| ## |
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 |
|
B |
264 |
77 |
24988 |
◊ |
A |
x,y,z |
1_555 |
275 |
80 |
25034 |
2603.2 |
-27.6 |
0.077 |
40 |
4 |
0 |
0.633 |
2 |
|
D |
271 |
77 |
25043 |
◊ |
C |
x,y,z |
1_555 |
265 |
80 |
25035 |
2555.7 |
-27.4 |
0.086 |
35 |
4 |
0 |
0.633 |
| Average: |
2579.5 |
-27.5 |
0.081 |
38 |
4 |
0 |
0.633 |
| 2 |
3 |
|
C |
123 |
35 |
25035 |
◊ |
B |
x,y,z |
1_555 |
126 |
34 |
24988 |
1155.8 |
-14.4 |
0.120 |
10 |
0 |
0 |
0.445 |
4 |
|
D |
126 |
34 |
25043 |
◊ |
A |
x,y,z |
1_555 |
122 |
33 |
25034 |
1152.3 |
-14.0 |
0.113 |
13 |
0 |
0 |
0.445 |
| Average: |
1154.0 |
-14.2 |
0.116 |
12 |
0 |
0 |
0.445 |
| 3 |
5 |
|
[FDA]B:801 |
53 |
1 |
1008 |
cf |
B |
x,y,z |
1_555 |
105 |
44 |
24988 |
715.5 |
-11.7 |
0.306 |
9 |
0 |
0 |
0.775 |
6 |
|
[FDA]D:801 |
53 |
1 |
1000 |
cf |
D |
x,y,z |
1_555 |
101 |
44 |
25043 |
709.7 |
-11.2 |
0.308 |
12 |
0 |
0 |
0.775 |
7 |
|
[FDA]C:702 |
53 |
1 |
996 |
cf |
C |
x,y,z |
1_555 |
103 |
43 |
25035 |
706.7 |
-11.0 |
0.344 |
14 |
0 |
0 |
0.775 |
8 |
|
[FDA]A:801 |
53 |
1 |
1003 |
cf |
A |
x,y,z |
1_555 |
98 |
41 |
25034 |
706.6 |
-10.4 |
0.347 |
14 |
0 |
0 |
0.775 |
| Average: |
709.7 |
-11.1 |
0.326 |
12 |
0 |
0 |
0.775 |
| 4 |
9 |
|
C |
43 |
14 |
25035 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
25034 |
453.1 |
-10.8 |
0.010 |
0 |
0 |
0 |
0.110 |
10 |
|
D |
41 |
14 |
25043 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
24988 |
449.6 |
-10.3 |
0.014 |
0 |
0 |
0 |
0.110 |
| Average: |
451.3 |
-10.5 |
0.012 |
0 |
0 |
0 |
0.110 |
| 5 |
11 |
|
A |
51 |
21 |
25034 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
48 |
19 |
24988 |
436.8 |
-2.9 |
0.389 |
1 |
1 |
0 |
0.000 |
| 6 |
12 |
|
A |
41 |
13 |
25034 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
28 |
10 |
25034 |
317.1 |
1.1 |
0.787 |
5 |
0 |
0 |
0.000 |
| 7 |
13 |
|
C |
37 |
11 |
25035 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
31 |
9 |
25043 |
306.5 |
-0.8 |
0.599 |
3 |
0 |
0 |
0.000 |
| 8 |
14 |
|
C |
35 |
15 |
25035 |
x |
C |
-x,y-1/2,-z |
2_545 |
36 |
16 |
25035 |
305.1 |
0.1 |
0.737 |
1 |
1 |
0 |
0.000 |
| 9 |
15 |
|
A |
28 |
11 |
25034 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
34 |
15 |
24988 |
247.7 |
-0.8 |
0.466 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
B |
22 |
8 |
24988 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
10 |
24988 |
212.0 |
0.0 |
0.680 |
3 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[MES]A:804 |
11 |
1 |
326 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
25034 |
171.8 |
4.6 |
0.391 |
0 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[2H5]A:802 |
12 |
1 |
308 |
f |
A |
x,y,z |
1_555 |
30 |
14 |
25034 |
170.3 |
3.6 |
0.558 |
7 |
0 |
0 |
0.000 |
19 |
|
[2H5]B:802 |
12 |
1 |
305 |
f |
B |
x,y,z |
1_555 |
30 |
14 |
24988 |
169.7 |
3.8 |
0.602 |
8 |
0 |
0 |
0.000 |
20 |
|
[2H5]C:703 |
12 |
1 |
307 |
f |
C |
x,y,z |
1_555 |
31 |
14 |
25035 |
169.4 |
3.6 |
0.573 |
5 |
0 |
0 |
0.000 |
21 |
|
[2H5]D:802 |
12 |
1 |
306 |
f |
D |
x,y,z |
1_555 |
29 |
14 |
25043 |
168.2 |
4.0 |
0.564 |
6 |
0 |
0 |
0.000 |
| Average: |
169.4 |
3.7 |
0.574 |
7 |
0 |
0 |
0.000 |
| 13 |
22 |
|
B |
16 |
7 |
24988 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
6 |
25034 |
161.9 |
-0.8 |
0.510 |
4 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[12P]A:803 |
12 |
1 |
414 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
25034 |
147.5 |
0.6 |
0.644 |
0 |
0 |
0 |
0.000 |
24 |
|
[12P]B:804 |
12 |
1 |
481 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
25035 |
146.0 |
0.3 |
0.442 |
0 |
0 |
0 |
0.000 |
| Average: |
146.8 |
0.4 |
0.543 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[12P]B:803 |
11 |
1 |
489 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
24988 |
145.2 |
0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
26 |
|
[12P]D:803 |
10 |
1 |
401 |
f |
D |
x,y,z |
1_555 |
21 |
8 |
25043 |
143.7 |
0.5 |
0.570 |
0 |
0 |
0 |
0.000 |
| Average: |
144.4 |
0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[MES]C:701 |
10 |
1 |
332 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
25035 |
139.7 |
3.7 |
0.200 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[MES]C:701 |
8 |
1 |
332 |
f |
C |
-x,y-1/2,-z |
2_545 |
14 |
6 |
25035 |
112.0 |
3.0 |
0.232 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
D |
8 |
5 |
25043 |
x |
D |
-x-1,y-1/2,-z |
2_445 |
17 |
7 |
25043 |
102.3 |
-1.6 |
0.262 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[12P]B:804 |
7 |
1 |
481 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24988 |
83.6 |
1.6 |
0.376 |
0 |
0 |
0 |
0.000 |
31 |
|
[12P]A:803 |
6 |
1 |
414 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
25043 |
72.8 |
1.4 |
0.502 |
0 |
0 |
0 |
0.000 |
| Average: |
78.2 |
1.5 |
0.439 |
0 |
0 |
0 |
0.000 |
| 20 |
32 |
|
[MES]A:804 |
8 |
1 |
326 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
24988 |
80.1 |
1.0 |
0.050 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
[12P]B:803 |
8 |
1 |
489 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
25035 |
80.0 |
1.7 |
0.400 |
0 |
0 |
0 |
0.000 |
34 |
|
[12P]D:803 |
5 |
1 |
401 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
25034 |
74.3 |
1.5 |
0.517 |
0 |
0 |
0 |
0.000 |
| Average: |
77.2 |
1.6 |
0.459 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[2H5]A:802 |
8 |
1 |
308 |
f |
[FDA]A:801 |
x,y,z |
1_555 |
17 |
1 |
1003 |
76.4 |
1.1 |
0.258 |
1 |
0 |
0 |
0.000 |
36 |
|
[2H5]D:802 |
9 |
1 |
306 |
f |
[FDA]D:801 |
x,y,z |
1_555 |
15 |
1 |
1000 |
74.9 |
1.4 |
0.195 |
1 |
0 |
0 |
0.000 |
37 |
|
[2H5]B:802 |
8 |
1 |
305 |
f |
[FDA]B:801 |
x,y,z |
1_555 |
16 |
1 |
1008 |
73.5 |
0.9 |
0.225 |
1 |
0 |
0 |
0.000 |
38 |
|
[2H5]C:703 |
9 |
1 |
307 |
f |
[FDA]C:702 |
x,y,z |
1_555 |
15 |
1 |
996 |
73.2 |
1.1 |
0.248 |
1 |
0 |
0 |
0.000 |
| Average: |
74.5 |
1.1 |
0.232 |
1 |
0 |
0 |
0.000 |
| 23 |
39 |
|
[MES]A:804 |
5 |
1 |
326 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
25043 |
36.8 |
0.5 |
0.064 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
D |
4 |
2 |
25043 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
25035 |
33.3 |
1.3 |
0.859 |
1 |
1 |
0 |
0.000 |
| 25 |
41 |
|
C |
1 |
1 |
25035 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
25043 |
0.2 |
-0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
|