## |
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 |
|
D |
456 |
119 |
22120 |
◊ |
A |
x,y,z |
1_555 |
450 |
116 |
22231 |
4567.7 |
-43.6 |
0.057 |
60 |
20 |
0 |
0.989 |
2 |
|
H |
460 |
118 |
22127 |
◊ |
E |
x,y,z |
1_555 |
452 |
116 |
22040 |
4552.6 |
-44.5 |
0.049 |
59 |
18 |
0 |
0.989 |
3 |
|
G |
452 |
117 |
22112 |
◊ |
F |
x,y,z |
1_555 |
451 |
117 |
22117 |
4540.8 |
-44.6 |
0.036 |
62 |
18 |
0 |
0.989 |
4 |
|
C |
450 |
116 |
22156 |
◊ |
B |
x,y,z |
1_555 |
457 |
117 |
22247 |
4525.8 |
-43.7 |
0.051 |
58 |
16 |
0 |
0.989 |
Average: |
4546.7 |
-44.1 |
0.048 |
60 |
18 |
0 |
0.989 |
2 |
5 |
|
B |
303 |
87 |
22247 |
◊ |
A |
x,y,z |
1_555 |
307 |
87 |
22231 |
2998.5 |
-32.0 |
0.054 |
36 |
21 |
0 |
0.974 |
6 |
|
D |
306 |
87 |
22120 |
◊ |
C |
x,y,z |
1_555 |
306 |
86 |
22156 |
2993.4 |
-31.9 |
0.044 |
36 |
19 |
0 |
0.974 |
7 |
|
H |
305 |
87 |
22127 |
◊ |
G |
x,y,z |
1_555 |
310 |
87 |
22112 |
2984.7 |
-31.9 |
0.047 |
38 |
20 |
0 |
0.974 |
8 |
|
F |
300 |
86 |
22117 |
◊ |
E |
x,y,z |
1_555 |
307 |
86 |
22040 |
2973.9 |
-31.7 |
0.045 |
38 |
21 |
0 |
0.974 |
Average: |
2987.6 |
-31.9 |
0.047 |
37 |
20 |
0 |
0.974 |
3 |
9 |
|
F |
45 |
15 |
22117 |
◊ |
G |
-x+2,y-1/2,-z+1 |
2_746 |
48 |
11 |
22112 |
438.8 |
5.4 |
0.951 |
4 |
0 |
0 |
0.000 |
4 |
10 |
|
C |
56 |
16 |
22156 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
50 |
16 |
22247 |
432.3 |
5.2 |
0.946 |
4 |
0 |
0 |
0.000 |
5 |
11 |
|
C |
42 |
14 |
22156 |
◊ |
G |
x-1,y,z-1 |
1_454 |
42 |
15 |
22112 |
382.4 |
-3.7 |
0.342 |
0 |
2 |
0 |
0.000 |
6 |
12 |
|
A |
33 |
12 |
22231 |
◊ |
G |
x-1,y,z |
1_455 |
33 |
12 |
22112 |
313.6 |
-0.9 |
0.605 |
1 |
2 |
0 |
0.000 |
7 |
13 |
|
F |
30 |
10 |
22117 |
◊ |
B |
x,y,z |
1_555 |
29 |
10 |
22247 |
276.2 |
-1.9 |
0.465 |
0 |
0 |
0 |
0.000 |
14 |
|
H |
29 |
10 |
22127 |
◊ |
D |
x,y,z |
1_555 |
29 |
10 |
22120 |
268.6 |
-1.9 |
0.462 |
1 |
0 |
0 |
0.000 |
Average: |
272.4 |
-1.9 |
0.464 |
1 |
0 |
0 |
0.000 |
8 |
15 |
|
E |
27 |
11 |
22040 |
◊ |
F |
x-1,y,z |
1_455 |
30 |
9 |
22117 |
260.2 |
-1.9 |
0.453 |
4 |
5 |
0 |
0.000 |
16 |
|
D |
29 |
9 |
22120 |
◊ |
C |
x-1,y,z |
1_455 |
28 |
11 |
22156 |
254.9 |
-2.3 |
0.406 |
3 |
4 |
0 |
0.000 |
Average: |
257.5 |
-2.1 |
0.429 |
4 |
5 |
0 |
0.000 |
9 |
17 |
|
D |
21 |
5 |
22120 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
24 |
6 |
22231 |
208.3 |
4.2 |
0.954 |
4 |
4 |
0 |
0.000 |
10 |
18 |
|
[DHC]C:701 |
13 |
1 |
347 |
◊ |
C |
x,y,z |
1_555 |
31 |
13 |
22156 |
195.5 |
1.0 |
0.376 |
3 |
0 |
0 |
0.013 |
19 |
|
[DHC]B:701 |
13 |
1 |
346 |
◊ |
B |
x,y,z |
1_555 |
29 |
13 |
22247 |
194.8 |
0.9 |
0.369 |
3 |
0 |
0 |
0.013 |
20 |
|
[DHC]H:701 |
13 |
1 |
346 |
◊ |
H |
x,y,z |
1_555 |
34 |
14 |
22127 |
194.0 |
0.9 |
0.368 |
3 |
0 |
0 |
0.013 |
21 |
|
[DHC]A:701 |
13 |
1 |
349 |
◊ |
A |
x,y,z |
1_555 |
31 |
13 |
22231 |
193.8 |
1.0 |
0.377 |
3 |
0 |
0 |
0.013 |
22 |
|
[DHC]E:701 |
13 |
1 |
344 |
◊ |
E |
x,y,z |
1_555 |
30 |
13 |
22040 |
193.7 |
1.1 |
0.378 |
3 |
0 |
0 |
0.013 |
23 |
|
[DHC]G:701 |
13 |
1 |
348 |
◊ |
G |
x,y,z |
1_555 |
31 |
13 |
22112 |
193.6 |
1.1 |
0.385 |
3 |
0 |
0 |
0.013 |
24 |
|
[DHC]F:701 |
13 |
1 |
347 |
◊ |
F |
x,y,z |
1_555 |
30 |
13 |
22117 |
192.5 |
1.0 |
0.374 |
3 |
0 |
0 |
0.013 |
25 |
|
[DHC]D:701 |
13 |
1 |
345 |
◊ |
D |
x,y,z |
1_555 |
29 |
13 |
22120 |
191.8 |
1.0 |
0.366 |
3 |
0 |
0 |
0.013 |
Average: |
193.7 |
1.0 |
0.374 |
3 |
0 |
0 |
0.013 |
11 |
26 |
|
D |
21 |
9 |
22120 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
22247 |
190.3 |
1.2 |
0.818 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
24 |
11 |
22127 |
◊ |
F |
x,y,z |
1_555 |
23 |
10 |
22117 |
188.6 |
1.1 |
0.806 |
0 |
0 |
0 |
0.000 |
28 |
|
G |
22 |
10 |
22112 |
◊ |
E |
x,y,z |
1_555 |
22 |
10 |
22040 |
180.5 |
0.9 |
0.794 |
1 |
0 |
0 |
0.000 |
29 |
|
C |
22 |
11 |
22156 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
22231 |
178.5 |
0.7 |
0.777 |
1 |
0 |
0 |
0.000 |
Average: |
184.5 |
1.0 |
0.799 |
1 |
0 |
0 |
0.000 |
12 |
30 |
|
D |
19 |
6 |
22120 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
6 |
22127 |
151.4 |
0.6 |
0.736 |
0 |
0 |
0 |
0.000 |
13 |
31 |
|
E |
17 |
4 |
22040 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
4 |
22127 |
145.9 |
1.5 |
0.732 |
3 |
5 |
0 |
0.000 |
14 |
32 |
|
D |
8 |
3 |
22120 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
7 |
4 |
22247 |
74.3 |
2.6 |
0.944 |
1 |
2 |
0 |
0.000 |
15 |
33 |
|
[DHC]F:701 |
8 |
1 |
347 |
f |
E |
x,y,z |
1_555 |
11 |
3 |
22040 |
66.4 |
-0.4 |
0.178 |
0 |
0 |
0 |
0.100 |
34 |
|
[DHC]G:701 |
8 |
1 |
348 |
f |
H |
x,y,z |
1_555 |
11 |
3 |
22127 |
65.0 |
-0.4 |
0.182 |
0 |
0 |
0 |
0.100 |
35 |
|
[DHC]A:701 |
8 |
1 |
349 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
22247 |
64.8 |
-0.4 |
0.179 |
0 |
0 |
0 |
0.100 |
36 |
|
[DHC]D:701 |
8 |
1 |
345 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
22156 |
64.5 |
-0.5 |
0.176 |
0 |
0 |
0 |
0.100 |
37 |
|
[DHC]C:701 |
8 |
1 |
347 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
22120 |
64.4 |
-0.4 |
0.179 |
0 |
0 |
0 |
0.100 |
38 |
|
[DHC]H:701 |
8 |
1 |
346 |
f |
G |
x,y,z |
1_555 |
9 |
3 |
22112 |
63.7 |
-0.4 |
0.152 |
0 |
0 |
0 |
0.100 |
39 |
|
[DHC]B:701 |
8 |
1 |
346 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
22231 |
63.7 |
-0.4 |
0.186 |
0 |
0 |
0 |
0.100 |
40 |
|
[DHC]E:701 |
8 |
1 |
344 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
22117 |
62.6 |
-0.4 |
0.151 |
0 |
0 |
0 |
0.100 |
Average: |
64.4 |
-0.4 |
0.173 |
0 |
0 |
0 |
0.100 |
16 |
41 |
|
[DHC]B:701 |
6 |
1 |
346 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
22156 |
57.4 |
1.8 |
0.611 |
3 |
0 |
0 |
0.000 |
42 |
|
[DHC]E:701 |
6 |
1 |
344 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
22127 |
56.6 |
1.8 |
0.600 |
3 |
0 |
0 |
0.000 |
43 |
|
[DHC]C:701 |
5 |
1 |
347 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
22247 |
56.0 |
1.8 |
0.665 |
2 |
0 |
0 |
0.000 |
44 |
|
[DHC]A:701 |
4 |
1 |
349 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
22120 |
55.6 |
1.7 |
0.704 |
2 |
0 |
0 |
0.000 |
45 |
|
[DHC]D:701 |
4 |
1 |
345 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
22231 |
55.5 |
1.8 |
0.709 |
2 |
0 |
0 |
0.000 |
46 |
|
[DHC]G:701 |
5 |
1 |
348 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
22117 |
55.2 |
1.7 |
0.653 |
2 |
0 |
0 |
0.000 |
47 |
|
[DHC]F:701 |
5 |
1 |
347 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
22112 |
54.9 |
1.7 |
0.643 |
2 |
0 |
0 |
0.000 |
Average: |
55.9 |
1.8 |
0.655 |
2 |
0 |
0 |
0.000 |
17 |
48 |
|
[DHC]H:701 |
6 |
1 |
346 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
22040 |
57.1 |
1.7 |
0.576 |
3 |
0 |
0 |
0.000 |
18 |
49 |
|
F |
3 |
1 |
22117 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22156 |
13.3 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
50 |
|
E |
1 |
1 |
22040 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
22120 |
10.8 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
51 |
|
G |
1 |
1 |
22112 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22247 |
10.8 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
2 |
1 |
22127 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22231 |
8.7 |
0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
Average: |
10.9 |
0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
|