## |
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 |
|
E |
152 |
38 |
19942 |
◊ |
E |
-x+2,-x+y+1,-z+1/3 |
6_765 |
148 |
37 |
19942 |
1433.7 |
-13.9 |
0.215 |
20 |
6 |
0 |
1.000 |
2 |
|
F |
147 |
37 |
19862 |
◊ |
F |
-x+2,-x+y+1,-z+1/3 |
6_765 |
147 |
37 |
19862 |
1433.1 |
-14.0 |
0.196 |
16 |
6 |
0 |
1.000 |
3 |
|
D |
146 |
37 |
19920 |
◊ |
C |
x,y,z |
1_555 |
147 |
37 |
19622 |
1389.7 |
-15.0 |
0.161 |
16 |
6 |
0 |
1.000 |
4 |
|
B |
148 |
36 |
19879 |
◊ |
A |
x,y,z |
1_555 |
145 |
35 |
19813 |
1382.0 |
-14.5 |
0.170 |
18 |
6 |
0 |
1.000 |
Average: |
1409.6 |
-14.3 |
0.186 |
18 |
6 |
0 |
1.000 |
2 |
5 |
|
C |
79 |
26 |
19622 |
◊ |
A |
x,y,z |
1_555 |
91 |
29 |
19813 |
752.5 |
-4.4 |
0.502 |
13 |
8 |
0 |
0.779 |
6 |
|
F |
82 |
25 |
19862 |
◊ |
E |
x,y-1,z |
1_545 |
73 |
25 |
19942 |
698.4 |
-3.5 |
0.552 |
12 |
7 |
0 |
0.779 |
7 |
|
D |
76 |
27 |
19920 |
◊ |
B |
x,y,z |
1_555 |
78 |
26 |
19879 |
696.2 |
-2.8 |
0.598 |
12 |
8 |
0 |
0.779 |
Average: |
715.7 |
-3.6 |
0.551 |
12 |
8 |
0 |
0.779 |
3 |
8 |
|
C |
55 |
16 |
19622 |
◊ |
B |
x,y,z |
1_555 |
51 |
15 |
19879 |
442.4 |
-4.0 |
0.410 |
4 |
0 |
0 |
0.421 |
9 |
|
D |
51 |
14 |
19920 |
◊ |
A |
x,y,z |
1_555 |
52 |
15 |
19813 |
432.2 |
-4.6 |
0.339 |
4 |
0 |
0 |
0.421 |
10 |
|
F |
43 |
14 |
19862 |
◊ |
E |
-x+2,-x+y,-z+1/3 |
6_755 |
49 |
16 |
19942 |
423.8 |
-4.0 |
0.360 |
3 |
0 |
0 |
0.421 |
Average: |
432.8 |
-4.2 |
0.370 |
4 |
0 |
0 |
0.421 |
4 |
11 |
|
F |
41 |
13 |
19862 |
◊ |
E |
y,x-1,-z |
4_545 |
41 |
14 |
19942 |
371.4 |
-1.7 |
0.569 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
42 |
14 |
19813 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
46 |
13 |
19920 |
371.3 |
-2.4 |
0.505 |
3 |
0 |
0 |
0.000 |
13 |
|
C |
43 |
13 |
19622 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
45 |
13 |
19879 |
355.2 |
-2.8 |
0.475 |
1 |
0 |
0 |
0.000 |
Average: |
366.0 |
-2.3 |
0.516 |
2 |
0 |
0 |
0.000 |
5 |
14 |
|
[GDL]D:600 |
15 |
1 |
367 |
◊ |
D |
x,y,z |
1_555 |
41 |
13 |
19920 |
229.7 |
5.0 |
0.515 |
5 |
0 |
0 |
0.000 |
15 |
|
[GDL]C:600 |
15 |
1 |
368 |
◊ |
C |
x,y,z |
1_555 |
39 |
13 |
19622 |
228.9 |
5.0 |
0.511 |
5 |
0 |
0 |
0.000 |
16 |
|
[GDL]B:600 |
15 |
1 |
368 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
19879 |
228.4 |
5.2 |
0.507 |
5 |
0 |
0 |
0.000 |
17 |
|
[GDL]F:600 |
15 |
1 |
367 |
◊ |
F |
x,y,z |
1_555 |
41 |
13 |
19862 |
228.1 |
4.1 |
0.420 |
5 |
0 |
0 |
0.000 |
18 |
|
[GDL]A:600 |
15 |
1 |
367 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
19813 |
227.8 |
4.9 |
0.495 |
5 |
0 |
0 |
0.000 |
19 |
|
[GDL]E:600 |
15 |
1 |
367 |
◊ |
E |
x,y,z |
1_555 |
39 |
13 |
19942 |
227.2 |
5.1 |
0.519 |
5 |
0 |
0 |
0.000 |
Average: |
228.4 |
4.9 |
0.495 |
5 |
0 |
0 |
0.000 |
6 |
20 |
|
[NAG]F:702 |
12 |
1 |
361 |
cf |
F |
x,y,z |
1_555 |
20 |
9 |
19862 |
179.1 |
4.1 |
0.484 |
0 |
0 |
0 |
0.000 |
7 |
21 |
|
[NAG]C:700 |
12 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
20 |
7 |
19622 |
154.3 |
2.9 |
0.352 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]E:700 |
12 |
1 |
358 |
cf |
E |
x,y,z |
1_555 |
21 |
7 |
19942 |
153.5 |
2.7 |
0.349 |
0 |
0 |
0 |
0.000 |
23 |
|
[NAG]F:700 |
12 |
1 |
361 |
cf |
F |
x,y,z |
1_555 |
19 |
7 |
19862 |
152.5 |
2.9 |
0.331 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]D:700 |
11 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
21 |
7 |
19920 |
151.7 |
2.5 |
0.342 |
0 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:700 |
12 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
21 |
7 |
19879 |
147.8 |
2.7 |
0.315 |
1 |
0 |
0 |
0.000 |
26 |
|
[NAG]A:700 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
19 |
7 |
19813 |
142.9 |
2.4 |
0.317 |
0 |
0 |
0 |
0.000 |
Average: |
150.5 |
2.7 |
0.334 |
0 |
0 |
0 |
0.000 |
8 |
27 |
|
E |
12 |
3 |
19942 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
19879 |
120.8 |
0.6 |
0.739 |
3 |
4 |
0 |
0.000 |
9 |
28 |
|
C |
14 |
6 |
19622 |
◊ |
A |
-x+1,-x+y,-z+1/3 |
6_655 |
12 |
5 |
19813 |
114.9 |
-2.1 |
0.262 |
0 |
0 |
0 |
0.000 |
10 |
29 |
|
[EDO]B:802 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
20 |
9 |
19879 |
108.7 |
3.4 |
0.505 |
4 |
0 |
0 |
0.000 |
30 |
|
[EDO]E:802 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
18 |
9 |
19942 |
105.8 |
3.5 |
0.507 |
5 |
0 |
0 |
0.000 |
Average: |
107.2 |
3.5 |
0.506 |
5 |
0 |
0 |
0.000 |
11 |
31 |
|
[EDO]C:800 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
19920 |
107.6 |
3.0 |
0.408 |
2 |
0 |
0 |
0.000 |
12 |
32 |
|
[EDO]E:800 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
19942 |
106.5 |
2.9 |
0.397 |
2 |
0 |
0 |
0.000 |
13 |
33 |
|
[EDO]F:802 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
19 |
9 |
19862 |
106.3 |
3.5 |
0.505 |
5 |
0 |
0 |
0.000 |
14 |
34 |
|
[EDO]C:802 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
19920 |
106.1 |
3.5 |
0.506 |
5 |
0 |
0 |
0.000 |
35 |
|
[EDO]A:802 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
19813 |
105.4 |
3.5 |
0.503 |
5 |
0 |
0 |
0.000 |
Average: |
105.8 |
3.5 |
0.504 |
5 |
0 |
0 |
0.000 |
15 |
36 |
|
[EDO]A:800 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
19813 |
105.4 |
2.9 |
0.401 |
2 |
0 |
0 |
0.000 |
16 |
37 |
|
[EDO]F:800 |
4 |
1 |
182 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
19862 |
104.6 |
2.5 |
0.377 |
2 |
0 |
0 |
0.000 |
17 |
38 |
|
[EDO]C:801 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
19920 |
99.9 |
2.8 |
0.428 |
0 |
0 |
0 |
0.000 |
18 |
39 |
|
[EDO]B:801 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
19879 |
99.8 |
2.6 |
0.429 |
2 |
0 |
0 |
0.000 |
19 |
40 |
|
[EDO]F:801 |
4 |
1 |
184 |
◊ |
F |
x,y,z |
1_555 |
21 |
8 |
19862 |
99.5 |
2.8 |
0.441 |
2 |
0 |
0 |
0.000 |
20 |
41 |
|
[NAG]E:702 |
8 |
1 |
364 |
cf |
E |
x,y,z |
1_555 |
8 |
5 |
19942 |
98.8 |
2.7 |
0.473 |
0 |
0 |
0 |
0.000 |
42 |
|
[NAG]A:702 |
8 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
19813 |
97.9 |
3.0 |
0.533 |
0 |
0 |
0 |
0.000 |
43 |
|
[NAG]B:702 |
8 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
7 |
4 |
19879 |
97.7 |
3.0 |
0.505 |
0 |
0 |
0 |
0.000 |
Average: |
98.1 |
2.9 |
0.504 |
0 |
0 |
0 |
0.000 |
21 |
44 |
|
[EDO]E:801 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
19 |
7 |
19942 |
98.0 |
2.3 |
0.446 |
3 |
0 |
0 |
0.000 |
22 |
45 |
|
[EDO]A:801 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
19813 |
96.5 |
3.0 |
0.433 |
2 |
0 |
0 |
0.000 |
23 |
46 |
|
[EDO]B:800 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
19879 |
95.2 |
2.5 |
0.418 |
2 |
0 |
0 |
0.000 |
24 |
47 |
|
[NAG]D:701 |
8 |
1 |
355 |
cf |
[NAG]D:700 |
x,y,z |
1_555 |
7 |
1 |
360 |
72.2 |
1.8 |
0.110 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAG]B:701 |
8 |
1 |
355 |
cf |
[NAG]B:700 |
x,y,z |
1_555 |
6 |
1 |
358 |
70.1 |
1.8 |
0.111 |
0 |
0 |
0 |
0.000 |
49 |
|
[NAG]F:701 |
9 |
1 |
354 |
cf |
[NAG]F:700 |
x,y,z |
1_555 |
6 |
1 |
361 |
65.3 |
1.2 |
0.080 |
1 |
0 |
0 |
0.000 |
50 |
|
[NAG]E:701 |
9 |
1 |
355 |
cf |
[NAG]E:700 |
x,y,z |
1_555 |
6 |
1 |
358 |
64.4 |
1.3 |
0.088 |
0 |
0 |
0 |
0.000 |
Average: |
68.0 |
1.5 |
0.097 |
0 |
0 |
0 |
0.000 |
25 |
51 |
|
[NAG]C:701 |
8 |
1 |
355 |
cf |
[NAG]C:700 |
x,y,z |
1_555 |
6 |
1 |
362 |
71.8 |
1.8 |
0.118 |
0 |
0 |
0 |
0.000 |
26 |
52 |
|
[NAG]A:701 |
9 |
1 |
355 |
cf |
[NAG]A:700 |
x,y,z |
1_555 |
6 |
1 |
359 |
69.1 |
1.7 |
0.093 |
0 |
0 |
0 |
0.000 |
27 |
53 |
|
[NAG]C:703 |
8 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
19622 |
64.3 |
2.0 |
0.313 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]F:703 |
7 |
1 |
363 |
cf |
F |
x,y,z |
1_555 |
5 |
1 |
19862 |
57.5 |
1.7 |
0.402 |
0 |
0 |
0 |
0.000 |
Average: |
60.9 |
1.9 |
0.358 |
0 |
0 |
0 |
0.000 |
28 |
55 |
|
E |
7 |
5 |
19942 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
19813 |
61.5 |
-0.5 |
0.536 |
0 |
0 |
0 |
0.000 |
29 |
56 |
|
D |
7 |
2 |
19920 |
◊ |
F |
y,x-1,-z |
4_545 |
10 |
4 |
19862 |
58.1 |
-0.6 |
0.477 |
0 |
0 |
0 |
0.000 |
30 |
57 |
|
[EDO]B:800 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
19942 |
44.5 |
1.4 |
0.917 |
0 |
0 |
0 |
0.000 |
31 |
58 |
|
[EDO]B:801 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
19920 |
37.7 |
0.0 |
0.366 |
0 |
0 |
0 |
0.000 |
32 |
59 |
|
[EDO]F:801 |
4 |
1 |
184 |
f |
E |
x,y-1,z |
1_545 |
2 |
1 |
19942 |
37.3 |
0.2 |
0.251 |
0 |
0 |
0 |
0.000 |
33 |
60 |
|
[NAG]C:701 |
6 |
1 |
355 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
19622 |
36.8 |
0.6 |
0.246 |
0 |
0 |
0 |
0.000 |
34 |
61 |
|
[EDO]A:801 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
19622 |
36.3 |
0.1 |
0.447 |
0 |
0 |
0 |
0.000 |
35 |
62 |
|
[EDO]C:801 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
19879 |
33.0 |
-0.0 |
0.400 |
0 |
0 |
0 |
0.006 |
36 |
63 |
|
[EDO]E:802 |
2 |
1 |
185 |
f |
E |
-x+2,-x+y+1,-z+1/3 |
6_765 |
4 |
1 |
19942 |
28.6 |
0.3 |
0.506 |
0 |
0 |
0 |
0.000 |
64 |
|
[EDO]C:802 |
2 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
19622 |
27.7 |
0.2 |
0.504 |
0 |
0 |
0 |
0.000 |
65 |
|
[EDO]F:802 |
2 |
1 |
185 |
f |
F |
-x+2,-x+y+1,-z+1/3 |
6_765 |
3 |
1 |
19862 |
27.4 |
0.2 |
0.451 |
0 |
0 |
0 |
0.000 |
Average: |
27.9 |
0.2 |
0.487 |
0 |
0 |
0 |
0.000 |
37 |
66 |
|
[EDO]B:802 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
19813 |
27.6 |
0.3 |
0.510 |
0 |
0 |
0 |
0.000 |
38 |
67 |
|
F |
2 |
1 |
19862 |
f |
[EDO]E:801 |
x,y-1,z |
1_545 |
3 |
1 |
184 |
26.8 |
0.4 |
0.372 |
0 |
0 |
0 |
0.000 |
39 |
68 |
|
[EDO]A:802 |
2 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
19879 |
26.0 |
0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
40 |
69 |
|
[NAG]F:701 |
7 |
1 |
354 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
19862 |
25.3 |
0.3 |
0.154 |
0 |
0 |
0 |
0.000 |
41 |
70 |
|
[NAG]D:701 |
3 |
1 |
355 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
19920 |
24.6 |
0.4 |
0.280 |
0 |
0 |
0 |
0.000 |
42 |
71 |
|
[NAG]A:701 |
4 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
19813 |
23.7 |
0.4 |
0.273 |
0 |
0 |
0 |
0.000 |
43 |
72 |
|
[NAG]E:701 |
5 |
1 |
355 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
19942 |
23.2 |
0.2 |
0.244 |
0 |
0 |
0 |
0.000 |
73 |
|
[NAG]B:701 |
4 |
1 |
355 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
19879 |
19.4 |
0.3 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
21.3 |
0.3 |
0.251 |
0 |
0 |
0 |
0.000 |
44 |
74 |
|
[GDL]E:600 |
2 |
1 |
367 |
◊ |
E |
-x+2,-x+y+1,-z+1/3 |
6_765 |
3 |
1 |
19942 |
21.3 |
0.7 |
0.558 |
0 |
0 |
0 |
0.000 |
75 |
|
[GDL]A:600 |
2 |
1 |
367 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
19879 |
20.5 |
0.7 |
0.545 |
0 |
0 |
0 |
0.000 |
76 |
|
[GDL]C:600 |
2 |
1 |
368 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
19920 |
20.3 |
0.7 |
0.555 |
0 |
0 |
0 |
0.000 |
77 |
|
[GDL]B:600 |
2 |
1 |
368 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19813 |
20.1 |
0.7 |
0.530 |
0 |
0 |
0 |
0.000 |
78 |
|
[GDL]D:600 |
2 |
1 |
367 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19622 |
19.9 |
0.7 |
0.537 |
0 |
0 |
0 |
0.000 |
79 |
|
[GDL]F:600 |
2 |
1 |
367 |
◊ |
F |
-x+2,-x+y+1,-z+1/3 |
6_765 |
3 |
1 |
19862 |
19.0 |
0.7 |
0.525 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
0.7 |
0.542 |
0 |
0 |
0 |
0.000 |
45 |
80 |
|
[EDO]B:800 |
2 |
1 |
185 |
f |
[GDL]B:600 |
x,y,z |
1_555 |
5 |
1 |
368 |
20.2 |
0.5 |
0.264 |
0 |
0 |
0 |
0.000 |
46 |
81 |
|
F |
4 |
3 |
19862 |
◊ |
B |
y,x-1,-z |
4_545 |
2 |
2 |
19879 |
16.7 |
0.8 |
0.872 |
0 |
0 |
0 |
0.000 |
47 |
82 |
|
[NAG]A:702 |
2 |
1 |
362 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
3 |
2 |
19920 |
15.2 |
0.3 |
0.393 |
0 |
0 |
0 |
0.000 |
83 |
|
C |
2 |
2 |
19622 |
◊ |
[NAG]B:702 |
-y+1,x-y,z+1/3 |
2_655 |
2 |
1 |
362 |
14.6 |
0.5 |
0.416 |
0 |
0 |
0 |
0.000 |
84 |
|
F |
2 |
2 |
19862 |
◊ |
[NAG]E:702 |
y,x-1,-z |
4_545 |
2 |
1 |
364 |
7.3 |
0.3 |
0.403 |
0 |
0 |
0 |
0.000 |
Average: |
12.4 |
0.4 |
0.404 |
0 |
0 |
0 |
0.000 |
48 |
85 |
|
[EDO]E:800 |
2 |
1 |
185 |
f |
[GDL]E:600 |
x,y,z |
1_555 |
4 |
1 |
367 |
13.7 |
0.2 |
0.319 |
0 |
0 |
0 |
0.000 |
86 |
|
[EDO]C:800 |
2 |
1 |
184 |
f |
[GDL]D:600 |
x,y,z |
1_555 |
4 |
1 |
367 |
13.3 |
0.3 |
0.314 |
0 |
0 |
0 |
0.000 |
Average: |
13.5 |
0.2 |
0.317 |
0 |
0 |
0 |
0.000 |
49 |
87 |
|
[EDO]F:800 |
2 |
1 |
182 |
f |
[GDL]F:600 |
x,y,z |
1_555 |
4 |
1 |
367 |
12.7 |
0.1 |
0.295 |
0 |
0 |
0 |
0.000 |
50 |
88 |
|
[EDO]A:800 |
2 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
5 |
1 |
19942 |
11.2 |
0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
51 |
89 |
|
E |
1 |
1 |
19942 |
◊ |
A |
-x+2,-x+y+1,-z+1/3 |
6_765 |
1 |
1 |
19813 |
3.2 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
52 |
90 |
|
[GDL]B:600 |
1 |
1 |
368 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
19942 |
2.3 |
-0.0 |
0.288 |
0 |
0 |
0 |
0.012 |
53 |
91 |
|
[EDO]A:800 |
1 |
1 |
182 |
f |
[GDL]A:600 |
x,y,z |
1_555 |
1 |
1 |
367 |
1.3 |
0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
|