## |
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 |
|
C |
161 |
37 |
11310 |
◊ |
C |
y,x,-z |
4_555 |
161 |
37 |
11310 |
1596.7 |
-13.3 |
0.591 |
7 |
2 |
0 |
1.000 |
2 |
|
B |
159 |
38 |
10802 |
◊ |
A |
x,y,z |
1_555 |
160 |
38 |
11073 |
1555.7 |
-13.8 |
0.503 |
18 |
1 |
0 |
1.000 |
Average: |
1576.2 |
-13.6 |
0.547 |
13 |
2 |
0 |
1.000 |
2 |
3 |
|
R |
47 |
10 |
1408 |
◊ |
C |
x,y,z |
1_555 |
59 |
15 |
11310 |
534.6 |
-11.4 |
0.181 |
2 |
5 |
0 |
0.747 |
4 |
|
P |
47 |
10 |
1445 |
◊ |
A |
x,y,z |
1_555 |
57 |
15 |
11073 |
520.5 |
-11.4 |
0.168 |
2 |
4 |
0 |
0.747 |
Average: |
527.6 |
-11.4 |
0.175 |
2 |
5 |
0 |
0.747 |
3 |
5 |
|
Q |
49 |
9 |
1456 |
◊ |
B |
x,y,z |
1_555 |
56 |
14 |
10802 |
532.4 |
-11.4 |
0.183 |
1 |
3 |
0 |
1.000 |
4 |
6 |
|
C |
50 |
15 |
11310 |
◊ |
A |
x,y,z |
1_555 |
47 |
15 |
11073 |
437.3 |
-4.2 |
0.510 |
7 |
10 |
0 |
0.161 |
5 |
7 |
|
[OHT]B:600 |
27 |
1 |
647 |
◊ |
B |
x,y,z |
1_555 |
53 |
22 |
10802 |
426.5 |
1.7 |
0.408 |
3 |
0 |
0 |
0.000 |
8 |
|
[OHT]A:600 |
27 |
1 |
643 |
◊ |
A |
x,y,z |
1_555 |
55 |
23 |
11073 |
424.8 |
2.5 |
0.479 |
3 |
0 |
0 |
0.000 |
9 |
|
[OHT]C:600 |
27 |
1 |
636 |
◊ |
C |
x,y,z |
1_555 |
55 |
22 |
11310 |
423.1 |
2.4 |
0.514 |
3 |
0 |
0 |
0.000 |
Average: |
424.8 |
2.2 |
0.467 |
3 |
0 |
0 |
0.000 |
6 |
10 |
|
B |
45 |
15 |
10802 |
◊ |
C |
-y+1,x-y,z+2/3 |
2_655 |
45 |
16 |
11310 |
408.1 |
0.9 |
0.883 |
4 |
4 |
0 |
0.000 |
7 |
11 |
|
B |
32 |
9 |
10802 |
◊ |
C |
-x+1,-x+y,-z+2/3 |
6_655 |
25 |
5 |
11310 |
267.8 |
-0.9 |
0.543 |
5 |
4 |
0 |
0.000 |
8 |
12 |
|
B |
27 |
9 |
10802 |
◊ |
A |
-y+1,x-y,z-1/3 |
2_654 |
18 |
6 |
11073 |
234.3 |
-3.5 |
0.295 |
2 |
0 |
0 |
0.000 |
9 |
13 |
|
R |
15 |
4 |
1408 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11073 |
121.9 |
-1.9 |
0.509 |
1 |
0 |
0 |
0.086 |
14 |
|
P |
13 |
4 |
1445 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
11310 |
118.5 |
-2.0 |
0.475 |
1 |
0 |
0 |
0.086 |
Average: |
120.2 |
-1.9 |
0.492 |
1 |
0 |
0 |
0.086 |
10 |
15 |
|
Q |
12 |
6 |
1456 |
◊ |
C |
-y+1,x-y,z+2/3 |
2_655 |
16 |
6 |
11310 |
120.9 |
-1.8 |
0.532 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
B |
11 |
4 |
10802 |
◊ |
C |
-y+1,x-y,z-1/3 |
2_654 |
9 |
3 |
11310 |
103.5 |
-2.9 |
0.137 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[EDO]B:1531 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10802 |
97.1 |
2.5 |
0.465 |
1 |
0 |
0 |
0.000 |
13 |
18 |
|
[EDO]C:1531 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
11310 |
95.6 |
2.7 |
0.454 |
1 |
0 |
0 |
0.000 |
14 |
19 |
|
[EDO]A:1530 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
11073 |
95.5 |
2.7 |
0.454 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[EDO]B:1530 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
10802 |
89.2 |
2.1 |
0.479 |
3 |
0 |
0 |
0.000 |
16 |
21 |
|
[EDO]C:1530 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
11310 |
87.8 |
2.4 |
0.502 |
3 |
0 |
0 |
0.000 |
17 |
22 |
|
[EDO]A:1529 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11073 |
85.7 |
2.6 |
0.497 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
B |
12 |
7 |
10802 |
◊ |
B |
x-y,-y,-z+1/3 |
5_555 |
12 |
7 |
10802 |
85.5 |
-0.1 |
0.706 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[EDO]B:1530 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
11073 |
71.8 |
1.0 |
0.251 |
2 |
0 |
0 |
0.000 |
20 |
25 |
|
[BCT]A:700 |
4 |
1 |
163 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
11310 |
67.4 |
1.1 |
0.698 |
3 |
0 |
0 |
0.005 |
21 |
26 |
|
[BCT]A:700 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
11073 |
65.6 |
1.0 |
0.695 |
3 |
0 |
0 |
0.017 |
22 |
27 |
|
[EDO]A:1529 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
11310 |
61.5 |
1.5 |
0.824 |
3 |
0 |
0 |
0.000 |
23 |
28 |
|
[EDO]C:1530 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
11073 |
60.6 |
1.2 |
0.827 |
1 |
0 |
0 |
0.000 |
24 |
29 |
|
[OHT]A:600 |
3 |
1 |
643 |
f |
P |
x,y,z |
1_555 |
8 |
3 |
1445 |
56.8 |
-1.1 |
0.294 |
0 |
0 |
0 |
0.100 |
30 |
|
[OHT]C:600 |
3 |
1 |
636 |
f |
R |
x,y,z |
1_555 |
7 |
3 |
1408 |
56.3 |
-0.9 |
0.320 |
0 |
0 |
0 |
0.100 |
31 |
|
[OHT]B:600 |
3 |
1 |
647 |
f |
Q |
x,y,z |
1_555 |
8 |
3 |
1456 |
51.9 |
-1.1 |
0.319 |
0 |
0 |
0 |
0.100 |
Average: |
55.0 |
-1.0 |
0.311 |
0 |
0 |
0 |
0.100 |
25 |
32 |
|
A |
3 |
1 |
11073 |
x |
A |
-y+1,x-y,z-1/3 |
2_654 |
6 |
3 |
11073 |
51.7 |
-1.4 |
0.145 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[CA]P:1014 |
1 |
1 |
85 |
f |
P |
x,y,z |
1_555 |
7 |
2 |
1445 |
37.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.433 |
34 |
|
[CA]R:1014 |
1 |
1 |
85 |
f |
R |
x,y,z |
1_555 |
5 |
2 |
1408 |
36.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.433 |
Average: |
37.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.433 |
27 |
35 |
|
[CA]P:1014 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
11310 |
28.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.178 |
36 |
|
[CA]R:1014 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
11073 |
28.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.178 |
Average: |
28.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.178 |
28 |
37 |
|
[EDO]A:1529 |
2 |
1 |
182 |
◊ |
R |
x,y,z |
1_555 |
1 |
1 |
1408 |
12.7 |
0.2 |
0.544 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[EDO]C:1530 |
2 |
1 |
185 |
f |
P |
x,y,z |
1_555 |
1 |
1 |
1445 |
11.5 |
0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
|