| ## |
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 |
|
A |
66 |
21 |
45524 |
◊ |
B |
-y,x-1,z+1/4 |
3_545 |
61 |
18 |
45529 |
643.1 |
-2.6 |
0.712 |
5 |
3 |
0 |
0.000 |
2 |
|
A |
62 |
19 |
45524 |
◊ |
B |
-y-1,x,z+1/4 |
3_455 |
66 |
21 |
45529 |
642.6 |
-2.5 |
0.717 |
5 |
3 |
0 |
0.000 |
| Average: |
642.8 |
-2.6 |
0.714 |
5 |
3 |
0 |
0.000 |
| 2 |
3 |
|
[TG1]B:1103 |
40 |
1 |
895 |
f |
B |
x,y,z |
1_555 |
77 |
23 |
45529 |
618.5 |
-7.8 |
0.242 |
1 |
0 |
0 |
0.031 |
4 |
|
[TG1]A:1003 |
40 |
1 |
895 |
f |
A |
x,y,z |
1_555 |
76 |
23 |
45524 |
618.3 |
-7.8 |
0.237 |
1 |
0 |
0 |
0.031 |
| Average: |
618.4 |
-7.8 |
0.239 |
1 |
0 |
0 |
0.031 |
| 3 |
5 |
|
A |
62 |
22 |
45524 |
◊ |
B |
-y,x,z+1/4 |
3_555 |
59 |
21 |
45529 |
509.5 |
-0.6 |
0.828 |
4 |
2 |
0 |
0.000 |
| 4 |
6 |
|
B |
60 |
14 |
45529 |
◊ |
A |
x,y-1,z |
1_545 |
50 |
14 |
45524 |
504.7 |
-6.7 |
0.316 |
7 |
1 |
0 |
0.000 |
7 |
|
B |
49 |
14 |
45529 |
◊ |
A |
x,y,z |
1_555 |
59 |
14 |
45524 |
502.0 |
-6.7 |
0.313 |
7 |
1 |
0 |
0.000 |
| Average: |
503.3 |
-6.7 |
0.315 |
7 |
1 |
0 |
0.000 |
| 5 |
8 |
|
[PTY]A:1011 |
19 |
1 |
522 |
f |
A |
x,y,z |
1_555 |
39 |
14 |
45524 |
298.3 |
-3.3 |
0.404 |
1 |
0 |
0 |
0.014 |
9 |
|
[PTY]B:1111 |
19 |
1 |
523 |
f |
B |
x,y,z |
1_555 |
38 |
14 |
45529 |
297.4 |
-3.4 |
0.406 |
1 |
0 |
0 |
0.014 |
| Average: |
297.9 |
-3.4 |
0.405 |
1 |
0 |
0 |
0.014 |
| 6 |
10 |
|
[BHQ]B:1104 |
14 |
1 |
416 |
f |
B |
x,y,z |
1_555 |
39 |
17 |
45529 |
280.0 |
2.6 |
0.433 |
2 |
0 |
0 |
0.000 |
11 |
|
[BHQ]A:1004 |
14 |
1 |
415 |
f |
A |
x,y,z |
1_555 |
39 |
17 |
45524 |
279.8 |
2.6 |
0.424 |
2 |
0 |
0 |
0.000 |
| Average: |
279.9 |
2.6 |
0.429 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
A |
31 |
12 |
45524 |
x |
A |
x-1,y,z |
1_455 |
24 |
10 |
45524 |
269.8 |
0.7 |
0.802 |
3 |
2 |
0 |
0.000 |
13 |
|
B |
25 |
10 |
45529 |
x |
B |
x-1,y,z |
1_455 |
31 |
12 |
45529 |
269.1 |
0.7 |
0.802 |
3 |
2 |
0 |
0.000 |
| Average: |
269.4 |
0.7 |
0.802 |
3 |
2 |
0 |
0.000 |
| 8 |
14 |
|
[PTY]B:1112 |
17 |
1 |
527 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
45529 |
229.6 |
-2.0 |
0.377 |
0 |
0 |
0 |
0.007 |
15 |
|
[PTY]A:1012 |
17 |
1 |
526 |
f |
A |
x,y,z |
1_555 |
26 |
9 |
45524 |
229.2 |
-1.9 |
0.393 |
0 |
0 |
0 |
0.007 |
| Average: |
229.4 |
-2.0 |
0.385 |
0 |
0 |
0 |
0.007 |
| 9 |
16 |
|
A |
13 |
6 |
45524 |
f |
[PTY]B:1113 |
x-1,y+1,z |
1_465 |
15 |
1 |
511 |
147.1 |
-2.1 |
0.347 |
1 |
0 |
0 |
0.009 |
17 |
|
[PTY]A:1013 |
15 |
1 |
512 |
f |
B |
x-1,y,z |
1_455 |
13 |
6 |
45529 |
146.4 |
-2.1 |
0.353 |
1 |
0 |
0 |
0.009 |
| Average: |
146.7 |
-2.1 |
0.350 |
1 |
0 |
0 |
0.009 |
| 10 |
18 |
|
[PTY]A:1013 |
11 |
1 |
512 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
45524 |
139.0 |
1.6 |
0.704 |
0 |
0 |
0 |
0.000 |
19 |
|
[PTY]B:1113 |
11 |
1 |
511 |
◊ |
B |
x,y,z |
1_555 |
19 |
9 |
45529 |
138.5 |
1.5 |
0.690 |
0 |
0 |
0 |
0.000 |
| Average: |
138.8 |
1.6 |
0.697 |
0 |
0 |
0 |
0.000 |
| 11 |
20 |
|
A |
9 |
1 |
45524 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
45529 |
81.9 |
-1.5 |
0.348 |
0 |
0 |
0 |
0.000 |
21 |
|
A |
11 |
3 |
45524 |
◊ |
B |
x-1,y+1,z |
1_465 |
9 |
1 |
45529 |
81.6 |
-1.5 |
0.362 |
0 |
0 |
0 |
0.000 |
| Average: |
81.7 |
-1.5 |
0.355 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
[NA]A:1000 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
45524 |
63.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.046 |
23 |
|
[NA]B:1100 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
45529 |
63.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
63.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.046 |
| 13 |
24 |
|
[PTY]B:1111 |
5 |
1 |
523 |
f |
[BHQ]B:1104 |
x,y,z |
1_555 |
8 |
1 |
416 |
60.1 |
0.6 |
0.314 |
1 |
0 |
0 |
0.000 |
25 |
|
[PTY]A:1011 |
5 |
1 |
522 |
f |
[BHQ]A:1004 |
x,y,z |
1_555 |
8 |
1 |
415 |
59.6 |
0.6 |
0.310 |
1 |
0 |
0 |
0.000 |
| Average: |
59.9 |
0.6 |
0.312 |
1 |
0 |
0 |
0.000 |
|