## |
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 |
|
C |
175 |
50 |
13463 |
◊ |
B |
x,y,z |
1_555 |
179 |
52 |
13357 |
1765.5 |
-21.4 |
0.079 |
17 |
0 |
0 |
0.086 |
2 |
|
D |
178 |
50 |
13460 |
◊ |
A |
x,y,z |
1_555 |
174 |
51 |
13487 |
1757.5 |
-20.7 |
0.105 |
15 |
0 |
0 |
0.086 |
Average: |
1761.5 |
-21.0 |
0.092 |
16 |
0 |
0 |
0.086 |
2 |
3 |
|
D |
91 |
27 |
13460 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
90 |
27 |
13357 |
894.5 |
-9.0 |
0.246 |
10 |
8 |
0 |
0.045 |
4 |
|
A |
84 |
27 |
13487 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
86 |
27 |
13463 |
822.8 |
-9.4 |
0.207 |
7 |
8 |
0 |
0.045 |
Average: |
858.6 |
-9.2 |
0.226 |
9 |
8 |
0 |
0.045 |
3 |
5 |
|
B |
86 |
25 |
13357 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
78 |
24 |
13463 |
736.6 |
-0.1 |
0.728 |
14 |
4 |
0 |
0.000 |
4 |
6 |
|
D |
41 |
12 |
13460 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
40 |
10 |
13463 |
346.0 |
-4.3 |
0.279 |
2 |
0 |
0 |
0.014 |
7 |
|
A |
42 |
11 |
13487 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
40 |
11 |
13357 |
345.0 |
-4.3 |
0.297 |
2 |
0 |
0 |
0.014 |
Average: |
345.5 |
-4.3 |
0.288 |
2 |
0 |
0 |
0.014 |
5 |
8 |
|
B |
27 |
8 |
13357 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
29 |
9 |
13463 |
250.7 |
0.7 |
0.760 |
1 |
0 |
0 |
0.000 |
9 |
|
A |
31 |
9 |
13487 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
8 |
13460 |
227.5 |
-0.1 |
0.658 |
1 |
0 |
0 |
0.000 |
Average: |
239.1 |
0.3 |
0.709 |
1 |
0 |
0 |
0.000 |
6 |
10 |
|
[3YP]A:1452 |
11 |
1 |
328 |
f |
A |
x,y,z |
1_555 |
36 |
15 |
13487 |
191.7 |
-4.4 |
0.325 |
2 |
0 |
0 |
0.016 |
7 |
11 |
|
[3YP]C:1652 |
11 |
1 |
321 |
f |
C |
x,y,z |
1_555 |
34 |
15 |
13463 |
182.0 |
-4.3 |
0.347 |
3 |
0 |
0 |
0.017 |
8 |
12 |
|
[3YP]D:1752 |
11 |
1 |
323 |
f |
D |
x,y,z |
1_555 |
33 |
15 |
13460 |
181.7 |
-4.1 |
0.346 |
3 |
0 |
0 |
0.017 |
9 |
13 |
|
[3YP]B:1552 |
11 |
1 |
316 |
f |
B |
x,y,z |
1_555 |
34 |
16 |
13357 |
177.6 |
-5.2 |
0.199 |
4 |
0 |
0 |
0.022 |
10 |
14 |
|
B |
20 |
8 |
13357 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
16 |
8 |
13460 |
155.5 |
1.9 |
0.894 |
3 |
4 |
0 |
0.000 |
11 |
15 |
|
[K]B:1549 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
13357 |
116.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.674 |
16 |
|
[K]C:1649 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
13463 |
115.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.674 |
17 |
|
[K]A:1449 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
13487 |
114.2 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.674 |
18 |
|
[K]D:1749 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
13460 |
113.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.674 |
Average: |
114.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.674 |
12 |
19 |
|
A |
10 |
3 |
13487 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
8 |
3 |
13357 |
72.6 |
-1.0 |
0.398 |
0 |
1 |
0 |
0.000 |
13 |
20 |
|
[3YP]A:1452 |
3 |
1 |
328 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
13460 |
35.9 |
-1.1 |
0.246 |
0 |
0 |
0 |
0.003 |
14 |
21 |
|
[ZN]A:1451 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
7 |
13487 |
35.0 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.157 |
22 |
|
[ZN]C:1651 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
7 |
13463 |
35.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.157 |
23 |
|
[ZN]B:1551 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
7 |
13357 |
34.7 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.157 |
24 |
|
[ZN]D:1751 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
7 |
13460 |
34.2 |
-24.2 |
0.000 |
0 |
0 |
0 |
0.157 |
Average: |
34.7 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.157 |
15 |
25 |
|
[3YP]B:1552 |
3 |
1 |
316 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
13463 |
33.0 |
-1.1 |
0.287 |
0 |
0 |
0 |
0.003 |
16 |
26 |
|
[3YP]C:1652 |
2 |
1 |
321 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
13357 |
31.2 |
-1.0 |
0.268 |
0 |
0 |
0 |
0.003 |
17 |
27 |
|
[ZN]D:1751 |
1 |
1 |
98 |
cf |
[3YP]D:1752 |
x,y,z |
1_555 |
4 |
1 |
323 |
30.0 |
-14.0 |
0.000 |
0 |
0 |
0 |
0.085 |
28 |
|
[ZN]C:1651 |
1 |
1 |
98 |
f |
[3YP]C:1652 |
x,y,z |
1_555 |
4 |
1 |
321 |
29.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.085 |
29 |
|
[ZN]A:1451 |
1 |
1 |
98 |
f |
[3YP]A:1452 |
x,y,z |
1_555 |
5 |
1 |
328 |
29.4 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.085 |
30 |
|
[ZN]B:1551 |
1 |
1 |
98 |
f |
[3YP]B:1552 |
x,y,z |
1_555 |
3 |
1 |
316 |
29.2 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
29.5 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.085 |
18 |
31 |
|
[3YP]D:1752 |
2 |
1 |
323 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13487 |
27.4 |
-0.9 |
0.254 |
0 |
0 |
0 |
0.003 |
19 |
32 |
|
[K]D:1750 |
1 |
1 |
216 |
f |
[3YP]D:1752 |
x,y,z |
1_555 |
1 |
1 |
323 |
5.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.015 |
33 |
|
[K]A:1450 |
1 |
1 |
216 |
f |
[3YP]A:1452 |
x,y,z |
1_555 |
1 |
1 |
328 |
3.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.015 |
34 |
|
[K]B:1550 |
1 |
1 |
216 |
f |
[3YP]B:1552 |
x,y,z |
1_555 |
1 |
1 |
316 |
0.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
3.2 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.015 |
20 |
35 |
|
[K]C:1650 |
1 |
1 |
216 |
f |
[ZN]C:1651 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
21 |
36 |
|
[K]B:1550 |
1 |
1 |
216 |
f |
[ZN]B:1551 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
22 |
37 |
|
[K]A:1450 |
1 |
1 |
216 |
f |
[ZN]A:1451 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
|