## |
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 |
76 |
21 |
7120 |
◊ |
A |
x,y,z |
1_555 |
74 |
19 |
7395 |
745.6 |
-3.5 |
0.523 |
8 |
7 |
0 |
0.000 |
2 |
|
H |
72 |
20 |
7192 |
◊ |
E |
x,y,z |
1_555 |
67 |
16 |
7264 |
692.5 |
-4.3 |
0.423 |
6 |
4 |
0 |
0.000 |
3 |
|
D |
73 |
19 |
7149 |
◊ |
B |
x,y,z |
1_555 |
74 |
22 |
7042 |
689.3 |
-2.8 |
0.481 |
5 |
3 |
0 |
0.000 |
4 |
|
G |
70 |
21 |
7010 |
◊ |
C |
x,y,z |
1_555 |
66 |
17 |
7139 |
627.4 |
-2.2 |
0.588 |
5 |
8 |
0 |
0.000 |
Average: |
688.7 |
-3.2 |
0.504 |
6 |
6 |
0 |
0.000 |
2 |
5 |
|
A |
45 |
13 |
7395 |
◊ |
E |
x-1,y,z |
1_455 |
40 |
10 |
7264 |
431.4 |
-1.5 |
0.634 |
2 |
0 |
0 |
0.000 |
6 |
|
E |
43 |
12 |
7264 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
7395 |
428.2 |
-0.2 |
0.726 |
4 |
3 |
0 |
0.000 |
7 |
|
G |
42 |
12 |
7010 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
39 |
9 |
7149 |
405.0 |
-1.6 |
0.636 |
4 |
2 |
0 |
0.000 |
8 |
|
G |
41 |
10 |
7010 |
◊ |
D |
-x,y-1/2,-z+2 |
2_547 |
40 |
13 |
7149 |
400.2 |
-2.1 |
0.596 |
3 |
1 |
0 |
0.000 |
Average: |
416.2 |
-1.4 |
0.648 |
3 |
2 |
0 |
0.000 |
3 |
9 |
|
A |
42 |
9 |
7395 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
43 |
10 |
7264 |
386.8 |
-2.4 |
0.564 |
8 |
4 |
0 |
0.000 |
10 |
|
G |
39 |
8 |
7010 |
◊ |
D |
x,y,z |
1_555 |
39 |
9 |
7149 |
355.9 |
-2.3 |
0.574 |
7 |
2 |
0 |
0.000 |
11 |
|
C |
36 |
8 |
7139 |
◊ |
B |
x,y,z |
1_555 |
37 |
8 |
7042 |
335.6 |
-3.3 |
0.416 |
6 |
0 |
0 |
0.000 |
Average: |
359.4 |
-2.7 |
0.518 |
7 |
2 |
0 |
0.000 |
4 |
12 |
|
C |
36 |
10 |
7139 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
37 |
11 |
7120 |
359.8 |
-3.7 |
0.384 |
3 |
0 |
0 |
0.000 |
13 |
|
B |
37 |
10 |
7042 |
◊ |
H |
x-1,y,z |
1_455 |
37 |
11 |
7192 |
359.6 |
-2.9 |
0.412 |
4 |
0 |
0 |
0.000 |
Average: |
359.7 |
-3.3 |
0.398 |
4 |
0 |
0 |
0.000 |
5 |
14 |
|
C |
37 |
12 |
7139 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
35 |
10 |
7120 |
330.7 |
-3.3 |
0.378 |
3 |
0 |
0 |
0.000 |
15 |
|
H |
33 |
10 |
7192 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
7042 |
328.0 |
-3.3 |
0.314 |
3 |
0 |
0 |
0.000 |
Average: |
329.3 |
-3.3 |
0.346 |
3 |
0 |
0 |
0.000 |
6 |
16 |
|
F |
38 |
8 |
7120 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
8 |
7192 |
328.1 |
-3.4 |
0.388 |
6 |
0 |
0 |
0.000 |
7 |
17 |
|
[2XD]D:802 |
20 |
1 |
469 |
◊ |
D |
x,y,z |
1_555 |
37 |
15 |
7149 |
298.1 |
5.5 |
0.399 |
3 |
0 |
0 |
0.000 |
18 |
|
[2XD]E:803 |
20 |
1 |
470 |
◊ |
E |
x,y,z |
1_555 |
36 |
16 |
7264 |
297.2 |
5.5 |
0.388 |
3 |
0 |
0 |
0.000 |
19 |
|
[2XD]A:802 |
20 |
1 |
466 |
◊ |
A |
x,y,z |
1_555 |
34 |
16 |
7395 |
293.5 |
5.5 |
0.398 |
3 |
0 |
0 |
0.000 |
20 |
|
[2XD]B:801 |
20 |
1 |
464 |
◊ |
B |
x,y,z |
1_555 |
31 |
14 |
7042 |
273.9 |
5.4 |
0.314 |
2 |
0 |
0 |
0.000 |
Average: |
290.7 |
5.5 |
0.375 |
3 |
0 |
0 |
0.000 |
8 |
21 |
|
[2XD]H:802 |
20 |
1 |
467 |
◊ |
H |
x,y,z |
1_555 |
34 |
14 |
7192 |
275.6 |
5.6 |
0.319 |
2 |
0 |
0 |
0.000 |
22 |
|
[2XD]F:802 |
20 |
1 |
465 |
◊ |
F |
x,y,z |
1_555 |
33 |
13 |
7120 |
275.4 |
5.5 |
0.326 |
2 |
0 |
0 |
0.000 |
23 |
|
[2XD]G:803 |
20 |
1 |
465 |
◊ |
G |
x,y,z |
1_555 |
33 |
14 |
7010 |
260.5 |
5.0 |
0.365 |
2 |
0 |
0 |
0.000 |
Average: |
270.5 |
5.3 |
0.337 |
2 |
0 |
0 |
0.000 |
9 |
24 |
|
[2XD]C:802 |
20 |
1 |
470 |
◊ |
C |
x,y,z |
1_555 |
32 |
14 |
7139 |
266.7 |
5.5 |
0.363 |
2 |
0 |
0 |
0.000 |
10 |
25 |
|
G |
23 |
10 |
7010 |
◊ |
H |
-x+1,y-1/2,-z+2 |
2_647 |
23 |
7 |
7192 |
205.7 |
1.2 |
0.794 |
4 |
0 |
0 |
0.000 |
11 |
26 |
|
F |
13 |
5 |
7120 |
◊ |
D |
x,y,z-1 |
1_554 |
9 |
4 |
7149 |
102.0 |
-1.1 |
0.376 |
0 |
0 |
0 |
0.000 |
12 |
27 |
|
[2XD]B:801 |
8 |
1 |
464 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
7149 |
100.6 |
-1.3 |
0.069 |
0 |
0 |
0 |
0.948 |
28 |
|
[2XD]H:802 |
8 |
1 |
467 |
f |
E |
x,y,z |
1_555 |
12 |
5 |
7264 |
98.8 |
-1.3 |
0.063 |
0 |
0 |
0 |
0.948 |
29 |
|
[2XD]F:802 |
8 |
1 |
465 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
7395 |
98.8 |
-1.4 |
0.058 |
0 |
0 |
0 |
0.948 |
Average: |
99.4 |
-1.3 |
0.063 |
0 |
0 |
0 |
0.948 |
13 |
30 |
|
[EDO]F:801 |
4 |
1 |
183 |
◊ |
F |
x,y,z |
1_555 |
13 |
7 |
7120 |
94.5 |
2.7 |
0.437 |
1 |
0 |
0 |
0.000 |
14 |
31 |
|
[EDO]H:801 |
4 |
1 |
186 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
7192 |
93.4 |
2.7 |
0.425 |
1 |
0 |
0 |
0.000 |
15 |
32 |
|
[2XD]G:803 |
8 |
1 |
465 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
7139 |
91.8 |
-1.3 |
0.052 |
0 |
0 |
0 |
0.839 |
16 |
33 |
|
[EDO]G:802 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
7010 |
90.1 |
2.7 |
0.474 |
1 |
0 |
0 |
0.000 |
17 |
34 |
|
[EDO]C:801 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
7139 |
89.9 |
3.1 |
0.479 |
2 |
0 |
0 |
0.000 |
18 |
35 |
|
B |
12 |
4 |
7042 |
◊ |
A |
x,y,z |
1_555 |
11 |
3 |
7395 |
89.3 |
-1.1 |
0.466 |
0 |
0 |
0 |
0.000 |
36 |
|
C |
5 |
2 |
7139 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
7264 |
66.3 |
-1.4 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
77.8 |
-1.2 |
0.409 |
0 |
0 |
0 |
0.000 |
19 |
37 |
|
[EDO]E:801 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
14 |
7 |
7264 |
86.8 |
3.1 |
0.534 |
4 |
0 |
0 |
0.000 |
38 |
|
[EDO]D:801 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
7149 |
85.4 |
3.2 |
0.534 |
4 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:801 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
7395 |
84.5 |
3.1 |
0.563 |
4 |
0 |
0 |
0.000 |
Average: |
85.6 |
3.1 |
0.544 |
4 |
0 |
0 |
0.000 |
20 |
40 |
|
[EDO]G:801 |
4 |
1 |
184 |
◊ |
G |
x,y,z |
1_555 |
15 |
7 |
7010 |
85.4 |
3.1 |
0.544 |
4 |
0 |
0 |
0.000 |
21 |
41 |
|
[EDO]E:802 |
4 |
1 |
184 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
7264 |
76.6 |
2.0 |
0.866 |
2 |
0 |
0 |
0.000 |
22 |
42 |
|
[EDO]E:802 |
4 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
7192 |
72.4 |
2.4 |
0.425 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
[EDO]A:801 |
4 |
1 |
183 |
f |
E |
x-1,y,z |
1_455 |
11 |
4 |
7264 |
62.6 |
1.1 |
0.181 |
1 |
0 |
0 |
0.000 |
44 |
|
[EDO]E:801 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7395 |
61.5 |
1.2 |
0.253 |
1 |
0 |
0 |
0.000 |
45 |
|
G |
10 |
4 |
7010 |
f |
[EDO]D:801 |
-x,y-1/2,-z+2 |
2_547 |
4 |
1 |
184 |
60.7 |
1.2 |
0.744 |
1 |
0 |
0 |
0.000 |
Average: |
61.6 |
1.2 |
0.392 |
1 |
0 |
0 |
0.000 |
24 |
46 |
|
[EDO]G:801 |
4 |
1 |
184 |
f |
D |
-x+1,y-1/2,-z+2 |
2_647 |
9 |
4 |
7149 |
62.1 |
1.2 |
0.251 |
1 |
0 |
0 |
0.000 |
25 |
47 |
|
[EDO]F:801 |
3 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
7395 |
51.6 |
1.0 |
0.772 |
1 |
0 |
0 |
0.000 |
26 |
48 |
|
[EDO]G:802 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
7139 |
50.8 |
1.2 |
0.531 |
0 |
0 |
0 |
0.000 |
27 |
49 |
|
[EDO]H:801 |
3 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
3 |
7264 |
50.5 |
1.1 |
0.763 |
0 |
0 |
0 |
0.000 |
28 |
50 |
|
[EDO]C:801 |
3 |
1 |
183 |
f |
G |
x,y,z |
1_555 |
4 |
1 |
7010 |
36.8 |
0.9 |
0.857 |
1 |
0 |
0 |
0.000 |
29 |
51 |
|
[2XD]G:803 |
4 |
1 |
465 |
◊ |
[2XD]C:802 |
x,y,z |
1_555 |
5 |
1 |
470 |
31.8 |
0.5 |
0.097 |
0 |
0 |
0 |
0.000 |
30 |
52 |
|
[2XD]C:802 |
2 |
1 |
470 |
f |
G |
x,y,z |
1_555 |
3 |
3 |
7010 |
19.5 |
-0.1 |
0.286 |
0 |
0 |
0 |
0.000 |
31 |
53 |
|
[2XD]E:803 |
2 |
1 |
470 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
7192 |
19.1 |
-0.1 |
0.269 |
0 |
0 |
0 |
0.100 |
54 |
|
[2XD]A:802 |
2 |
1 |
466 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
7120 |
18.0 |
-0.2 |
0.265 |
0 |
0 |
0 |
0.100 |
55 |
|
[2XD]D:802 |
2 |
1 |
469 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
7042 |
15.9 |
-0.2 |
0.240 |
0 |
0 |
0 |
0.100 |
Average: |
17.7 |
-0.2 |
0.258 |
0 |
0 |
0 |
0.100 |
|