| ## |
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 |
164 |
50 |
16984 |
◊ |
E |
x,y,z |
1_555 |
168 |
45 |
17580 |
1531.3 |
-8.2 |
0.458 |
17 |
8 |
0 |
1.000 |
2 |
|
B |
165 |
48 |
17184 |
◊ |
A |
x,y,z |
1_555 |
173 |
49 |
17534 |
1526.7 |
-9.0 |
0.398 |
14 |
8 |
0 |
1.000 |
3 |
|
H |
156 |
47 |
16975 |
◊ |
G |
x,y,z |
1_555 |
166 |
47 |
17561 |
1508.4 |
-10.1 |
0.403 |
13 |
8 |
0 |
1.000 |
4 |
|
D |
160 |
47 |
17711 |
◊ |
C |
x,y,z |
1_555 |
163 |
48 |
17935 |
1492.3 |
-11.0 |
0.343 |
12 |
7 |
0 |
1.000 |
| Average: |
1514.7 |
-9.6 |
0.401 |
14 |
8 |
0 |
1.000 |
| 2 |
5 |
|
C |
136 |
32 |
17935 |
◊ |
B |
x,y,z |
1_555 |
130 |
32 |
17184 |
1288.3 |
-10.4 |
0.283 |
13 |
8 |
0 |
1.000 |
6 |
|
D |
125 |
31 |
17711 |
◊ |
A |
x,y,z |
1_555 |
140 |
33 |
17534 |
1274.6 |
-8.5 |
0.383 |
16 |
10 |
0 |
1.000 |
7 |
|
G |
120 |
26 |
17561 |
◊ |
F |
x,y,z |
1_555 |
128 |
33 |
16984 |
1156.5 |
-9.3 |
0.309 |
11 |
4 |
0 |
1.000 |
8 |
|
H |
119 |
29 |
16975 |
◊ |
E |
x,y,z |
1_555 |
128 |
30 |
17580 |
1108.1 |
-10.5 |
0.252 |
11 |
3 |
0 |
1.000 |
| Average: |
1206.9 |
-9.7 |
0.307 |
13 |
6 |
0 |
1.000 |
| 3 |
9 |
|
C |
68 |
20 |
17935 |
◊ |
A |
x,y,z |
1_555 |
73 |
24 |
17534 |
652.4 |
-3.0 |
0.529 |
5 |
4 |
0 |
0.068 |
10 |
|
G |
64 |
21 |
17561 |
◊ |
E |
x,y,z |
1_555 |
67 |
19 |
17580 |
599.2 |
-1.1 |
0.638 |
8 |
5 |
0 |
0.068 |
| Average: |
625.8 |
-2.1 |
0.584 |
7 |
5 |
0 |
0.068 |
| 4 |
11 |
|
D |
56 |
16 |
17711 |
◊ |
B |
x,y,z |
1_555 |
64 |
15 |
17184 |
585.7 |
-3.1 |
0.507 |
3 |
0 |
0 |
0.064 |
12 |
|
H |
29 |
10 |
16975 |
◊ |
F |
x,y,z |
1_555 |
38 |
13 |
16984 |
306.4 |
-5.1 |
0.149 |
0 |
0 |
0 |
0.064 |
| Average: |
446.0 |
-4.1 |
0.328 |
2 |
0 |
0 |
0.064 |
| 5 |
13 |
|
G |
30 |
8 |
17561 |
◊ |
D |
x,y,z |
1_555 |
26 |
7 |
17711 |
257.5 |
-3.3 |
0.262 |
2 |
2 |
0 |
0.000 |
14 |
|
F |
25 |
9 |
16984 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
24 |
6 |
17935 |
224.5 |
-1.9 |
0.399 |
2 |
0 |
0 |
0.000 |
15 |
|
E |
10 |
3 |
17580 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
17184 |
98.4 |
0.9 |
0.805 |
2 |
0 |
0 |
0.000 |
16 |
|
H |
8 |
3 |
16975 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
6 |
3 |
17534 |
58.2 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
| Average: |
159.6 |
-0.9 |
0.563 |
2 |
1 |
0 |
0.000 |
| 6 |
17 |
|
F |
27 |
8 |
16984 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
7 |
17534 |
222.6 |
-4.6 |
0.118 |
0 |
0 |
0 |
0.000 |
18 |
|
G |
27 |
7 |
17561 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
17184 |
217.8 |
-4.6 |
0.122 |
0 |
0 |
0 |
0.000 |
19 |
|
E |
20 |
7 |
17580 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
17711 |
169.4 |
-3.9 |
0.123 |
0 |
0 |
0 |
0.000 |
| Average: |
203.2 |
-4.4 |
0.121 |
0 |
0 |
0 |
0.000 |
| 7 |
20 |
|
[ADP]F:501 |
23 |
1 |
543 |
f |
F |
x,y,z |
1_555 |
25 |
10 |
16984 |
219.1 |
0.9 |
0.879 |
7 |
0 |
0 |
0.250 |
21 |
|
[ADP]B:501 |
23 |
1 |
539 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
17184 |
214.1 |
1.1 |
0.880 |
6 |
0 |
0 |
0.250 |
22 |
|
[ADP]G:501 |
23 |
1 |
536 |
f |
G |
x,y,z |
1_555 |
23 |
10 |
17561 |
212.8 |
0.9 |
0.863 |
5 |
0 |
0 |
0.250 |
23 |
|
[ADP]D:501 |
22 |
1 |
539 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
17711 |
210.7 |
0.6 |
0.839 |
5 |
0 |
0 |
0.250 |
24 |
|
[ADP]A:501 |
21 |
1 |
536 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
17534 |
205.5 |
0.8 |
0.841 |
6 |
0 |
0 |
0.250 |
25 |
|
[ADP]E:501 |
21 |
1 |
533 |
f |
E |
x,y,z |
1_555 |
23 |
10 |
17580 |
204.9 |
0.7 |
0.808 |
5 |
0 |
0 |
0.250 |
26 |
|
[ADP]H:501 |
23 |
1 |
541 |
f |
H |
x,y,z |
1_555 |
26 |
10 |
16975 |
203.9 |
1.2 |
0.869 |
5 |
0 |
0 |
0.250 |
27 |
|
[ADP]C:501 |
22 |
1 |
537 |
f |
C |
x,y,z |
1_555 |
23 |
10 |
17935 |
201.1 |
1.5 |
0.866 |
6 |
0 |
0 |
0.250 |
| Average: |
209.0 |
1.0 |
0.856 |
6 |
0 |
0 |
0.250 |
| 8 |
28 |
|
[ADP]E:501 |
21 |
1 |
533 |
◊ |
F |
x,y,z |
1_555 |
20 |
10 |
16984 |
193.3 |
0.2 |
0.679 |
2 |
0 |
0 |
0.030 |
29 |
|
[ADP]C:501 |
20 |
1 |
537 |
◊ |
D |
x,y,z |
1_555 |
20 |
10 |
17711 |
181.4 |
0.8 |
0.807 |
2 |
0 |
0 |
0.030 |
30 |
|
[ADP]G:501 |
19 |
1 |
536 |
◊ |
H |
x,y,z |
1_555 |
20 |
10 |
16975 |
170.8 |
0.1 |
0.567 |
1 |
0 |
0 |
0.030 |
31 |
|
[ADP]F:501 |
17 |
1 |
543 |
◊ |
E |
x,y,z |
1_555 |
23 |
10 |
17580 |
169.1 |
0.6 |
0.697 |
1 |
0 |
0 |
0.030 |
32 |
|
[ADP]D:501 |
14 |
1 |
539 |
◊ |
C |
x,y,z |
1_555 |
21 |
9 |
17935 |
156.5 |
1.3 |
0.727 |
1 |
0 |
0 |
0.030 |
33 |
|
[ADP]B:501 |
15 |
1 |
539 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
17534 |
154.6 |
1.3 |
0.719 |
1 |
0 |
0 |
0.030 |
34 |
|
[ADP]H:501 |
15 |
1 |
541 |
◊ |
G |
x,y,z |
1_555 |
21 |
10 |
17561 |
154.2 |
1.3 |
0.724 |
1 |
0 |
0 |
0.030 |
35 |
|
[ADP]A:501 |
16 |
1 |
536 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
17184 |
154.0 |
1.3 |
0.687 |
1 |
0 |
0 |
0.030 |
| Average: |
166.7 |
0.9 |
0.701 |
1 |
0 |
0 |
0.030 |
| 9 |
36 |
|
A |
23 |
8 |
17534 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
10 |
17184 |
188.6 |
-0.1 |
0.626 |
3 |
0 |
0 |
0.000 |
37 |
|
G |
22 |
7 |
17561 |
◊ |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
29 |
11 |
16984 |
187.4 |
0.1 |
0.636 |
3 |
0 |
0 |
0.000 |
38 |
|
H |
27 |
11 |
16975 |
◊ |
E |
x-1/2,-y-1/2,-z-1 |
4_444 |
23 |
7 |
17580 |
187.0 |
0.0 |
0.672 |
3 |
0 |
0 |
0.000 |
39 |
|
D |
22 |
8 |
17711 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
20 |
6 |
17935 |
181.0 |
-1.1 |
0.493 |
1 |
0 |
0 |
0.000 |
| Average: |
186.0 |
-0.3 |
0.607 |
3 |
0 |
0 |
0.000 |
| 10 |
40 |
|
[EDO]G:503 |
4 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
21 |
8 |
17561 |
118.7 |
3.7 |
0.511 |
3 |
0 |
0 |
0.000 |
| 11 |
41 |
|
[GOL]D:502 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
17711 |
118.7 |
-0.3 |
0.557 |
4 |
0 |
0 |
0.056 |
| 12 |
42 |
|
[GOL]B:502 |
6 |
1 |
224 |
f |
B |
x,y,z |
1_555 |
24 |
8 |
17184 |
118.3 |
-0.1 |
0.595 |
4 |
0 |
0 |
0.081 |
| 13 |
43 |
|
D |
12 |
4 |
17711 |
x |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
13 |
4 |
17184 |
111.8 |
-0.6 |
0.507 |
0 |
0 |
0 |
0.000 |
44 |
|
D |
12 |
4 |
17711 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
12 |
4 |
17184 |
110.8 |
-0.8 |
0.486 |
0 |
0 |
0 |
0.000 |
45 |
|
F |
11 |
3 |
16984 |
x |
F |
x-1/2,-y+1/2,-z-1 |
4_454 |
12 |
4 |
16984 |
106.3 |
-0.3 |
0.603 |
1 |
0 |
0 |
0.000 |
46 |
|
H |
12 |
4 |
16975 |
x |
H |
x-1/2,-y-1/2,-z-1 |
4_444 |
10 |
3 |
16975 |
105.8 |
-0.8 |
0.468 |
0 |
0 |
0 |
0.000 |
| Average: |
108.7 |
-0.6 |
0.516 |
0 |
0 |
0 |
0.000 |
| 14 |
47 |
|
[GOL]H:502 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
20 |
6 |
16975 |
110.3 |
-0.3 |
0.578 |
3 |
0 |
0 |
0.101 |
| 15 |
48 |
|
[EDO]A:503 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
17534 |
109.7 |
3.2 |
0.500 |
1 |
0 |
0 |
0.000 |
| 16 |
49 |
|
H |
13 |
4 |
16975 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
11 |
4 |
17935 |
100.2 |
-2.3 |
0.189 |
0 |
0 |
0 |
0.000 |
| 17 |
50 |
|
[EDO]G:502 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
20 |
6 |
17561 |
94.2 |
2.4 |
0.435 |
1 |
0 |
0 |
0.000 |
| 18 |
51 |
|
[EDO]C:502 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
17935 |
93.6 |
2.6 |
0.446 |
2 |
0 |
0 |
0.000 |
| 19 |
52 |
|
[EDO]A:502 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
17534 |
93.4 |
2.4 |
0.423 |
2 |
0 |
0 |
0.000 |
| 20 |
53 |
|
[EDO]E:502 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
18 |
6 |
17580 |
91.5 |
2.7 |
0.429 |
2 |
0 |
0 |
0.000 |
| 21 |
54 |
|
[CL]C:410 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
17935 |
80.7 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.316 |
| 22 |
55 |
|
[CL]D:410 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
17711 |
59.8 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.210 |
| 23 |
56 |
|
[CL]A:410 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
17534 |
56.2 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.329 |
| 24 |
57 |
|
[ADP]E:501 |
5 |
1 |
533 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
16975 |
47.3 |
-0.2 |
0.636 |
2 |
0 |
0 |
0.133 |
58 |
|
[ADP]D:501 |
5 |
1 |
539 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17534 |
43.4 |
-0.1 |
0.666 |
1 |
0 |
0 |
0.133 |
59 |
|
[ADP]H:501 |
5 |
1 |
541 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
17580 |
37.4 |
-1.7 |
0.274 |
0 |
0 |
0 |
0.133 |
60 |
|
[ADP]B:501 |
5 |
1 |
539 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17935 |
22.9 |
-1.0 |
0.206 |
0 |
0 |
0 |
0.133 |
61 |
|
[ADP]F:501 |
2 |
1 |
543 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
17561 |
4.0 |
-0.2 |
0.411 |
0 |
0 |
0 |
0.133 |
| Average: |
31.0 |
-0.7 |
0.439 |
1 |
0 |
0 |
0.133 |
| 25 |
62 |
|
C |
5 |
3 |
17935 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
1 |
17184 |
44.4 |
0.6 |
0.694 |
1 |
0 |
0 |
0.000 |
63 |
|
D |
5 |
3 |
17711 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
17534 |
35.8 |
0.6 |
0.744 |
1 |
0 |
0 |
0.000 |
64 |
|
F |
3 |
1 |
16984 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
6 |
2 |
17580 |
31.8 |
0.9 |
0.747 |
1 |
0 |
0 |
0.000 |
| Average: |
37.3 |
0.7 |
0.728 |
1 |
0 |
0 |
0.000 |
| 26 |
65 |
|
[CL]A:410 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
17711 |
41.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.129 |
| 27 |
66 |
|
[ADP]A:501 |
3 |
1 |
536 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17711 |
18.6 |
-0.8 |
0.329 |
0 |
0 |
0 |
0.020 |
67 |
|
[ADP]C:501 |
1 |
1 |
537 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
17184 |
2.7 |
-0.1 |
0.358 |
0 |
0 |
0 |
0.020 |
68 |
|
[ADP]G:501 |
1 |
1 |
536 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
16984 |
0.6 |
-0.0 |
0.522 |
0 |
0 |
0 |
0.020 |
| Average: |
7.3 |
-0.3 |
0.403 |
0 |
0 |
0 |
0.020 |
|