## |
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 |
131 |
35 |
9277 |
◊ |
A |
x,y,z |
1_555 |
123 |
29 |
8699 |
1190.4 |
-15.3 |
0.045 |
12 |
0 |
0 |
0.144 |
2 |
|
C |
127 |
33 |
9005 |
◊ |
B |
x,y,z |
1_555 |
116 |
28 |
8567 |
1146.7 |
-15.7 |
0.029 |
11 |
0 |
0 |
0.144 |
Average: |
1168.5 |
-15.5 |
0.037 |
12 |
0 |
0 |
0.144 |
2 |
3 |
|
C |
124 |
32 |
9005 |
◊ |
D |
x,y,z-1 |
1_554 |
127 |
31 |
9277 |
1150.7 |
-3.8 |
0.489 |
12 |
3 |
0 |
0.000 |
3 |
4 |
|
D |
89 |
22 |
9277 |
◊ |
B |
x,y,z |
1_555 |
89 |
24 |
8567 |
830.8 |
-7.9 |
0.164 |
6 |
1 |
0 |
0.068 |
5 |
|
C |
76 |
20 |
9005 |
◊ |
A |
x,y,z |
1_555 |
76 |
23 |
8699 |
718.3 |
-8.5 |
0.132 |
5 |
1 |
0 |
0.068 |
Average: |
774.6 |
-8.2 |
0.148 |
6 |
1 |
0 |
0.068 |
4 |
6 |
|
B |
52 |
13 |
8567 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
48 |
12 |
8699 |
470.0 |
-0.9 |
0.471 |
6 |
2 |
0 |
0.000 |
5 |
7 |
|
D |
49 |
16 |
9277 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
45 |
14 |
8699 |
453.1 |
-3.3 |
0.319 |
2 |
0 |
0 |
0.033 |
6 |
8 |
|
B |
43 |
13 |
8567 |
◊ |
D |
-x+2,y-1/2,-z+2 |
2_747 |
45 |
10 |
9277 |
439.8 |
-1.7 |
0.384 |
4 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
38 |
10 |
8567 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
39 |
10 |
8699 |
386.2 |
-2.4 |
0.360 |
5 |
3 |
0 |
0.000 |
8 |
10 |
|
D |
11 |
4 |
9277 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
9005 |
125.4 |
1.3 |
0.819 |
0 |
1 |
0 |
0.000 |
9 |
11 |
|
[PO4]B:612 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
8567 |
100.8 |
-6.8 |
0.623 |
4 |
0 |
0 |
0.055 |
10 |
12 |
|
[PO4]B:613 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
8567 |
99.3 |
-7.9 |
0.595 |
4 |
0 |
0 |
0.062 |
11 |
13 |
|
[PT]D:602 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
9277 |
86.3 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.178 |
14 |
|
[PT]C:604 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
9005 |
85.3 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.178 |
Average: |
85.8 |
-22.5 |
0.000 |
0 |
0 |
0 |
0.178 |
12 |
15 |
|
[PO4]B:614 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
8567 |
86.3 |
-4.6 |
0.832 |
0 |
0 |
0 |
0.029 |
13 |
16 |
|
[PT]D:611 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
9277 |
81.6 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.302 |
17 |
|
[PT]C:609 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
9005 |
81.5 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.302 |
18 |
|
[PT]A:606 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8699 |
65.2 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.302 |
Average: |
76.1 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.302 |
14 |
19 |
|
[PT]B:603 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
8567 |
66.9 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.139 |
20 |
|
[PT]A:601 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
8699 |
63.0 |
-17.7 |
0.000 |
0 |
0 |
0 |
0.139 |
Average: |
64.9 |
-17.6 |
0.000 |
0 |
0 |
0 |
0.139 |
15 |
21 |
|
[PT]A:605 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8699 |
64.9 |
-18.8 |
0.000 |
0 |
0 |
0 |
0.148 |
22 |
|
[PT]B:608 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8567 |
53.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.148 |
Average: |
59.4 |
-15.7 |
0.000 |
0 |
0 |
0 |
0.148 |
16 |
23 |
|
[PT]C:610 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9005 |
61.8 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.117 |
24 |
|
[PT]D:607 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
9277 |
53.8 |
-14.9 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
57.8 |
-15.6 |
0.000 |
0 |
0 |
0 |
0.117 |
17 |
25 |
|
B |
5 |
2 |
8567 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
2 |
9005 |
57.3 |
0.9 |
0.739 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
C |
11 |
5 |
9005 |
◊ |
A |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
3 |
8699 |
54.9 |
1.4 |
0.832 |
1 |
2 |
0 |
0.000 |
19 |
27 |
|
B |
5 |
4 |
8567 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
3 |
9005 |
46.1 |
-0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[PT]D:607 |
1 |
1 |
125 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
4 |
8699 |
46.0 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.080 |
21 |
29 |
|
D |
4 |
2 |
9277 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
2 |
8699 |
40.7 |
0.4 |
0.659 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[PT]B:603 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
9005 |
38.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.054 |
31 |
|
[PT]A:601 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
9277 |
38.1 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
38.3 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.054 |
23 |
32 |
|
[PO4]B:614 |
3 |
1 |
187 |
f |
[PT]B:608 |
x,y,z |
1_555 |
1 |
1 |
125 |
37.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.061 |
24 |
33 |
|
B |
5 |
2 |
8567 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
8699 |
33.1 |
0.8 |
0.818 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[PO4]B:613 |
4 |
1 |
186 |
f |
[PO4]B:612 |
x,y,z |
1_555 |
4 |
1 |
186 |
30.2 |
-2.8 |
0.973 |
0 |
0 |
0 |
0.018 |
26 |
35 |
|
C |
3 |
1 |
9005 |
x |
C |
-x+2,y-1/2,-z+1 |
2_746 |
1 |
1 |
9005 |
25.4 |
0.2 |
0.488 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[PO4]B:614 |
4 |
1 |
187 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
1 |
8699 |
25.1 |
-1.3 |
0.783 |
0 |
0 |
0 |
0.000 |
28 |
37 |
|
B |
5 |
1 |
8567 |
◊ |
[PT]A:605 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
125 |
21.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
38 |
|
[PT]C:604 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8567 |
15.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.020 |
39 |
|
[PT]D:602 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
8699 |
13.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.020 |
Average: |
14.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.020 |
30 |
40 |
|
B |
2 |
1 |
8567 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
9005 |
13.4 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
31 |
41 |
|
[PT]B:608 |
1 |
1 |
125 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
1 |
1 |
8699 |
7.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
42 |
|
D |
1 |
1 |
9277 |
◊ |
[PT]A:606 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
125 |
2.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
|