| ## |
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 |
|
F |
165 |
41 |
8356 |
◊ |
E |
x,y,z |
1_555 |
173 |
43 |
8249 |
1592.7 |
-10.5 |
0.281 |
23 |
0 |
0 |
0.412 |
2 |
|
D |
166 |
43 |
8085 |
◊ |
C |
x,y,z |
1_555 |
165 |
41 |
8325 |
1565.6 |
-9.9 |
0.331 |
22 |
0 |
0 |
0.412 |
3 |
|
H |
157 |
40 |
8051 |
◊ |
G |
x,y,z |
1_555 |
162 |
42 |
8158 |
1560.5 |
-11.5 |
0.275 |
23 |
0 |
0 |
0.412 |
4 |
|
B |
162 |
40 |
8182 |
◊ |
A |
x,y,z |
1_555 |
161 |
41 |
8155 |
1538.7 |
-10.0 |
0.276 |
22 |
0 |
0 |
0.412 |
| Average: |
1564.4 |
-10.5 |
0.291 |
23 |
0 |
0 |
0.412 |
| 2 |
5 |
|
F |
127 |
30 |
8356 |
◊ |
D |
x,y,z |
1_555 |
142 |
35 |
8085 |
1167.5 |
-14.3 |
0.123 |
16 |
4 |
0 |
0.454 |
6 |
|
H |
123 |
32 |
8051 |
◊ |
E |
x,y,z |
1_555 |
119 |
31 |
8249 |
1060.3 |
-7.6 |
0.324 |
11 |
1 |
0 |
0.454 |
7 |
|
C |
123 |
30 |
8325 |
◊ |
A |
x,y,z |
1_555 |
119 |
33 |
8155 |
1037.1 |
-10.3 |
0.211 |
12 |
2 |
0 |
0.454 |
8 |
|
G |
117 |
30 |
8158 |
◊ |
B |
x,y,z |
1_555 |
122 |
34 |
8182 |
1027.9 |
-9.1 |
0.265 |
12 |
2 |
0 |
0.454 |
| Average: |
1073.2 |
-10.3 |
0.231 |
13 |
2 |
0 |
0.454 |
| 3 |
9 |
|
[TYD]A:201 |
21 |
1 |
528 |
f |
A |
x,y,z |
1_555 |
38 |
12 |
8155 |
263.3 |
-8.1 |
0.634 |
7 |
0 |
0 |
0.636 |
10 |
|
[TYD]D:201 |
21 |
1 |
529 |
f |
D |
x,y,z |
1_555 |
39 |
11 |
8085 |
262.4 |
-9.0 |
0.565 |
7 |
0 |
0 |
0.636 |
11 |
|
[TYD]G:201 |
20 |
1 |
532 |
f |
G |
x,y,z |
1_555 |
39 |
11 |
8158 |
262.0 |
-7.9 |
0.648 |
9 |
0 |
0 |
0.636 |
12 |
|
[TYD]E:201 |
21 |
1 |
526 |
f |
E |
x,y,z |
1_555 |
37 |
10 |
8249 |
262.0 |
-7.9 |
0.632 |
6 |
0 |
0 |
0.636 |
13 |
|
[TYD]H:201 |
21 |
1 |
535 |
f |
H |
x,y,z |
1_555 |
37 |
11 |
8051 |
260.8 |
-7.6 |
0.662 |
9 |
0 |
0 |
0.636 |
14 |
|
[TYD]B:201 |
21 |
1 |
526 |
f |
B |
x,y,z |
1_555 |
35 |
10 |
8182 |
260.8 |
-9.0 |
0.595 |
6 |
0 |
0 |
0.636 |
15 |
|
[TYD]C:201 |
21 |
1 |
519 |
f |
C |
x,y,z |
1_555 |
37 |
10 |
8325 |
259.2 |
-8.7 |
0.557 |
8 |
0 |
0 |
0.636 |
16 |
|
[TYD]F:201 |
20 |
1 |
515 |
f |
F |
x,y,z |
1_555 |
37 |
10 |
8356 |
243.2 |
-7.3 |
0.620 |
6 |
0 |
0 |
0.636 |
| Average: |
259.2 |
-8.2 |
0.614 |
7 |
0 |
0 |
0.636 |
| 4 |
17 |
|
C |
24 |
7 |
8325 |
◊ |
B |
-x,y,-z+1 |
2_556 |
24 |
6 |
8182 |
224.2 |
0.5 |
0.633 |
2 |
2 |
0 |
0.002 |
| 5 |
18 |
|
C |
23 |
8 |
8325 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
24 |
8 |
8249 |
207.1 |
1.6 |
0.771 |
3 |
2 |
0 |
0.000 |
| 6 |
19 |
|
D |
19 |
11 |
8085 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
24 |
9 |
8158 |
201.5 |
2.8 |
0.870 |
4 |
6 |
0 |
0.000 |
| 7 |
20 |
|
[PXN]D:202 |
14 |
1 |
617 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
28 |
6 |
8155 |
188.6 |
-2.2 |
0.503 |
1 |
0 |
0 |
0.000 |
| 8 |
21 |
|
[PXN]D:202 |
14 |
1 |
617 |
f |
D |
x,y,z |
1_555 |
28 |
8 |
8085 |
186.9 |
-3.9 |
0.405 |
1 |
0 |
0 |
0.090 |
| 9 |
22 |
|
[TYD]E:201 |
22 |
1 |
526 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
8356 |
185.5 |
-4.1 |
0.532 |
2 |
0 |
0 |
0.179 |
23 |
|
[TYD]H:201 |
20 |
1 |
535 |
◊ |
G |
x,y,z |
1_555 |
15 |
6 |
8158 |
180.7 |
-2.7 |
0.690 |
2 |
0 |
0 |
0.179 |
24 |
|
[TYD]A:201 |
21 |
1 |
528 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
8182 |
179.6 |
-2.3 |
0.631 |
3 |
0 |
0 |
0.179 |
25 |
|
[TYD]D:201 |
21 |
1 |
529 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
8325 |
178.0 |
-2.7 |
0.464 |
3 |
0 |
0 |
0.179 |
26 |
|
[TYD]C:201 |
21 |
1 |
519 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
8085 |
177.4 |
-1.7 |
0.697 |
3 |
0 |
0 |
0.179 |
27 |
|
[TYD]G:201 |
19 |
1 |
532 |
◊ |
H |
x,y,z |
1_555 |
16 |
6 |
8051 |
176.3 |
-3.1 |
0.479 |
2 |
0 |
0 |
0.179 |
28 |
|
[TYD]B:201 |
21 |
1 |
526 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
8155 |
175.5 |
-2.3 |
0.763 |
2 |
0 |
0 |
0.179 |
29 |
|
[TYD]F:201 |
20 |
1 |
515 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
8249 |
162.5 |
-3.6 |
0.401 |
1 |
0 |
0 |
0.179 |
| Average: |
176.9 |
-2.8 |
0.582 |
2 |
0 |
0 |
0.179 |
| 10 |
30 |
|
F |
25 |
5 |
8356 |
◊ |
F |
-x,y,-z+1 |
2_556 |
25 |
5 |
8356 |
167.5 |
-1.8 |
0.430 |
2 |
0 |
0 |
0.027 |
| 11 |
31 |
|
D |
20 |
9 |
8085 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
18 |
9 |
8155 |
160.5 |
2.7 |
0.872 |
4 |
4 |
0 |
0.000 |
| 12 |
32 |
|
H |
22 |
8 |
8051 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
5 |
8182 |
157.3 |
1.0 |
0.744 |
2 |
1 |
0 |
0.000 |
| 13 |
33 |
|
H |
10 |
5 |
8051 |
◊ |
F |
-x,y,-z+1 |
2_556 |
13 |
5 |
8356 |
91.8 |
0.7 |
0.672 |
0 |
0 |
0 |
0.000 |
| 14 |
34 |
|
[TYD]F:201 |
6 |
1 |
515 |
◊ |
F |
-x,y,-z+1 |
2_556 |
7 |
2 |
8356 |
55.0 |
0.2 |
0.792 |
1 |
0 |
0 |
0.005 |
| 15 |
35 |
|
F |
6 |
2 |
8356 |
◊ |
E |
-x,y,-z+1 |
2_556 |
6 |
3 |
8249 |
48.1 |
-0.2 |
0.547 |
0 |
0 |
0 |
0.000 |
| 16 |
36 |
|
C |
3 |
1 |
8325 |
◊ |
A |
-x-1/2,y-1/2,-z |
4_445 |
6 |
2 |
8155 |
47.2 |
1.7 |
0.854 |
1 |
2 |
0 |
0.000 |
37 |
|
D |
5 |
2 |
8085 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
8182 |
44.6 |
1.6 |
0.838 |
1 |
1 |
0 |
0.000 |
| Average: |
45.9 |
1.6 |
0.846 |
1 |
2 |
0 |
0.000 |
| 17 |
38 |
|
H |
2 |
1 |
8051 |
◊ |
D |
-x,y,-z+1 |
2_556 |
4 |
3 |
8085 |
34.1 |
0.2 |
0.626 |
1 |
0 |
0 |
0.000 |
| 18 |
39 |
|
F |
3 |
1 |
8356 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
2 |
8182 |
33.2 |
0.6 |
0.788 |
1 |
1 |
0 |
0.000 |
| 19 |
40 |
|
A |
4 |
1 |
8155 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
8249 |
27.8 |
0.7 |
0.843 |
1 |
1 |
0 |
0.000 |
41 |
|
C |
1 |
1 |
8325 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
8051 |
11.9 |
0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
| Average: |
19.8 |
0.4 |
0.715 |
1 |
1 |
0 |
0.000 |
| 20 |
42 |
|
A |
2 |
1 |
8155 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
1 |
8155 |
23.0 |
1.1 |
0.919 |
0 |
0 |
0 |
0.000 |
| 21 |
43 |
|
C |
1 |
1 |
8325 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
8182 |
2.3 |
-0.1 |
0.523 |
0 |
0 |
0 |
0.000 |
| 22 |
44 |
|
G |
1 |
1 |
8158 |
◊ |
G |
-x,y,-z |
2_555 |
1 |
1 |
8158 |
2.1 |
0.0 |
0.716 |
0 |
0 |
0 |
0.000 |
| 23 |
45 |
|
F |
2 |
2 |
8356 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
2 |
2 |
8158 |
1.8 |
0.0 |
0.653 |
0 |
0 |
0 |
0.000 |
|