| ## |
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 |
171 |
47 |
14708 |
◊ |
B |
x,y,z |
1_555 |
172 |
47 |
14742 |
1633.5 |
-8.4 |
0.307 |
36 |
24 |
0 |
0.328 |
2 |
|
C |
170 |
46 |
14574 |
◊ |
A |
x,y,z |
1_555 |
173 |
47 |
14676 |
1629.1 |
-8.7 |
0.300 |
37 |
24 |
0 |
0.328 |
| Average: |
1631.3 |
-8.5 |
0.304 |
37 |
24 |
0 |
0.328 |
| 2 |
3 |
|
D |
162 |
38 |
14708 |
◊ |
C |
x,y,z |
1_555 |
166 |
38 |
14574 |
1583.9 |
-7.2 |
0.358 |
27 |
24 |
0 |
0.280 |
4 |
|
B |
162 |
37 |
14742 |
◊ |
A |
x,y,z |
1_555 |
166 |
38 |
14676 |
1580.6 |
-7.6 |
0.307 |
26 |
22 |
0 |
0.280 |
| Average: |
1582.3 |
-7.4 |
0.333 |
27 |
23 |
0 |
0.280 |
| 3 |
5 |
|
C |
64 |
14 |
14574 |
◊ |
B |
x,y,z |
1_555 |
65 |
14 |
14742 |
492.8 |
-8.5 |
0.055 |
2 |
0 |
0 |
0.072 |
6 |
|
D |
61 |
14 |
14708 |
◊ |
A |
x,y,z |
1_555 |
65 |
14 |
14676 |
487.3 |
-7.1 |
0.101 |
2 |
0 |
0 |
0.072 |
| Average: |
490.1 |
-7.8 |
0.078 |
2 |
0 |
0 |
0.072 |
| 4 |
7 |
|
A |
42 |
11 |
14676 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
43 |
12 |
14742 |
384.2 |
-1.6 |
0.459 |
4 |
4 |
0 |
0.054 |
| 5 |
8 |
|
D |
29 |
10 |
14708 |
◊ |
D |
-x+1,-y,z |
2_655 |
29 |
10 |
14708 |
297.3 |
-5.5 |
0.057 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
C |
22 |
7 |
14574 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
30 |
10 |
14708 |
215.9 |
-1.2 |
0.418 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
17 |
5 |
14742 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
16 |
5 |
14676 |
158.1 |
0.6 |
0.689 |
4 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[XXG]C:502 |
13 |
1 |
321 |
f |
C |
x,y,z |
1_555 |
32 |
14 |
14574 |
152.4 |
0.7 |
0.113 |
7 |
0 |
0 |
0.072 |
12 |
|
[XXG]D:502 |
13 |
1 |
322 |
f |
D |
x,y,z |
1_555 |
30 |
14 |
14708 |
151.8 |
-0.3 |
0.049 |
8 |
0 |
0 |
0.072 |
| Average: |
152.1 |
0.2 |
0.081 |
8 |
0 |
0 |
0.072 |
| 9 |
13 |
|
[GOL]D:503 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
14708 |
110.0 |
-0.4 |
0.508 |
5 |
0 |
0 |
0.029 |
| 10 |
14 |
|
[GOL]C:503 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
14574 |
99.3 |
0.1 |
0.643 |
3 |
0 |
0 |
0.015 |
| 11 |
15 |
|
[GOL]B:503 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14742 |
92.3 |
-1.1 |
0.395 |
0 |
0 |
0 |
0.031 |
16 |
|
[GOL]A:502 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14676 |
91.0 |
-1.2 |
0.363 |
0 |
0 |
0 |
0.031 |
| Average: |
91.7 |
-1.1 |
0.379 |
0 |
0 |
0 |
0.031 |
| 12 |
17 |
|
[GOL]D:504 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
14708 |
87.4 |
-0.3 |
0.506 |
1 |
0 |
0 |
0.008 |
| 13 |
18 |
|
[GOL]C:504 |
6 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
14574 |
87.0 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.005 |
| 14 |
19 |
|
[FE2]A:500 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
14676 |
75.7 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.443 |
20 |
|
[FE2]B:500 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
14742 |
75.4 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.443 |
21 |
|
[FE2]C:500 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
14574 |
53.1 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.443 |
22 |
|
[FE2]D:500 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
14708 |
52.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.443 |
| Average: |
64.3 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.443 |
| 15 |
23 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14676 |
73.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.310 |
24 |
|
[CL]B:502 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14742 |
73.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.310 |
25 |
|
[CL]C:501 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
14574 |
49.1 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.310 |
26 |
|
[CL]D:501 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
14708 |
48.1 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.310 |
| Average: |
60.8 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.310 |
| 16 |
27 |
|
B |
9 |
3 |
14742 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
14574 |
67.8 |
-1.0 |
0.123 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[XXG]D:502 |
4 |
1 |
322 |
f |
[CL]D:501 |
x,y,z |
1_555 |
1 |
1 |
125 |
40.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.089 |
29 |
|
[XXG]C:502 |
4 |
1 |
321 |
f |
[CL]C:501 |
x,y,z |
1_555 |
1 |
1 |
125 |
40.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.089 |
| Average: |
40.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.089 |
| 18 |
30 |
|
[XXG]D:502 |
5 |
1 |
322 |
f |
[FE2]D:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
31 |
|
[XXG]C:502 |
5 |
1 |
321 |
f |
[FE2]C:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
38.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
38.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.091 |
| 19 |
32 |
|
[CA]B:501 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
14742 |
35.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.162 |
33 |
|
A |
8 |
4 |
14676 |
◊ |
[CA]B:501 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
85 |
35.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.162 |
| Average: |
35.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.162 |
| 20 |
34 |
|
[GOL]C:504 |
2 |
1 |
214 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
14676 |
20.9 |
0.5 |
0.804 |
1 |
0 |
0 |
0.000 |
| 21 |
35 |
|
[GOL]D:504 |
3 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14742 |
17.3 |
0.3 |
0.679 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
[GOL]B:503 |
3 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14708 |
17.1 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
37 |
|
[GOL]A:502 |
3 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14574 |
15.8 |
0.4 |
0.676 |
0 |
0 |
0 |
0.000 |
| Average: |
16.4 |
0.3 |
0.677 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[GOL]D:504 |
2 |
1 |
219 |
f |
[GOL]D:503 |
x,y,z |
1_555 |
1 |
1 |
219 |
12.0 |
0.3 |
0.540 |
0 |
0 |
0 |
0.000 |
| 24 |
39 |
|
[GOL]A:502 |
2 |
1 |
221 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
14742 |
11.0 |
-0.4 |
0.297 |
0 |
0 |
0 |
0.007 |
40 |
|
[GOL]B:503 |
1 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
14676 |
10.7 |
-0.2 |
0.283 |
0 |
0 |
0 |
0.007 |
41 |
|
[GOL]D:504 |
1 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14574 |
3.3 |
-0.1 |
0.348 |
0 |
0 |
0 |
0.007 |
| Average: |
8.3 |
-0.2 |
0.309 |
0 |
0 |
0 |
0.007 |
| 25 |
42 |
|
D |
1 |
1 |
14708 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
1 |
1 |
14676 |
4.8 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
|