## |
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 |
465 |
117 |
20023 |
◊ |
A |
x,y,z |
1_555 |
452 |
116 |
19099 |
4603.5 |
-87.7 |
0.598 |
31 |
9 |
1 |
1.000 |
2 |
2 |
|
A |
23 |
8 |
19099 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
27 |
7 |
19099 |
230.2 |
-3.2 |
0.663 |
0 |
0 |
0 |
0.000 |
3 |
3 |
|
B |
25 |
5 |
20023 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
6 |
19099 |
209.2 |
0.3 |
0.931 |
1 |
1 |
0 |
0.000 |
4 |
4 |
|
A |
21 |
7 |
19099 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
9 |
20023 |
199.9 |
-0.3 |
0.804 |
0 |
0 |
0 |
0.000 |
5 |
5 |
|
B |
20 |
8 |
20023 |
x |
B |
-x,y-1/2,-z-1/2 |
3_544 |
21 |
7 |
20023 |
192.1 |
-0.9 |
0.821 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[UND]A:404 |
10 |
1 |
397 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
19099 |
140.9 |
1.5 |
0.114 |
0 |
0 |
0 |
0.000 |
7 |
7 |
|
B |
17 |
7 |
20023 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
12 |
4 |
19099 |
130.9 |
-1.7 |
0.680 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
[UND]B:404 |
11 |
1 |
404 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
20023 |
130.2 |
0.7 |
0.052 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[OCT]A:403 |
7 |
1 |
321 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
19099 |
92.2 |
1.7 |
0.558 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[K]A:405 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
19099 |
87.8 |
-45.9 |
0.000 |
0 |
0 |
0 |
0.105 |
11 |
|
[K]A:405 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
20023 |
53.7 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.105 |
Average: |
70.7 |
-36.4 |
0.000 |
0 |
0 |
0 |
0.105 |
11 |
12 |
|
[OCT]B:403 |
6 |
1 |
321 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
20023 |
87.2 |
1.5 |
0.626 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[UND]B:404 |
5 |
1 |
404 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
19099 |
71.3 |
1.6 |
0.314 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[OCT]A:402 |
6 |
1 |
320 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
19099 |
70.0 |
1.3 |
0.699 |
0 |
0 |
0 |
0.000 |
14 |
15 |
|
[UND]A:404 |
10 |
1 |
397 |
◊ |
[OCT]A:402 |
x,y,z |
1_555 |
8 |
1 |
320 |
68.9 |
4.4 |
0.089 |
0 |
0 |
0 |
0.000 |
15 |
16 |
|
[K]A:409 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
10 |
7 |
20023 |
60.4 |
-38.4 |
0.000 |
0 |
0 |
0 |
0.112 |
17 |
|
[K]A:409 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
9 |
7 |
19099 |
59.4 |
-38.9 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
59.9 |
-38.7 |
0.000 |
0 |
0 |
0 |
0.112 |
16 |
18 |
|
[K]A:406 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
19099 |
55.1 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.149 |
19 |
|
[K]A:406 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
20023 |
53.7 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.149 |
20 |
|
[K]A:407 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
20023 |
51.6 |
-33.8 |
0.000 |
0 |
0 |
0 |
0.149 |
Average: |
53.5 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.149 |
17 |
21 |
|
[K]A:408 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
9 |
20023 |
51.8 |
-34.2 |
0.000 |
0 |
0 |
0 |
0.148 |
22 |
|
[K]A:407 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
19099 |
51.6 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.148 |
23 |
|
[K]A:408 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
19099 |
51.5 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.148 |
Average: |
51.6 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.148 |
18 |
24 |
|
[K]B:405 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
19099 |
48.2 |
-31.3 |
0.000 |
0 |
0 |
0 |
0.085 |
25 |
|
[K]B:405 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
20023 |
43.6 |
-27.8 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
45.9 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.085 |
19 |
26 |
|
[UND]A:404 |
6 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
20023 |
47.3 |
0.7 |
0.146 |
0 |
0 |
0 |
0.000 |
20 |
27 |
|
A |
4 |
2 |
19099 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
19099 |
45.7 |
0.2 |
0.784 |
0 |
0 |
0 |
0.000 |
21 |
28 |
|
[CD]B:401 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
20023 |
43.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
|
[CD]B:401 |
1 |
1 |
112 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
19099 |
42.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
42.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[CD]B:402 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
11 |
3 |
20023 |
41.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
1.000 |
23 |
31 |
|
[K]A:409 |
1 |
1 |
216 |
f |
[K]A:408 |
x,y,z |
1_555 |
1 |
1 |
216 |
37.7 |
-37.7 |
0.000 |
0 |
0 |
0 |
0.054 |
24 |
32 |
|
[K]B:405 |
1 |
1 |
216 |
f |
[K]A:406 |
x,y,z |
1_555 |
1 |
1 |
216 |
37.4 |
-37.4 |
0.000 |
0 |
0 |
0 |
0.054 |
25 |
33 |
|
[OCT]A:403 |
4 |
1 |
321 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
20023 |
34.9 |
0.5 |
0.557 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[K]A:407 |
1 |
1 |
216 |
f |
[K]A:406 |
x,y,z |
1_555 |
1 |
1 |
216 |
34.2 |
-34.2 |
0.000 |
0 |
0 |
0 |
0.049 |
27 |
35 |
|
[K]A:408 |
1 |
1 |
216 |
f |
[K]A:407 |
x,y,z |
1_555 |
1 |
1 |
216 |
32.3 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.047 |
28 |
36 |
|
B |
6 |
3 |
20023 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
19099 |
23.9 |
0.9 |
0.901 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[CD]A:401 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
19099 |
23.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.243 |
30 |
38 |
|
[K]A:409 |
1 |
1 |
216 |
f |
[K]A:407 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.7 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.021 |
31 |
39 |
|
[K]A:408 |
1 |
1 |
216 |
f |
[K]A:406 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.018 |
32 |
40 |
|
[K]A:409 |
1 |
1 |
216 |
f |
[K]A:405 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.1 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.010 |
33 |
41 |
|
[CD]B:401 |
1 |
1 |
112 |
◊ |
[CD]A:401 |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
112 |
6.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
42 |
|
[K]B:405 |
1 |
1 |
216 |
f |
[K]A:407 |
x,y,z |
1_555 |
1 |
1 |
216 |
4.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.006 |
35 |
43 |
|
A |
2 |
1 |
19099 |
◊ |
[CD]A:401 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
112 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[CD]B:402 |
1 |
1 |
112 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
20023 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|