| ## |
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 |
|
L |
182 |
50 |
8280 |
◊ |
G |
x,y,z |
1_555 |
177 |
50 |
8310 |
1805.4 |
-30.3 |
0.020 |
16 |
2 |
0 |
0.654 |
2 |
|
D |
174 |
48 |
8511 |
◊ |
C |
x,y,z |
1_555 |
184 |
52 |
8222 |
1787.8 |
-31.6 |
0.014 |
14 |
0 |
0 |
0.654 |
3 |
|
E |
176 |
52 |
8123 |
◊ |
B |
x,y,z |
1_555 |
178 |
51 |
8377 |
1785.8 |
-29.5 |
0.019 |
17 |
2 |
0 |
0.654 |
4 |
|
F |
177 |
51 |
8207 |
◊ |
A |
x,y,z |
1_555 |
183 |
53 |
8347 |
1763.4 |
-32.5 |
0.011 |
14 |
1 |
0 |
0.654 |
5 |
|
K |
177 |
50 |
8306 |
◊ |
H |
x,y,z |
1_555 |
175 |
49 |
8351 |
1758.8 |
-31.0 |
0.015 |
16 |
1 |
0 |
0.654 |
6 |
|
J |
173 |
49 |
8559 |
◊ |
I |
x,y,z |
1_555 |
171 |
48 |
8330 |
1737.3 |
-28.2 |
0.017 |
14 |
0 |
0 |
0.654 |
| Average: |
1773.1 |
-30.5 |
0.016 |
15 |
1 |
0 |
0.654 |
| 2 |
7 |
|
C |
85 |
23 |
8222 |
◊ |
B |
x,y,z |
1_555 |
85 |
24 |
8377 |
813.3 |
-3.6 |
0.643 |
15 |
8 |
0 |
0.629 |
8 |
|
J |
81 |
22 |
8559 |
◊ |
G |
x,y,z |
1_555 |
85 |
24 |
8310 |
805.3 |
-4.3 |
0.532 |
13 |
7 |
0 |
0.629 |
9 |
|
K |
81 |
22 |
8306 |
◊ |
J |
x,y,z |
1_555 |
85 |
23 |
8559 |
800.9 |
-3.4 |
0.608 |
14 |
8 |
0 |
0.629 |
10 |
|
K |
74 |
23 |
8306 |
◊ |
G |
x,y,z |
1_555 |
80 |
23 |
8310 |
776.4 |
-3.9 |
0.577 |
13 |
6 |
0 |
0.629 |
11 |
|
F |
83 |
23 |
8207 |
◊ |
B |
x,y,z |
1_555 |
78 |
22 |
8377 |
775.5 |
-5.4 |
0.479 |
12 |
7 |
0 |
0.629 |
12 |
|
E |
75 |
20 |
8123 |
◊ |
A |
x,y,z |
1_555 |
76 |
22 |
8347 |
773.7 |
-5.9 |
0.476 |
10 |
8 |
0 |
0.629 |
13 |
|
L |
78 |
23 |
8280 |
◊ |
I |
x,y,z |
1_555 |
78 |
22 |
8330 |
767.3 |
-4.8 |
0.506 |
14 |
6 |
0 |
0.629 |
14 |
|
D |
74 |
21 |
8511 |
◊ |
A |
x,y,z |
1_555 |
83 |
24 |
8347 |
765.8 |
-3.1 |
0.633 |
13 |
7 |
0 |
0.629 |
15 |
|
F |
77 |
21 |
8207 |
◊ |
C |
x,y,z |
1_555 |
77 |
23 |
8222 |
765.0 |
-4.8 |
0.529 |
15 |
5 |
0 |
0.629 |
16 |
|
L |
72 |
21 |
8280 |
◊ |
H |
x,y,z |
1_555 |
74 |
22 |
8351 |
752.5 |
-6.3 |
0.427 |
13 |
6 |
0 |
0.629 |
17 |
|
E |
73 |
21 |
8123 |
◊ |
D |
x,y,z |
1_555 |
77 |
21 |
8511 |
701.7 |
-5.5 |
0.438 |
10 |
2 |
0 |
0.629 |
18 |
|
I |
74 |
21 |
8330 |
◊ |
H |
x,y,z |
1_555 |
66 |
20 |
8351 |
693.2 |
-5.2 |
0.452 |
12 |
3 |
0 |
0.629 |
| Average: |
765.9 |
-4.7 |
0.525 |
13 |
6 |
0 |
0.629 |
| 3 |
19 |
|
J |
87 |
24 |
8559 |
◊ |
H |
x-1,y,z |
1_455 |
82 |
23 |
8351 |
811.1 |
8.4 |
0.975 |
12 |
13 |
0 |
0.000 |
20 |
|
D |
79 |
22 |
8511 |
◊ |
B |
x-1,y,z |
1_455 |
78 |
22 |
8377 |
768.9 |
7.1 |
0.956 |
10 |
17 |
0 |
0.000 |
| Average: |
790.0 |
7.7 |
0.965 |
11 |
15 |
0 |
0.000 |
| 4 |
21 |
|
F |
75 |
20 |
8207 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
71 |
22 |
8222 |
658.9 |
2.0 |
0.856 |
8 |
8 |
0 |
0.000 |
| 5 |
22 |
|
G |
64 |
19 |
8310 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
72 |
21 |
8123 |
582.7 |
2.9 |
0.889 |
10 |
11 |
0 |
0.000 |
23 |
|
L |
59 |
19 |
8280 |
◊ |
I |
-x+1,y-1/2,-z+2 |
2_647 |
57 |
18 |
8330 |
495.2 |
2.4 |
0.876 |
6 |
4 |
0 |
0.000 |
| Average: |
539.0 |
2.6 |
0.883 |
8 |
8 |
0 |
0.000 |
| 6 |
24 |
|
H |
28 |
9 |
8351 |
◊ |
E |
x,y,z |
1_555 |
34 |
9 |
8123 |
273.6 |
-5.3 |
0.192 |
1 |
0 |
0 |
0.087 |
25 |
|
I |
42 |
10 |
8330 |
◊ |
D |
x,y,z |
1_555 |
32 |
10 |
8511 |
273.0 |
-5.1 |
0.258 |
1 |
0 |
0 |
0.087 |
26 |
|
F |
33 |
10 |
8207 |
◊ |
G |
x,y,z-1 |
1_554 |
27 |
8 |
8310 |
225.1 |
-4.2 |
0.288 |
1 |
0 |
0 |
0.087 |
| Average: |
257.2 |
-4.9 |
0.246 |
1 |
0 |
0 |
0.087 |
| 7 |
27 |
|
C |
19 |
6 |
8222 |
◊ |
J |
x,y,z-1 |
1_554 |
18 |
6 |
8559 |
175.6 |
-3.6 |
0.224 |
0 |
0 |
0 |
0.029 |
| 8 |
28 |
|
L |
13 |
5 |
8280 |
◊ |
J |
x,y,z |
1_555 |
15 |
6 |
8559 |
169.5 |
-4.1 |
0.053 |
0 |
0 |
0 |
0.053 |
29 |
|
B |
15 |
6 |
8377 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
8347 |
158.7 |
-3.9 |
0.082 |
0 |
0 |
0 |
0.053 |
30 |
|
K |
16 |
6 |
8306 |
◊ |
I |
x,y,z |
1_555 |
15 |
6 |
8330 |
155.2 |
-4.5 |
0.052 |
0 |
0 |
0 |
0.053 |
31 |
|
E |
16 |
6 |
8123 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
8222 |
153.9 |
-4.6 |
0.041 |
0 |
0 |
0 |
0.053 |
32 |
|
F |
14 |
6 |
8207 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
8511 |
150.9 |
-4.8 |
0.015 |
0 |
0 |
0 |
0.053 |
33 |
|
H |
13 |
5 |
8351 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
8310 |
146.8 |
-4.6 |
0.021 |
0 |
0 |
0 |
0.053 |
| Average: |
155.8 |
-4.4 |
0.044 |
0 |
0 |
0 |
0.053 |
| 9 |
34 |
|
F |
22 |
5 |
8207 |
◊ |
K |
x,y,z-1 |
1_554 |
20 |
6 |
8306 |
164.2 |
-1.9 |
0.453 |
0 |
1 |
0 |
0.019 |
35 |
|
L |
16 |
4 |
8280 |
◊ |
E |
x,y,z |
1_555 |
18 |
5 |
8123 |
144.8 |
-2.5 |
0.332 |
0 |
0 |
0 |
0.019 |
| Average: |
154.5 |
-2.2 |
0.392 |
0 |
1 |
0 |
0.019 |
| 10 |
36 |
|
I |
17 |
5 |
8330 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
8347 |
138.2 |
-2.0 |
0.381 |
0 |
0 |
0 |
0.016 |
| 11 |
37 |
|
A |
15 |
5 |
8347 |
◊ |
K |
-x+2,y-1/2,-z+2 |
2_747 |
21 |
6 |
8306 |
138.2 |
1.0 |
0.813 |
0 |
2 |
0 |
0.000 |
| 12 |
38 |
|
B |
13 |
5 |
8377 |
◊ |
K |
x,y,z-1 |
1_554 |
11 |
4 |
8306 |
123.9 |
-2.2 |
0.243 |
0 |
0 |
0 |
0.017 |
| 13 |
39 |
|
L |
9 |
5 |
8280 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
8347 |
116.3 |
-3.0 |
0.122 |
0 |
0 |
0 |
0.023 |
| 14 |
40 |
|
H |
14 |
4 |
8351 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
8511 |
112.3 |
-0.6 |
0.591 |
0 |
0 |
0 |
0.007 |
41 |
|
C |
8 |
2 |
8222 |
◊ |
G |
x,y,z-1 |
1_554 |
11 |
3 |
8310 |
76.0 |
-0.9 |
0.506 |
0 |
0 |
0 |
0.007 |
| Average: |
94.2 |
-0.7 |
0.549 |
0 |
0 |
0 |
0.007 |
| 15 |
42 |
|
[PO4]C:2203 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
8222 |
106.4 |
-6.1 |
0.720 |
2 |
0 |
0 |
0.254 |
43 |
|
[PO4]H:2208 |
5 |
1 |
187 |
f |
H |
x,y,z |
1_555 |
22 |
9 |
8351 |
106.2 |
-6.2 |
0.708 |
3 |
0 |
0 |
0.254 |
44 |
|
[PO4]C:2204 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
8511 |
105.1 |
-5.7 |
0.726 |
3 |
0 |
0 |
0.254 |
45 |
|
[PO4]A:2206 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
20 |
9 |
8207 |
104.0 |
-7.0 |
0.542 |
2 |
0 |
0 |
0.254 |
46 |
|
[PO4]J:2209 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
23 |
10 |
8330 |
103.3 |
-5.7 |
0.728 |
2 |
0 |
0 |
0.254 |
| Average: |
105.0 |
-6.1 |
0.685 |
2 |
0 |
0 |
0.254 |
| 16 |
47 |
|
[PO4]G:2212 |
5 |
1 |
188 |
f |
L |
x,y,z |
1_555 |
23 |
11 |
8280 |
106.2 |
-5.7 |
0.737 |
3 |
0 |
0 |
0.140 |
48 |
|
[PO4]K:2211 |
5 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
22 |
10 |
8306 |
105.8 |
-6.3 |
0.697 |
3 |
0 |
0 |
0.140 |
| Average: |
106.0 |
-6.0 |
0.717 |
3 |
0 |
0 |
0.140 |
| 17 |
49 |
|
[PO4]G:2207 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
22 |
11 |
8310 |
106.0 |
-6.1 |
0.696 |
3 |
0 |
0 |
0.137 |
| 18 |
50 |
|
[PO4]I:2210 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
21 |
10 |
8559 |
105.4 |
-5.7 |
0.731 |
2 |
0 |
0 |
0.122 |
| 19 |
51 |
|
[PO4]E:2205 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
23 |
9 |
8123 |
101.5 |
-6.6 |
0.632 |
2 |
0 |
0 |
0.140 |
| 20 |
52 |
|
[PO4]E:2202 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
8377 |
100.8 |
-6.9 |
0.525 |
3 |
0 |
0 |
0.141 |
| 21 |
53 |
|
[PO4]A:2201 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
8347 |
99.1 |
-5.7 |
0.746 |
3 |
0 |
0 |
0.133 |
| 22 |
54 |
|
L |
7 |
3 |
8280 |
◊ |
D |
-x+1,y-1/2,-z+2 |
2_647 |
10 |
2 |
8511 |
70.9 |
-0.4 |
0.584 |
0 |
1 |
0 |
0.000 |
55 |
|
J |
1 |
1 |
8559 |
◊ |
E |
x-1,y,z |
1_455 |
2 |
1 |
8123 |
5.0 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
| Average: |
37.9 |
-0.2 |
0.614 |
0 |
1 |
0 |
0.000 |
| 23 |
56 |
|
A |
7 |
2 |
8347 |
◊ |
B |
-x+2,y-1/2,-z+1 |
2_746 |
7 |
3 |
8377 |
62.9 |
-0.2 |
0.625 |
0 |
0 |
0 |
0.000 |
| 24 |
57 |
|
G |
7 |
3 |
8310 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
6 |
2 |
8222 |
62.1 |
-0.6 |
0.518 |
0 |
0 |
0 |
0.000 |
58 |
|
L |
6 |
3 |
8280 |
◊ |
K |
-x+2,y-1/2,-z+2 |
2_747 |
7 |
2 |
8306 |
58.3 |
-0.4 |
0.557 |
0 |
0 |
0 |
0.000 |
| Average: |
60.2 |
-0.5 |
0.537 |
0 |
0 |
0 |
0.000 |
| 25 |
59 |
|
G |
7 |
3 |
8310 |
◊ |
H |
-x+2,y-1/2,-z+2 |
2_747 |
8 |
2 |
8351 |
61.5 |
-0.7 |
0.516 |
0 |
0 |
0 |
0.000 |
| 26 |
60 |
|
[PO4]E:2202 |
4 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
8123 |
56.0 |
-2.2 |
0.927 |
2 |
0 |
0 |
0.052 |
| 27 |
61 |
|
[PO4]E:2205 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
8377 |
55.0 |
-2.3 |
0.921 |
3 |
0 |
0 |
0.120 |
62 |
|
[PO4]A:2206 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
8347 |
54.1 |
-2.5 |
0.911 |
3 |
0 |
0 |
0.120 |
63 |
|
[PO4]H:2208 |
4 |
1 |
187 |
◊ |
K |
x,y,z |
1_555 |
8 |
3 |
8306 |
53.7 |
-1.7 |
0.951 |
3 |
0 |
0 |
0.120 |
64 |
|
[PO4]J:2209 |
4 |
1 |
187 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
8559 |
53.6 |
-2.5 |
0.889 |
3 |
0 |
0 |
0.120 |
65 |
|
[PO4]C:2204 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
8222 |
53.3 |
-2.5 |
0.897 |
2 |
0 |
0 |
0.120 |
66 |
|
[PO4]C:2203 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
8511 |
51.9 |
-2.4 |
0.879 |
3 |
0 |
0 |
0.120 |
| Average: |
53.6 |
-2.3 |
0.908 |
3 |
0 |
0 |
0.120 |
| 28 |
67 |
|
[PO4]A:2201 |
4 |
1 |
186 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
8207 |
54.8 |
-2.6 |
0.890 |
3 |
0 |
0 |
0.063 |
| 29 |
68 |
|
[PO4]G:2212 |
4 |
1 |
188 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8310 |
53.9 |
-2.1 |
0.924 |
1 |
0 |
0 |
0.046 |
69 |
|
[PO4]K:2211 |
4 |
1 |
187 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
8351 |
52.8 |
-1.9 |
0.936 |
2 |
0 |
0 |
0.046 |
| Average: |
53.4 |
-2.0 |
0.930 |
2 |
0 |
0 |
0.046 |
| 30 |
70 |
|
[PO4]I:2210 |
4 |
1 |
185 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
8330 |
53.7 |
-1.9 |
0.932 |
3 |
0 |
0 |
0.059 |
| 31 |
71 |
|
[PO4]G:2207 |
4 |
1 |
188 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
8280 |
52.5 |
-2.1 |
0.933 |
2 |
0 |
0 |
0.051 |
| 32 |
72 |
|
B |
5 |
2 |
8377 |
◊ |
J |
x,y,z-1 |
1_554 |
5 |
1 |
8559 |
45.2 |
-0.4 |
0.504 |
0 |
0 |
0 |
0.003 |
| 33 |
73 |
|
A |
7 |
3 |
8347 |
◊ |
I |
-x+1,y-1/2,-z+2 |
2_647 |
5 |
3 |
8330 |
40.9 |
0.7 |
0.798 |
0 |
0 |
0 |
0.000 |
| 34 |
74 |
|
A |
5 |
2 |
8347 |
◊ |
E |
-x+2,y-1/2,-z+1 |
2_746 |
5 |
3 |
8123 |
39.9 |
0.3 |
0.717 |
0 |
0 |
0 |
0.000 |
| 35 |
75 |
|
D |
3 |
1 |
8511 |
◊ |
K |
x-1,y,z-1 |
1_454 |
6 |
3 |
8306 |
36.3 |
0.5 |
0.765 |
0 |
0 |
0 |
0.000 |
| 36 |
76 |
|
G |
5 |
3 |
8310 |
◊ |
K |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
3 |
8306 |
36.1 |
0.9 |
0.836 |
0 |
0 |
0 |
0.000 |
77 |
|
L |
3 |
2 |
8280 |
◊ |
C |
-x+1,y-1/2,-z+2 |
2_647 |
4 |
3 |
8222 |
18.1 |
0.7 |
0.834 |
0 |
0 |
0 |
0.000 |
| Average: |
27.1 |
0.8 |
0.835 |
0 |
0 |
0 |
0.000 |
| 37 |
78 |
|
L |
3 |
1 |
8280 |
◊ |
H |
-x+2,y-1/2,-z+2 |
2_747 |
5 |
3 |
8351 |
23.2 |
0.0 |
0.650 |
0 |
0 |
0 |
0.000 |
| 38 |
79 |
|
L |
3 |
1 |
8280 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
8306 |
15.9 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
80 |
|
J |
3 |
1 |
8559 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
8351 |
14.7 |
0.4 |
0.784 |
0 |
0 |
0 |
0.000 |
81 |
|
C |
3 |
1 |
8222 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8347 |
14.1 |
0.4 |
0.779 |
0 |
0 |
0 |
0.000 |
82 |
|
F |
2 |
1 |
8207 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
8123 |
13.0 |
0.4 |
0.787 |
0 |
0 |
0 |
0.000 |
83 |
|
I |
3 |
1 |
8330 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8310 |
10.7 |
0.3 |
0.792 |
0 |
0 |
0 |
0.000 |
| Average: |
13.7 |
0.4 |
0.788 |
0 |
0 |
0 |
0.000 |
| 39 |
84 |
|
J |
2 |
1 |
8559 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
8377 |
14.8 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| 40 |
85 |
|
I |
2 |
1 |
8330 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8123 |
7.5 |
0.5 |
0.841 |
0 |
0 |
0 |
0.000 |
|