| ## |
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 |
105 |
26 |
9600 |
◊ |
C |
x,y,z |
1_555 |
105 |
25 |
9178 |
983.4 |
1.6 |
0.718 |
20 |
12 |
0 |
0.000 |
2 |
|
B |
104 |
25 |
9074 |
◊ |
A |
x,y,z |
1_555 |
100 |
25 |
9448 |
977.3 |
0.5 |
0.626 |
19 |
12 |
0 |
0.000 |
| Average: |
980.4 |
1.1 |
0.672 |
20 |
12 |
0 |
0.000 |
| 2 |
3 |
|
D |
71 |
23 |
9600 |
◊ |
A |
x-1,y,z |
1_455 |
68 |
19 |
9448 |
630.4 |
-2.8 |
0.337 |
6 |
3 |
0 |
0.241 |
4 |
|
C |
65 |
18 |
9178 |
◊ |
B |
x,y,z |
1_555 |
69 |
22 |
9074 |
619.2 |
-3.3 |
0.359 |
6 |
2 |
0 |
0.241 |
| Average: |
624.8 |
-3.0 |
0.348 |
6 |
3 |
0 |
0.241 |
| 3 |
5 |
|
D |
35 |
8 |
9600 |
◊ |
B |
x-1,y,z-1 |
1_454 |
42 |
12 |
9074 |
341.4 |
-2.3 |
0.348 |
3 |
4 |
0 |
0.000 |
| 4 |
6 |
|
C |
22 |
9 |
9178 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
22 |
9 |
9074 |
234.3 |
1.6 |
0.775 |
1 |
2 |
0 |
0.000 |
7 |
|
D |
20 |
8 |
9600 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
23 |
9 |
9448 |
211.8 |
2.5 |
0.812 |
2 |
2 |
0 |
0.000 |
| Average: |
223.0 |
2.1 |
0.794 |
2 |
2 |
0 |
0.000 |
| 5 |
8 |
|
D |
24 |
7 |
9600 |
◊ |
A |
x-1,y,z-1 |
1_454 |
19 |
6 |
9448 |
201.3 |
0.9 |
0.658 |
2 |
0 |
0 |
0.000 |
| 6 |
9 |
|
C |
20 |
6 |
9178 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
20 |
6 |
9448 |
192.9 |
-2.2 |
0.257 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
[GOL]D:301 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
27 |
13 |
9600 |
146.0 |
-0.5 |
0.545 |
2 |
0 |
0 |
0.100 |
| 8 |
11 |
|
[GOL]A:302 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
9448 |
143.9 |
0.5 |
0.587 |
3 |
0 |
0 |
0.036 |
| 9 |
12 |
|
[GOL]B:301 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
28 |
14 |
9074 |
140.9 |
-0.6 |
0.498 |
2 |
0 |
0 |
0.042 |
| 10 |
13 |
|
[GOL]C:301 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
9178 |
140.8 |
-0.4 |
0.501 |
2 |
0 |
0 |
0.036 |
| 11 |
14 |
|
D |
21 |
9 |
9600 |
◊ |
[GOL]A:301 |
x-1,y,z |
1_455 |
6 |
1 |
221 |
104.8 |
0.3 |
0.605 |
4 |
0 |
0 |
0.060 |
15 |
|
[GOL]B:302 |
6 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
9074 |
104.2 |
0.3 |
0.594 |
4 |
0 |
0 |
0.060 |
| Average: |
104.5 |
0.3 |
0.600 |
4 |
0 |
0 |
0.060 |
| 12 |
16 |
|
[GOL]B:303 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
9074 |
96.2 |
-0.1 |
0.575 |
2 |
0 |
0 |
0.028 |
| 13 |
17 |
|
[GOL]B:302 |
4 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
9178 |
87.4 |
-1.2 |
0.316 |
1 |
0 |
0 |
0.067 |
18 |
|
[GOL]A:301 |
5 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
9448 |
87.2 |
-1.2 |
0.337 |
1 |
0 |
0 |
0.067 |
| Average: |
87.3 |
-1.2 |
0.326 |
1 |
0 |
0 |
0.067 |
| 14 |
19 |
|
[GOL]A:303 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
9448 |
86.9 |
-0.7 |
0.425 |
0 |
0 |
0 |
0.030 |
| 15 |
20 |
|
B |
11 |
2 |
9074 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
12 |
2 |
9600 |
85.4 |
-1.3 |
0.322 |
0 |
0 |
0 |
0.000 |
| 16 |
21 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
9074 |
67.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.196 |
| 17 |
22 |
|
[CL]A:304 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
9448 |
56.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.289 |
23 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
9178 |
55.9 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.289 |
| Average: |
56.1 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.289 |
| 18 |
24 |
|
B |
3 |
2 |
9074 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
9448 |
55.1 |
0.8 |
0.681 |
0 |
0 |
0 |
0.000 |
| 19 |
25 |
|
[CL]B:304 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
9074 |
42.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.221 |
26 |
|
D |
7 |
3 |
9600 |
◊ |
[CL]A:304 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
42.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.221 |
| Average: |
42.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.221 |
| 20 |
27 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
[GOL]B:301 |
x,y,z |
1_555 |
3 |
1 |
217 |
26.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.074 |
| 21 |
28 |
|
D |
1 |
1 |
9600 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9074 |
14.9 |
0.3 |
0.836 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
A |
2 |
1 |
9448 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
9448 |
13.1 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
30 |
|
C |
2 |
1 |
9178 |
x |
C |
-x,y-1/2,-z |
2_545 |
2 |
1 |
9178 |
10.9 |
-0.3 |
0.388 |
0 |
0 |
0 |
0.000 |
| Average: |
12.0 |
-0.2 |
0.424 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
C |
3 |
2 |
9178 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9448 |
10.6 |
0.5 |
0.781 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
1 |
1 |
9178 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
9448 |
9.0 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
| Average: |
9.8 |
0.4 |
0.776 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
A |
1 |
1 |
9448 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
2 |
9600 |
7.7 |
0.3 |
0.800 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
1 |
1 |
9074 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
1 |
1 |
9178 |
0.4 |
0.0 |
0.642 |
0 |
0 |
0 |
0.000 |
| Average: |
4.1 |
0.2 |
0.721 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[GOL]B:303 |
1 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9448 |
0.5 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
C |
1 |
1 |
9178 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
9448 |
0.4 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
|