## |
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 |
211 |
55 |
12685 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
204 |
54 |
12707 |
2027.5 |
-19.4 |
0.334 |
24 |
5 |
0 |
0.586 |
2 |
|
C |
206 |
54 |
12680 |
◊ |
C |
-x-1,y,-z+1 |
2_456 |
208 |
54 |
12680 |
2024.8 |
-19.9 |
0.374 |
24 |
4 |
0 |
0.586 |
3 |
|
B |
205 |
54 |
12693 |
◊ |
B |
-x-1,y,-z |
2_455 |
206 |
54 |
12693 |
2008.4 |
-19.2 |
0.331 |
27 |
4 |
0 |
0.586 |
Average: |
2020.2 |
-19.5 |
0.346 |
25 |
4 |
0 |
0.586 |
2 |
4 |
|
[OED]B:601 |
32 |
1 |
673 |
◊ |
B |
x,y,z |
1_555 |
57 |
19 |
12693 |
434.2 |
0.6 |
0.368 |
5 |
0 |
0 |
0.000 |
5 |
|
[OED]C:601 |
32 |
1 |
675 |
◊ |
C |
x,y,z |
1_555 |
56 |
19 |
12680 |
433.5 |
1.4 |
0.355 |
3 |
0 |
0 |
0.000 |
6 |
|
[OED]D:601 |
32 |
1 |
677 |
◊ |
D |
x,y,z |
1_555 |
57 |
19 |
12707 |
431.2 |
0.4 |
0.323 |
4 |
0 |
0 |
0.000 |
7 |
|
[OED]A:601 |
32 |
1 |
673 |
◊ |
A |
x,y,z |
1_555 |
55 |
17 |
12685 |
430.6 |
0.6 |
0.323 |
3 |
0 |
0 |
0.000 |
Average: |
432.4 |
0.8 |
0.342 |
4 |
0 |
0 |
0.000 |
3 |
8 |
|
[UMP]B:600 |
19 |
1 |
454 |
f |
B |
x,y,z |
1_555 |
35 |
17 |
12693 |
251.8 |
-1.5 |
0.610 |
11 |
0 |
0 |
0.253 |
9 |
|
[UMP]C:600 |
19 |
1 |
452 |
f |
C |
x,y,z |
1_555 |
35 |
17 |
12680 |
249.9 |
-2.4 |
0.531 |
11 |
0 |
0 |
0.253 |
10 |
|
[UMP]A:600 |
19 |
1 |
451 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
12685 |
249.0 |
-1.7 |
0.601 |
11 |
0 |
0 |
0.253 |
11 |
|
[UMP]D:600 |
19 |
1 |
451 |
f |
D |
x,y,z |
1_555 |
33 |
16 |
12707 |
247.5 |
-1.8 |
0.586 |
11 |
0 |
0 |
0.253 |
Average: |
249.6 |
-1.8 |
0.582 |
11 |
0 |
0 |
0.253 |
4 |
12 |
|
D |
27 |
9 |
12707 |
◊ |
C |
x,y,z |
1_555 |
24 |
6 |
12680 |
215.2 |
0.4 |
0.716 |
2 |
0 |
0 |
0.000 |
13 |
|
B |
26 |
9 |
12693 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
12685 |
210.4 |
2.2 |
0.898 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
28 |
9 |
12685 |
◊ |
B |
x-1/2,y-1/2,z |
3_445 |
23 |
5 |
12693 |
201.0 |
-0.1 |
0.708 |
1 |
0 |
0 |
0.000 |
15 |
|
C |
24 |
8 |
12680 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
20 |
6 |
12707 |
185.2 |
-0.2 |
0.714 |
2 |
0 |
0 |
0.000 |
Average: |
202.9 |
0.6 |
0.759 |
2 |
0 |
0 |
0.000 |
5 |
16 |
|
A |
15 |
5 |
12685 |
x |
D |
x-1,y,z |
1_455 |
16 |
8 |
12707 |
165.0 |
-0.5 |
0.611 |
1 |
0 |
0 |
0.000 |
17 |
|
D |
16 |
5 |
12707 |
x |
A |
x,y,z |
1_555 |
16 |
7 |
12685 |
158.7 |
-0.2 |
0.646 |
1 |
0 |
0 |
0.000 |
18 |
|
B |
14 |
5 |
12693 |
x |
B |
-x-1/2,y-1/2,-z |
4_445 |
16 |
8 |
12693 |
153.2 |
-0.5 |
0.610 |
1 |
0 |
0 |
0.000 |
19 |
|
C |
15 |
7 |
12680 |
x |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
14 |
5 |
12680 |
148.7 |
-0.7 |
0.582 |
1 |
0 |
0 |
0.000 |
Average: |
156.4 |
-0.5 |
0.612 |
1 |
0 |
0 |
0.000 |
6 |
20 |
|
D |
11 |
3 |
12707 |
◊ |
C |
-x,y,-z+1 |
2_556 |
21 |
10 |
12680 |
151.0 |
-0.1 |
0.707 |
3 |
0 |
0 |
0.000 |
21 |
|
A |
10 |
3 |
12685 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
20 |
9 |
12693 |
145.8 |
0.0 |
0.715 |
3 |
0 |
0 |
0.000 |
22 |
|
B |
10 |
3 |
12693 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
20 |
9 |
12707 |
141.9 |
0.0 |
0.719 |
2 |
0 |
0 |
0.000 |
23 |
|
C |
11 |
4 |
12680 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
12685 |
135.7 |
-0.2 |
0.682 |
1 |
0 |
0 |
0.000 |
Average: |
143.6 |
-0.1 |
0.706 |
2 |
0 |
0 |
0.000 |
7 |
24 |
|
[UMP]A:600 |
8 |
1 |
451 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
11 |
2 |
12707 |
86.6 |
-2.4 |
0.357 |
3 |
0 |
0 |
0.152 |
25 |
|
A |
15 |
2 |
12685 |
◊ |
[UMP]D:600 |
x-1/2,y-1/2,z |
3_445 |
9 |
1 |
451 |
83.9 |
-2.8 |
0.361 |
0 |
0 |
0 |
0.152 |
26 |
|
[UMP]C:600 |
8 |
1 |
452 |
◊ |
C |
-x-1,y,-z+1 |
2_456 |
13 |
2 |
12680 |
80.4 |
-2.6 |
0.364 |
4 |
0 |
0 |
0.152 |
27 |
|
[UMP]B:600 |
8 |
1 |
454 |
◊ |
B |
-x-1,y,-z |
2_455 |
14 |
2 |
12693 |
79.9 |
-2.7 |
0.356 |
3 |
0 |
0 |
0.152 |
Average: |
82.7 |
-2.6 |
0.359 |
3 |
0 |
0 |
0.152 |
8 |
28 |
|
[OED]B:601 |
13 |
1 |
673 |
◊ |
[UMP]B:600 |
x,y,z |
1_555 |
13 |
1 |
454 |
78.2 |
3.2 |
0.671 |
1 |
0 |
0 |
0.000 |
29 |
|
[OED]C:601 |
13 |
1 |
675 |
◊ |
[UMP]C:600 |
x,y,z |
1_555 |
13 |
1 |
452 |
77.9 |
3.3 |
0.639 |
1 |
0 |
0 |
0.000 |
30 |
|
[OED]A:601 |
13 |
1 |
673 |
◊ |
[UMP]A:600 |
x,y,z |
1_555 |
13 |
1 |
451 |
77.8 |
3.2 |
0.663 |
1 |
0 |
0 |
0.000 |
31 |
|
[OED]D:601 |
13 |
1 |
677 |
◊ |
[UMP]D:600 |
x,y,z |
1_555 |
13 |
1 |
451 |
77.7 |
3.2 |
0.667 |
1 |
0 |
0 |
0.000 |
Average: |
77.9 |
3.2 |
0.660 |
1 |
0 |
0 |
0.000 |
9 |
32 |
|
[OED]A:601 |
6 |
1 |
673 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
12693 |
67.2 |
-0.8 |
0.321 |
0 |
0 |
0 |
0.055 |
33 |
|
[OED]C:601 |
5 |
1 |
675 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
12707 |
63.3 |
-1.3 |
0.199 |
0 |
0 |
0 |
0.055 |
34 |
|
C |
5 |
2 |
12680 |
f |
[OED]D:601 |
x-1/2,y+1/2,z |
3_455 |
5 |
1 |
677 |
62.1 |
-1.6 |
0.159 |
0 |
0 |
0 |
0.055 |
35 |
|
A |
6 |
2 |
12685 |
f |
[OED]B:601 |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
673 |
38.2 |
-0.6 |
0.341 |
0 |
0 |
0 |
0.055 |
Average: |
57.7 |
-1.1 |
0.255 |
0 |
0 |
0 |
0.055 |
10 |
36 |
|
C |
3 |
1 |
12680 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
12707 |
23.3 |
0.4 |
0.780 |
0 |
0 |
0 |
0.000 |
37 |
|
B |
3 |
1 |
12693 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
2 |
1 |
12685 |
13.3 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
Average: |
18.3 |
0.3 |
0.772 |
0 |
0 |
0 |
0.000 |
|