## |
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 |
|
J |
90 |
22 |
4609 |
◊ |
I |
x,y,z |
1_555 |
90 |
22 |
4627 |
884.4 |
-5.9 |
0.465 |
13 |
4 |
0 |
1.000 |
2 |
|
H |
92 |
22 |
4566 |
◊ |
G |
x,y,z |
1_555 |
91 |
22 |
4672 |
883.2 |
-5.8 |
0.461 |
15 |
5 |
0 |
1.000 |
3 |
|
L |
92 |
22 |
4452 |
◊ |
K |
x,y,z |
1_555 |
94 |
22 |
4686 |
879.4 |
-6.1 |
0.463 |
13 |
4 |
0 |
1.000 |
4 |
|
R |
89 |
22 |
4480 |
◊ |
Q |
x,y,z |
1_555 |
91 |
23 |
4852 |
878.9 |
-6.2 |
0.384 |
16 |
4 |
0 |
1.000 |
5 |
|
D |
92 |
22 |
4541 |
◊ |
C |
x,y,z |
1_555 |
89 |
22 |
4595 |
878.8 |
-6.8 |
0.440 |
13 |
4 |
0 |
1.000 |
6 |
|
P |
89 |
22 |
4840 |
◊ |
O |
x,y,z |
1_555 |
87 |
22 |
4442 |
865.1 |
-6.6 |
0.391 |
14 |
4 |
0 |
1.000 |
7 |
|
B |
89 |
22 |
4446 |
◊ |
A |
x,y,z |
1_555 |
87 |
21 |
4612 |
850.5 |
-7.8 |
0.360 |
12 |
4 |
0 |
1.000 |
8 |
|
N |
91 |
22 |
4752 |
◊ |
M |
x,y,z |
1_555 |
88 |
21 |
4640 |
845.9 |
-6.6 |
0.341 |
14 |
4 |
0 |
1.000 |
9 |
|
F |
86 |
21 |
4409 |
◊ |
E |
x,y,z |
1_555 |
84 |
20 |
4627 |
791.9 |
-11.1 |
0.206 |
10 |
2 |
0 |
1.000 |
Average: |
862.0 |
-7.0 |
0.390 |
13 |
4 |
0 |
1.000 |
2 |
10 |
|
J |
64 |
17 |
4609 |
◊ |
H |
x,y,z |
1_555 |
58 |
14 |
4566 |
557.8 |
-4.8 |
0.410 |
4 |
3 |
0 |
1.000 |
11 |
|
F |
70 |
17 |
4409 |
◊ |
D |
x,y,z |
1_555 |
57 |
14 |
4541 |
553.7 |
-5.5 |
0.388 |
7 |
3 |
0 |
1.000 |
12 |
|
F |
55 |
13 |
4409 |
◊ |
B |
x,y,z |
1_555 |
69 |
17 |
4446 |
553.7 |
-5.0 |
0.415 |
9 |
4 |
0 |
1.000 |
13 |
|
P |
70 |
17 |
4840 |
◊ |
N |
x,y,z |
1_555 |
55 |
14 |
4752 |
545.9 |
-5.6 |
0.269 |
4 |
3 |
0 |
1.000 |
14 |
|
D |
68 |
17 |
4541 |
◊ |
B |
x,y,z |
1_555 |
53 |
13 |
4446 |
545.5 |
-6.1 |
0.343 |
5 |
1 |
0 |
1.000 |
15 |
|
R |
66 |
17 |
4480 |
◊ |
P |
x,y,z |
1_555 |
55 |
14 |
4840 |
540.5 |
-3.9 |
0.395 |
6 |
2 |
0 |
1.000 |
16 |
|
C |
53 |
14 |
4595 |
◊ |
A |
x,y,z |
1_555 |
61 |
16 |
4612 |
539.1 |
-4.3 |
0.401 |
7 |
3 |
0 |
1.000 |
17 |
|
Q |
67 |
17 |
4852 |
◊ |
M |
x,y,z |
1_555 |
51 |
14 |
4640 |
537.8 |
-5.2 |
0.272 |
5 |
3 |
0 |
1.000 |
18 |
|
E |
67 |
17 |
4627 |
◊ |
A |
x,y,z |
1_555 |
53 |
14 |
4612 |
534.8 |
-4.7 |
0.375 |
5 |
2 |
0 |
1.000 |
19 |
|
K |
55 |
14 |
4686 |
◊ |
I |
x,y,z |
1_555 |
62 |
17 |
4627 |
533.1 |
-5.7 |
0.293 |
5 |
3 |
0 |
1.000 |
20 |
|
K |
62 |
17 |
4686 |
◊ |
G |
x,y,z |
1_555 |
54 |
14 |
4672 |
530.3 |
-4.2 |
0.389 |
5 |
3 |
0 |
1.000 |
21 |
|
O |
53 |
13 |
4442 |
◊ |
M |
x,y,z |
1_555 |
67 |
17 |
4640 |
528.7 |
-6.7 |
0.258 |
4 |
1 |
0 |
1.000 |
22 |
|
E |
51 |
14 |
4627 |
◊ |
C |
x,y,z |
1_555 |
65 |
17 |
4595 |
527.4 |
-4.9 |
0.353 |
6 |
2 |
0 |
1.000 |
23 |
|
I |
54 |
14 |
4627 |
◊ |
G |
x,y,z |
1_555 |
64 |
17 |
4672 |
525.1 |
-5.8 |
0.286 |
5 |
2 |
0 |
1.000 |
24 |
|
Q |
54 |
14 |
4852 |
◊ |
O |
x,y,z |
1_555 |
65 |
17 |
4442 |
524.9 |
-4.0 |
0.390 |
5 |
2 |
0 |
1.000 |
25 |
|
L |
65 |
17 |
4452 |
◊ |
J |
x,y,z |
1_555 |
53 |
13 |
4609 |
524.6 |
-6.1 |
0.292 |
5 |
1 |
0 |
1.000 |
26 |
|
L |
49 |
12 |
4452 |
◊ |
H |
x,y,z |
1_555 |
69 |
17 |
4566 |
517.9 |
-5.8 |
0.290 |
5 |
1 |
0 |
1.000 |
27 |
|
R |
49 |
12 |
4480 |
◊ |
N |
x,y,z |
1_555 |
65 |
17 |
4752 |
513.2 |
-5.7 |
0.271 |
5 |
1 |
0 |
1.000 |
Average: |
535.2 |
-5.2 |
0.338 |
5 |
2 |
0 |
1.000 |
3 |
28 |
|
D |
32 |
8 |
4541 |
◊ |
Q |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
5 |
4852 |
227.2 |
-0.6 |
0.600 |
3 |
3 |
0 |
0.004 |
29 |
|
P |
25 |
5 |
4840 |
◊ |
H |
x,y,z |
1_555 |
32 |
8 |
4566 |
223.8 |
-0.6 |
0.604 |
4 |
2 |
0 |
0.004 |
Average: |
225.5 |
-0.6 |
0.602 |
4 |
3 |
0 |
0.004 |
4 |
30 |
|
A |
25 |
5 |
4612 |
◊ |
N |
-x,y-1/2,-z-1/2 |
3_544 |
24 |
5 |
4752 |
224.9 |
2.1 |
0.800 |
3 |
4 |
0 |
0.000 |
5 |
31 |
|
L |
16 |
5 |
4452 |
◊ |
I |
x,y,z |
1_555 |
19 |
6 |
4627 |
203.1 |
-1.6 |
0.436 |
0 |
0 |
0 |
0.071 |
32 |
|
D |
18 |
5 |
4541 |
◊ |
A |
x,y,z |
1_555 |
15 |
5 |
4612 |
192.6 |
-1.8 |
0.405 |
0 |
0 |
0 |
0.071 |
33 |
|
E |
18 |
5 |
4627 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
4446 |
183.2 |
-2.2 |
0.364 |
0 |
0 |
0 |
0.071 |
34 |
|
P |
17 |
5 |
4840 |
◊ |
M |
x,y,z |
1_555 |
15 |
4 |
4640 |
182.6 |
-0.9 |
0.501 |
0 |
0 |
0 |
0.071 |
35 |
|
K |
17 |
5 |
4686 |
◊ |
H |
x,y,z |
1_555 |
16 |
5 |
4566 |
169.2 |
-2.2 |
0.345 |
0 |
0 |
0 |
0.071 |
36 |
|
J |
15 |
5 |
4609 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
4672 |
166.3 |
-2.7 |
0.236 |
0 |
0 |
0 |
0.071 |
37 |
|
R |
12 |
3 |
4480 |
◊ |
O |
x,y,z |
1_555 |
14 |
4 |
4442 |
162.6 |
-2.7 |
0.244 |
0 |
0 |
0 |
0.071 |
38 |
|
F |
12 |
3 |
4409 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
4595 |
158.9 |
-2.8 |
0.221 |
0 |
0 |
0 |
0.071 |
39 |
|
Q |
14 |
4 |
4852 |
◊ |
N |
x,y,z |
1_555 |
12 |
4 |
4752 |
147.0 |
-1.7 |
0.338 |
0 |
0 |
0 |
0.071 |
Average: |
173.9 |
-2.1 |
0.343 |
0 |
0 |
0 |
0.071 |
6 |
40 |
|
N |
22 |
7 |
4752 |
◊ |
F |
x,y,z |
1_555 |
20 |
7 |
4409 |
182.0 |
0.7 |
0.723 |
5 |
4 |
0 |
0.000 |
41 |
|
R |
19 |
6 |
4480 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
4446 |
178.1 |
0.5 |
0.719 |
5 |
4 |
0 |
0.000 |
42 |
|
P |
19 |
8 |
4840 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
4541 |
169.5 |
0.0 |
0.653 |
2 |
0 |
0 |
0.000 |
43 |
|
H |
21 |
7 |
4566 |
◊ |
Q |
-x-1/2,-y,z-1/2 |
2_454 |
19 |
8 |
4852 |
168.2 |
-0.1 |
0.621 |
2 |
0 |
0 |
0.000 |
44 |
|
L |
19 |
8 |
4452 |
◊ |
O |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
6 |
4442 |
156.8 |
-0.4 |
0.638 |
2 |
0 |
0 |
0.000 |
45 |
|
J |
18 |
7 |
4609 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
5 |
4640 |
147.5 |
-0.6 |
0.575 |
2 |
0 |
0 |
0.000 |
Average: |
167.0 |
0.0 |
0.655 |
3 |
1 |
0 |
0.000 |
7 |
46 |
|
K |
17 |
5 |
4686 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
25 |
7 |
4627 |
159.2 |
2.8 |
0.868 |
3 |
1 |
0 |
0.000 |
8 |
47 |
|
L |
11 |
4 |
4452 |
◊ |
G |
-x-1,y-1/2,-z-1/2 |
3_444 |
20 |
7 |
4672 |
132.3 |
-2.6 |
0.215 |
1 |
0 |
0 |
0.000 |
9 |
48 |
|
B |
10 |
3 |
4446 |
◊ |
N |
-x,y-1/2,-z-1/2 |
3_544 |
17 |
7 |
4752 |
112.8 |
0.2 |
0.644 |
0 |
0 |
0 |
0.000 |
10 |
49 |
|
J |
12 |
4 |
4609 |
◊ |
G |
-x-1,y-1/2,-z-1/2 |
3_444 |
14 |
5 |
4672 |
105.5 |
-1.3 |
0.420 |
0 |
0 |
0 |
0.000 |
11 |
50 |
|
H |
11 |
4 |
4566 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
4541 |
104.9 |
0.8 |
0.761 |
0 |
0 |
0 |
0.000 |
12 |
51 |
|
C |
12 |
5 |
4595 |
◊ |
M |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
3 |
4640 |
96.0 |
-0.4 |
0.549 |
2 |
0 |
0 |
0.000 |
13 |
52 |
|
A |
8 |
3 |
4612 |
◊ |
M |
-x,y-1/2,-z-1/2 |
3_544 |
10 |
3 |
4640 |
90.3 |
-0.2 |
0.366 |
0 |
0 |
0 |
0.000 |
14 |
53 |
|
[GOL]P:102 |
5 |
1 |
223 |
◊ |
P |
x,y,z |
1_555 |
12 |
7 |
4840 |
82.4 |
1.1 |
0.713 |
5 |
0 |
0 |
0.000 |
15 |
54 |
|
[GOL]P:102 |
5 |
1 |
223 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
4541 |
79.0 |
0.3 |
0.610 |
5 |
0 |
0 |
0.129 |
16 |
55 |
|
E |
8 |
3 |
4627 |
◊ |
I |
-x-1/2,-y,z-1/2 |
2_454 |
8 |
3 |
4627 |
71.5 |
0.4 |
0.714 |
2 |
0 |
0 |
0.000 |
17 |
56 |
|
L |
11 |
3 |
4452 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
4446 |
68.3 |
-0.3 |
0.584 |
0 |
0 |
0 |
0.000 |
18 |
57 |
|
Q |
9 |
2 |
4852 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
2 |
4409 |
67.2 |
-1.1 |
0.346 |
0 |
0 |
0 |
0.000 |
19 |
58 |
|
G |
9 |
4 |
4672 |
◊ |
E |
-x,y-1/2,-z-1/2 |
3_544 |
8 |
2 |
4627 |
61.4 |
0.9 |
0.769 |
2 |
0 |
0 |
0.000 |
20 |
59 |
|
J |
3 |
1 |
4609 |
◊ |
I |
-x-1,y-1/2,-z-1/2 |
3_444 |
7 |
3 |
4627 |
59.1 |
0.4 |
0.736 |
1 |
1 |
0 |
0.000 |
21 |
60 |
|
[PO4]P:101 |
4 |
1 |
188 |
f |
N |
x,y,z |
1_555 |
8 |
3 |
4752 |
53.3 |
-2.6 |
0.838 |
2 |
0 |
0 |
0.175 |
22 |
61 |
|
H |
5 |
3 |
4566 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
4446 |
52.9 |
-0.3 |
0.544 |
0 |
0 |
0 |
0.000 |
62 |
|
L |
2 |
1 |
4452 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
4541 |
25.1 |
-0.7 |
0.179 |
0 |
0 |
0 |
0.000 |
Average: |
39.0 |
-0.5 |
0.362 |
0 |
0 |
0 |
0.000 |
23 |
63 |
|
A |
8 |
4 |
4612 |
◊ |
P |
-x,y-1/2,-z-1/2 |
3_544 |
5 |
2 |
4840 |
50.5 |
-1.2 |
0.323 |
1 |
0 |
0 |
0.000 |
24 |
64 |
|
R |
8 |
4 |
4480 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
9 |
4 |
4409 |
46.1 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
25 |
65 |
|
[PO4]P:101 |
5 |
1 |
188 |
◊ |
M |
x,y,z |
1_555 |
8 |
3 |
4640 |
45.5 |
-2.3 |
0.765 |
2 |
0 |
0 |
0.158 |
26 |
66 |
|
A |
5 |
2 |
4612 |
◊ |
[PO4]P:101 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
188 |
43.8 |
-1.4 |
0.919 |
2 |
0 |
0 |
0.000 |
27 |
67 |
|
O |
12 |
4 |
4442 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
4640 |
42.5 |
0.8 |
0.757 |
0 |
0 |
0 |
0.000 |
28 |
68 |
|
B |
9 |
2 |
4446 |
◊ |
P |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
2 |
4840 |
41.4 |
-0.9 |
0.174 |
0 |
0 |
0 |
0.000 |
29 |
69 |
|
C |
7 |
4 |
4595 |
◊ |
G |
-x-1/2,-y,z-1/2 |
2_454 |
7 |
4 |
4672 |
40.4 |
0.7 |
0.767 |
0 |
0 |
0 |
0.000 |
30 |
70 |
|
[PO4]P:101 |
4 |
1 |
188 |
◊ |
P |
x,y,z |
1_555 |
4 |
1 |
4840 |
40.2 |
-1.1 |
0.935 |
2 |
0 |
0 |
0.069 |
31 |
71 |
|
O |
5 |
3 |
4442 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
4566 |
34.7 |
-0.5 |
0.481 |
0 |
0 |
0 |
0.000 |
72 |
|
D |
6 |
2 |
4541 |
◊ |
R |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
3 |
4480 |
33.9 |
-0.5 |
0.430 |
0 |
0 |
0 |
0.000 |
Average: |
34.3 |
-0.5 |
0.455 |
0 |
0 |
0 |
0.000 |
32 |
73 |
|
P |
3 |
1 |
4840 |
◊ |
N |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
4752 |
26.9 |
-0.7 |
0.296 |
0 |
0 |
0 |
0.000 |
33 |
74 |
|
[GOL]P:102 |
2 |
1 |
223 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
4752 |
19.3 |
0.3 |
0.723 |
0 |
0 |
0 |
0.000 |
34 |
75 |
|
A |
3 |
1 |
4612 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
2 |
1 |
4541 |
19.2 |
-0.1 |
0.446 |
0 |
0 |
0 |
0.000 |
35 |
76 |
|
P |
3 |
1 |
4840 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
4640 |
14.9 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
36 |
77 |
|
N |
2 |
2 |
4752 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
4541 |
12.2 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
78 |
|
P |
2 |
2 |
4840 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
4446 |
11.5 |
0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
79 |
|
R |
2 |
2 |
4480 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
4409 |
7.2 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
80 |
|
J |
2 |
2 |
4609 |
◊ |
O |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
4442 |
6.7 |
-0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
81 |
|
L |
2 |
2 |
4452 |
◊ |
Q |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
4852 |
5.0 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
82 |
|
H |
2 |
2 |
4566 |
◊ |
M |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
2 |
4640 |
4.4 |
-0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
Average: |
7.8 |
-0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
37 |
83 |
|
G |
3 |
1 |
4672 |
◊ |
F |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
4409 |
11.7 |
0.3 |
0.720 |
0 |
0 |
0 |
0.000 |
38 |
84 |
|
K |
2 |
1 |
4686 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
4595 |
9.7 |
-0.0 |
0.438 |
0 |
0 |
0 |
0.000 |
39 |
85 |
|
E |
3 |
2 |
4627 |
◊ |
K |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
4686 |
9.2 |
0.1 |
0.668 |
0 |
0 |
0 |
0.000 |
86 |
|
A |
1 |
1 |
4612 |
◊ |
I |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
4627 |
4.2 |
0.1 |
0.686 |
0 |
0 |
0 |
0.000 |
Average: |
6.7 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
40 |
87 |
|
L |
1 |
1 |
4452 |
◊ |
M |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
4640 |
7.4 |
0.4 |
0.833 |
0 |
0 |
0 |
0.000 |
41 |
88 |
|
I |
1 |
1 |
4627 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
1 |
1 |
4595 |
3.1 |
0.1 |
0.749 |
0 |
0 |
0 |
0.000 |
42 |
89 |
|
[GOL]P:102 |
1 |
1 |
223 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4446 |
0.8 |
0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
43 |
90 |
|
B |
1 |
1 |
4446 |
◊ |
N |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
4752 |
0.6 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
|