## |
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 |
|
V |
127 |
24 |
5549 |
◊ |
T |
x,y,z |
1_555 |
130 |
24 |
5530 |
1157.8 |
-19.7 |
0.662 |
58 |
0 |
0 |
0.759 |
2 |
|
E |
127 |
24 |
5549 |
◊ |
C |
x,y,z |
1_555 |
126 |
24 |
5543 |
1146.2 |
-19.5 |
0.656 |
64 |
0 |
0 |
0.759 |
Average: |
1152.0 |
-19.6 |
0.659 |
61 |
0 |
0 |
0.759 |
2 |
3 |
|
C |
102 |
15 |
5543 |
◊ |
B |
x,y,z |
1_555 |
93 |
27 |
8521 |
908.2 |
-14.0 |
0.568 |
11 |
0 |
0 |
0.602 |
4 |
|
T |
99 |
15 |
5530 |
◊ |
S |
x,y,z |
1_555 |
90 |
26 |
8566 |
893.4 |
-15.5 |
0.475 |
13 |
0 |
0 |
0.602 |
Average: |
900.8 |
-14.7 |
0.522 |
12 |
0 |
0 |
0.602 |
3 |
5 |
|
T |
88 |
10 |
5530 |
◊ |
R |
x,y,z |
1_555 |
111 |
33 |
8685 |
854.8 |
-8.1 |
0.697 |
16 |
0 |
0 |
0.682 |
6 |
|
C |
80 |
9 |
5543 |
◊ |
A |
x,y,z |
1_555 |
115 |
33 |
8401 |
831.8 |
-8.3 |
0.669 |
16 |
0 |
0 |
0.682 |
Average: |
843.3 |
-8.2 |
0.683 |
16 |
0 |
0 |
0.682 |
4 |
7 |
|
V |
103 |
15 |
5549 |
◊ |
R |
x,y,z |
1_555 |
89 |
27 |
8685 |
852.5 |
-8.2 |
0.673 |
11 |
0 |
0 |
0.662 |
8 |
|
E |
96 |
15 |
5549 |
◊ |
A |
x,y,z |
1_555 |
88 |
26 |
8401 |
798.1 |
-7.6 |
0.700 |
13 |
0 |
0 |
0.662 |
Average: |
825.3 |
-7.9 |
0.686 |
12 |
0 |
0 |
0.662 |
5 |
9 |
|
E |
88 |
11 |
5549 |
◊ |
B |
x,y,z |
1_555 |
106 |
31 |
8521 |
851.8 |
-8.0 |
0.607 |
16 |
0 |
0 |
0.471 |
10 |
|
V |
83 |
11 |
5549 |
◊ |
S |
x,y,z |
1_555 |
104 |
31 |
8566 |
844.2 |
-8.0 |
0.598 |
16 |
0 |
0 |
0.471 |
Average: |
848.0 |
-8.0 |
0.602 |
16 |
0 |
0 |
0.471 |
6 |
11 |
|
S |
100 |
25 |
8566 |
◊ |
R |
x,y,z |
1_555 |
98 |
24 |
8685 |
848.4 |
-8.2 |
0.313 |
11 |
10 |
0 |
0.627 |
12 |
|
B |
96 |
24 |
8521 |
◊ |
A |
x,y,z |
1_555 |
98 |
25 |
8401 |
846.7 |
-8.2 |
0.355 |
9 |
9 |
0 |
0.627 |
Average: |
847.6 |
-8.2 |
0.334 |
10 |
10 |
0 |
0.627 |
7 |
13 |
|
S |
15 |
5 |
8566 |
◊ |
C |
x,y,z-1 |
1_554 |
20 |
3 |
5543 |
182.0 |
-2.9 |
0.531 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
E |
18 |
2 |
5549 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
23 |
5 |
8521 |
160.7 |
-1.1 |
0.545 |
0 |
0 |
0 |
0.000 |
15 |
|
V |
17 |
2 |
5549 |
◊ |
S |
-x+1,y-1/2,-z-1 |
2_644 |
25 |
6 |
8566 |
160.0 |
-0.8 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
160.4 |
-0.9 |
0.538 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
A |
26 |
6 |
8401 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
17 |
2 |
5543 |
157.5 |
-1.0 |
0.548 |
0 |
0 |
0 |
0.000 |
17 |
|
R |
22 |
5 |
8685 |
◊ |
T |
-x,y-1/2,-z-1 |
2_544 |
15 |
2 |
5530 |
149.1 |
-0.9 |
0.560 |
0 |
0 |
0 |
0.000 |
Average: |
153.3 |
-0.9 |
0.554 |
0 |
0 |
0 |
0.000 |
10 |
18 |
|
S |
13 |
5 |
8566 |
◊ |
R |
x-1,y,z |
1_455 |
14 |
5 |
8685 |
125.9 |
0.5 |
0.696 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
8 |
4 |
8521 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
8401 |
70.0 |
0.6 |
0.778 |
0 |
0 |
0 |
0.000 |
Average: |
98.0 |
0.6 |
0.737 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
T |
17 |
3 |
5530 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
8521 |
124.8 |
-4.2 |
0.380 |
2 |
0 |
0 |
0.005 |
12 |
21 |
|
T |
14 |
1 |
5530 |
◊ |
S |
-x+1,y-1/2,-z-1 |
2_644 |
15 |
3 |
8566 |
113.3 |
1.2 |
0.605 |
0 |
0 |
0 |
0.000 |
22 |
|
C |
14 |
1 |
5543 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
16 |
3 |
8521 |
106.9 |
1.3 |
0.585 |
0 |
0 |
0 |
0.000 |
Average: |
110.1 |
1.3 |
0.595 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
A |
18 |
3 |
8401 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
14 |
1 |
5549 |
111.7 |
1.1 |
0.578 |
0 |
0 |
0 |
0.000 |
24 |
|
R |
15 |
3 |
8685 |
◊ |
V |
-x,y-1/2,-z-1 |
2_544 |
14 |
1 |
5549 |
104.6 |
1.0 |
0.533 |
0 |
0 |
0 |
0.000 |
Average: |
108.2 |
1.0 |
0.555 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
[PO4]B:174 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8521 |
109.8 |
-8.0 |
0.599 |
0 |
0 |
0 |
0.213 |
15 |
26 |
|
[PO4]C:3 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
8521 |
95.2 |
-5.4 |
0.792 |
2 |
0 |
0 |
0.168 |
16 |
27 |
|
T |
11 |
2 |
5530 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
8401 |
93.1 |
-2.4 |
0.461 |
2 |
0 |
0 |
0.003 |
17 |
28 |
|
[PO4]S:174 |
5 |
1 |
187 |
f |
S |
x,y,z |
1_555 |
20 |
8 |
8566 |
92.8 |
-5.4 |
0.725 |
3 |
0 |
0 |
0.288 |
18 |
29 |
|
[PO4]B:175 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
8521 |
91.5 |
-4.6 |
0.787 |
2 |
0 |
0 |
0.146 |
19 |
30 |
|
V |
12 |
3 |
5549 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
8401 |
81.3 |
-2.4 |
0.455 |
1 |
0 |
0 |
0.003 |
20 |
31 |
|
[PO4]C:3 |
4 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
5543 |
70.8 |
-4.5 |
0.706 |
0 |
0 |
0 |
0.089 |
21 |
32 |
|
S |
3 |
2 |
8566 |
◊ |
V |
-x,y-1/2,-z-1 |
2_544 |
7 |
2 |
5549 |
47.8 |
0.3 |
0.659 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
3 |
2 |
8521 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
5 |
2 |
5549 |
30.1 |
0.4 |
0.692 |
0 |
0 |
0 |
0.000 |
Average: |
38.9 |
0.3 |
0.676 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
R |
4 |
1 |
8685 |
◊ |
E |
x,y,z-1 |
1_554 |
8 |
2 |
5549 |
44.5 |
-1.2 |
0.525 |
1 |
0 |
0 |
0.000 |
23 |
35 |
|
[PO4]S:174 |
4 |
1 |
187 |
◊ |
R |
x,y,z |
1_555 |
6 |
2 |
8685 |
38.5 |
-1.5 |
0.882 |
1 |
0 |
0 |
0.084 |
24 |
36 |
|
[PO4]B:174 |
3 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8401 |
38.4 |
-1.4 |
0.879 |
2 |
0 |
0 |
0.060 |
25 |
37 |
|
R |
3 |
1 |
8685 |
◊ |
S |
-x,y-1/2,-z-1 |
2_544 |
5 |
2 |
8566 |
37.9 |
0.4 |
0.715 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
4 |
1 |
8401 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
2 |
8521 |
33.6 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
4 |
2 |
8401 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
8521 |
27.2 |
-0.2 |
0.539 |
0 |
0 |
0 |
0.000 |
40 |
|
R |
5 |
2 |
8685 |
◊ |
S |
-x+1,y-1/2,-z-1 |
2_644 |
4 |
1 |
8566 |
24.7 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
Average: |
30.9 |
0.0 |
0.616 |
0 |
0 |
0 |
0.000 |
26 |
41 |
|
[PO4]B:175 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8401 |
36.6 |
-1.5 |
0.887 |
1 |
0 |
0 |
0.051 |
27 |
42 |
|
[PO4]S:174 |
4 |
1 |
187 |
◊ |
V |
x,y,z |
1_555 |
7 |
2 |
5549 |
35.0 |
-2.7 |
0.576 |
0 |
0 |
0 |
0.085 |
28 |
43 |
|
[PO4]B:175 |
3 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
5549 |
34.1 |
-2.6 |
0.580 |
0 |
0 |
0 |
0.058 |
29 |
44 |
|
[CA]S:173 |
1 |
1 |
85 |
f |
V |
x,y,z |
1_555 |
4 |
2 |
5549 |
21.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.199 |
45 |
|
[CA]B:173 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
2 |
5549 |
21.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.199 |
Average: |
21.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.199 |
30 |
46 |
|
[CA]S:173 |
1 |
1 |
85 |
◊ |
T |
x,y,z |
1_555 |
3 |
1 |
5530 |
21.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.063 |
47 |
|
[CA]B:173 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
5543 |
20.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
20.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.063 |
31 |
48 |
|
[CA]S:173 |
1 |
1 |
85 |
◊ |
S |
x,y,z |
1_555 |
7 |
3 |
8566 |
20.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.153 |
49 |
|
[CA]B:173 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8521 |
20.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.153 |
50 |
|
[CA]A:175 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
8401 |
20.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.153 |
51 |
|
[CA]R:175 |
1 |
1 |
85 |
◊ |
R |
x,y,z |
1_555 |
7 |
3 |
8685 |
20.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.153 |
Average: |
20.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.153 |
32 |
52 |
|
[CA]A:175 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
5543 |
20.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.168 |
53 |
|
[CA]R:175 |
1 |
1 |
85 |
f |
T |
x,y,z |
1_555 |
5 |
2 |
5530 |
20.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.168 |
Average: |
20.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.168 |
33 |
54 |
|
[CA]R:175 |
1 |
1 |
85 |
◊ |
V |
x,y,z |
1_555 |
3 |
1 |
5549 |
20.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
55 |
|
[CA]A:175 |
1 |
1 |
85 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
5549 |
19.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.061 |
Average: |
20.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.061 |
34 |
56 |
|
[CA]A:175 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8521 |
18.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.145 |
57 |
|
[CA]R:175 |
1 |
1 |
85 |
◊ |
S |
x,y,z |
1_555 |
6 |
3 |
8566 |
18.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.145 |
58 |
|
[CA]S:173 |
1 |
1 |
85 |
◊ |
R |
x,y,z |
1_555 |
4 |
3 |
8685 |
18.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.145 |
59 |
|
[CA]B:173 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
8401 |
18.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
18.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.145 |
35 |
60 |
|
S |
4 |
1 |
8566 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
2 |
8521 |
17.0 |
-0.5 |
0.439 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
R |
3 |
2 |
8685 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
1 |
5543 |
16.9 |
-0.6 |
0.517 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
C |
2 |
1 |
5543 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
8401 |
9.4 |
-0.6 |
0.268 |
0 |
0 |
0 |
0.000 |
63 |
|
T |
1 |
1 |
5530 |
◊ |
R |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
8685 |
3.1 |
-0.2 |
0.288 |
0 |
0 |
0 |
0.000 |
Average: |
6.3 |
-0.4 |
0.278 |
0 |
0 |
0 |
0.000 |
38 |
64 |
|
[PO4]S:174 |
1 |
1 |
187 |
◊ |
[CA]R:175 |
x,y,z |
1_555 |
1 |
1 |
85 |
3.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.021 |
39 |
65 |
|
[PO4]B:175 |
1 |
1 |
187 |
◊ |
[CA]A:175 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.011 |
40 |
66 |
|
[PO4]B:175 |
1 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5543 |
1.3 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
41 |
67 |
|
[PO4]S:174 |
1 |
1 |
187 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
5530 |
0.9 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|