.8 |
1.8 |
1.000 |
1 |
0 |
0 |
0.000 |
57 |
|
[EDO]B:2670 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
5 |
1 |
8488 |
34.1 |
0.6 |
0.395 |
0 |
0 |
0 |
0.000 |
58 |
|
[EDO]B:2676 |
3 |
1 |
184 |
f |
[EDO]B:2667 |
x,y,z |
1_555 |
2 |
1 |
185 |
33.1 |
2.0 |
0.707 |
0 |
0 |
0 |
0.000 |
59 |
|
[EDO]B:2669 |
3 |
1 |
185 |
◊ |
[EDO]B:2668 |
x,y,z |
1_555 |
2 |
1 |
184 |
32.5 |
1.8 |
0.707 |
0 |
0 |
0 |
0.000 |
60 |
|
[EDO]B:2679 |
3 |
1 |
186 |
f |
B |
x-1/2,-y,-z+1/2 |
4_455 |
2 |
1 |
46702 |
30.4 |
1.0 |
0.943 |
1 |
0 |
0 |
0.000 |
61 |
|
[EDO]B:2674 |
3 |
1 |
185 |
f |
B |
x,y-1,z |
1_545 |
6 |
1 |
46702 |
29.3 |
0.4 |
0.560 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]B:1939 |
4 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
31454 |
27.8 |
1.1 |
0.458 |
0 |
0 |
0 |
0.000 |
63 |
|
B |
3 |
1 |
46702 |
◊ |
A |
-x+1,y,-z |
2_655 |
6 |
2 |
31454 |
26.1 |
-0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
64 |
|
[EDO]B:2668 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
31454 |
20.2 |
-0.0 |
0.458 |
0 |
0 |
0 |
0.001 |
65 |
|
[EDO]B:2691 |
3 |
1 |
185 |
f |
[EDO]B:2690 |
x,y,z |
1_555 |
1 |
1 |
184 |
18.9 |
0.7 |
1.000 |
1 |
0 |
0 |
0.000 |
66 |
|
[EDO]B:2685 |
1 |
1 |
185 |
f |
[EDO]B:2667 |
x,y,z |
1_555 |
1 |
1 |
185 |
16.4 |
0.7 |
0.707 |
0 |
0 |
0 |
0.000 |
67 |
|
[EDO]B:2685 |
2 |
1 |
185 |
f |
[EDO]B:2676 |
x,y,z |
1_555 |
2 |
1 |
184 |
13.7 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[NAG]A:1064 |
2 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
31454 |
11.6 |
0.8 |
0.473 |
0 |
0 |
0 |
0.000 |
69 |
|
[EDO]B:2681 |
1 |
1 |
185 |
f |
[EDO]B:2680 |
x,y,z |
1_555 |
1 |
1 |
185 |
9.4 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
70 |
|
C |
2 |
1 |
8488 |
f |
[EDO]A:1669 |
x-1,y,z |
1_455 |
2 |
1 |
186 |
9.3 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
71 |
|
[EDO]A:1667 |
1 |
1 |
184 |
f |
[NAG]A:1064 |
x,y,z |
1_555 |
3 |
1 |
364 |
8.5 |
0.1 |
0.409 |
0 |
0 |
0 |
0.000 |
72 |
|
[NAG]B:1940 |
2 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
31454 |
4.3 |
0.1 |
0.403 |
0 |
0 |
0 |
0.000 |
73 |
|
B |
1 |
1 |
46702 |
f |
[EDO]B:2672 |
x-1/2,-y,-z+1/2 |
4_455 |
1 |
1 |
184 |
3.0 |
0.1 |
0.872 |
0 |
0 |
0 |
0.000 |
74 |
|
[EDO]B:2685 |
1 |
1 |
185 |
f |
B |
x,y-1,z |
1_545 |
1 |
1 |
46702 |
1.4 |
0.1 |
0.869 |
0 |
0 |
0 |
0.000 |
75 |
|
C |
1 |
1 |
8488 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
31454 |
1.0 |
-0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
76 |
|
[EDO]B:2667 |
1 |
1 |
185 |
f |
B |
x,y-1,z |
1_545 |
1 |
1 |
46702 |
0.8 |
0.0 |
0.715 |
0 |
0 |
0 |
0.000 |
|