## |
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 |
|
M |
187 |
55 |
15702 |
◊ |
L |
x,y,z |
1_555 |
171 |
42 |
15439 |
1735.8 |
-17.9 |
0.088 |
17 |
7 |
0 |
0.189 |
2 |
|
D |
180 |
53 |
15681 |
◊ |
C |
x,y,z |
1_555 |
165 |
40 |
15352 |
1665.0 |
-17.8 |
0.082 |
16 |
7 |
0 |
0.189 |
3 |
|
F |
187 |
52 |
15613 |
◊ |
E |
x,y,z |
1_555 |
165 |
40 |
15587 |
1653.6 |
-17.7 |
0.073 |
15 |
8 |
0 |
0.189 |
4 |
|
K |
182 |
51 |
15724 |
◊ |
J |
x,y,z |
1_555 |
163 |
38 |
15577 |
1639.5 |
-18.7 |
0.053 |
17 |
7 |
0 |
0.189 |
Average: |
1673.5 |
-18.0 |
0.074 |
16 |
7 |
0 |
0.189 |
2 |
5 |
|
N |
172 |
50 |
15647 |
◊ |
M |
x,y,z |
1_555 |
156 |
39 |
15702 |
1517.1 |
-15.9 |
0.093 |
15 |
6 |
0 |
0.306 |
6 |
|
G |
171 |
47 |
15704 |
◊ |
F |
x,y,z |
1_555 |
155 |
35 |
15613 |
1494.1 |
-16.1 |
0.097 |
11 |
5 |
0 |
0.306 |
7 |
|
B |
167 |
48 |
15618 |
◊ |
A |
x,y,z |
1_555 |
153 |
38 |
15673 |
1479.3 |
-15.6 |
0.113 |
13 |
5 |
0 |
0.306 |
8 |
|
I |
174 |
47 |
15640 |
◊ |
H |
x,y,z |
1_555 |
154 |
37 |
15583 |
1467.6 |
-14.7 |
0.133 |
13 |
5 |
0 |
0.306 |
9 |
|
E |
165 |
47 |
15587 |
◊ |
D |
x,y,z |
1_555 |
152 |
37 |
15681 |
1466.6 |
-15.0 |
0.119 |
12 |
4 |
0 |
0.306 |
10 |
|
C |
157 |
47 |
15352 |
◊ |
B |
x,y,z |
1_555 |
151 |
37 |
15618 |
1427.5 |
-15.7 |
0.113 |
13 |
4 |
0 |
0.306 |
11 |
|
L |
163 |
47 |
15439 |
◊ |
K |
x,y,z |
1_555 |
146 |
36 |
15724 |
1424.3 |
-15.1 |
0.108 |
13 |
6 |
0 |
0.306 |
12 |
|
J |
155 |
46 |
15577 |
◊ |
I |
x,y,z |
1_555 |
148 |
38 |
15640 |
1351.2 |
-13.8 |
0.146 |
11 |
3 |
0 |
0.306 |
Average: |
1453.5 |
-15.2 |
0.115 |
13 |
5 |
0 |
0.306 |
3 |
13 |
|
N |
147 |
36 |
15647 |
◊ |
H |
x,y-1,z |
1_545 |
160 |
46 |
15583 |
1456.5 |
-17.1 |
0.064 |
11 |
2 |
0 |
0.354 |
14 |
|
G |
134 |
33 |
15704 |
◊ |
A |
x,y-1,z |
1_545 |
145 |
41 |
15673 |
1289.7 |
-16.4 |
0.062 |
11 |
3 |
0 |
0.354 |
Average: |
1373.1 |
-16.7 |
0.063 |
11 |
3 |
0 |
0.354 |
4 |
15 |
|
K |
47 |
18 |
15724 |
◊ |
I |
-x+3,y-1/2,-z+3 |
2_848 |
54 |
18 |
15640 |
469.1 |
0.9 |
0.690 |
2 |
0 |
0 |
0.000 |
16 |
|
K |
56 |
16 |
15724 |
◊ |
D |
x,y,z |
1_555 |
47 |
19 |
15681 |
445.3 |
0.3 |
0.660 |
3 |
0 |
0 |
0.000 |
17 |
|
F |
56 |
15 |
15613 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
49 |
17 |
15673 |
434.6 |
0.2 |
0.663 |
4 |
1 |
0 |
0.000 |
18 |
|
M |
45 |
17 |
15702 |
◊ |
B |
x,y-1,z |
1_545 |
47 |
15 |
15618 |
418.9 |
0.6 |
0.667 |
2 |
0 |
0 |
0.000 |
19 |
|
F |
45 |
18 |
15613 |
◊ |
M |
x-1,y,z |
1_455 |
55 |
15 |
15702 |
418.3 |
0.3 |
0.671 |
2 |
0 |
0 |
0.000 |
20 |
|
D |
50 |
14 |
15681 |
◊ |
H |
x-1,y,z |
1_455 |
44 |
17 |
15583 |
414.9 |
0.6 |
0.695 |
3 |
1 |
0 |
0.000 |
Average: |
433.5 |
0.5 |
0.674 |
3 |
0 |
0 |
0.000 |
5 |
21 |
|
[ATP]A:402 |
30 |
1 |
644 |
f |
A |
x,y,z |
1_555 |
47 |
16 |
15673 |
358.8 |
-3.8 |
0.508 |
15 |
0 |
0 |
0.336 |
22 |
|
[ATP]E:402 |
30 |
1 |
640 |
f |
E |
x,y,z |
1_555 |
50 |
15 |
15587 |
341.9 |
-3.1 |
0.536 |
15 |
0 |
0 |
0.336 |
23 |
|
[ATP]C:402 |
30 |
1 |
640 |
f |
C |
x,y,z |
1_555 |
52 |
17 |
15352 |
335.8 |
-3.4 |
0.517 |
13 |
0 |
0 |
0.336 |
24 |
|
[ATP]N:402 |
30 |
1 |
643 |
f |
N |
x,y,z |
1_555 |
49 |
15 |
15647 |
332.0 |
-3.0 |
0.538 |
14 |
0 |
0 |
0.336 |
25 |
|
[ATP]I:402 |
30 |
1 |
643 |
f |
I |
x,y,z |
1_555 |
49 |
16 |
15640 |
331.9 |
-3.0 |
0.542 |
14 |
0 |
0 |
0.336 |
26 |
|
[ATP]F:402 |
30 |
1 |
644 |
f |
F |
x,y,z |
1_555 |
49 |
16 |
15613 |
331.8 |
-3.3 |
0.512 |
17 |
0 |
0 |
0.336 |
27 |
|
[ATP]L:402 |
29 |
1 |
640 |
f |
L |
x,y,z |
1_555 |
49 |
17 |
15439 |
331.5 |
-4.0 |
0.490 |
16 |
0 |
0 |
0.336 |
28 |
|
[ATP]G:402 |
30 |
1 |
645 |
f |
G |
x,y,z |
1_555 |
50 |
16 |
15704 |
331.0 |
-3.1 |
0.536 |
16 |
0 |
0 |
0.336 |
29 |
|
[ATP]M:402 |
30 |
1 |
642 |
f |
M |
x,y,z |
1_555 |
49 |
17 |
15702 |
329.8 |
-3.5 |
0.502 |
14 |
0 |
0 |
0.336 |
30 |
|
[ATP]B:402 |
30 |
1 |
641 |
f |
B |
x,y,z |
1_555 |
49 |
16 |
15618 |
329.8 |
-3.8 |
0.496 |
16 |
0 |
0 |
0.336 |
31 |
|
[ATP]D:402 |
30 |
1 |
644 |
f |
D |
x,y,z |
1_555 |
51 |
16 |
15681 |
328.8 |
-3.4 |
0.513 |
15 |
0 |
0 |
0.336 |
Average: |
334.8 |
-3.4 |
0.517 |
15 |
0 |
0 |
0.336 |
6 |
32 |
|
[ATP]H:402 |
30 |
1 |
643 |
f |
H |
x,y,z |
1_555 |
46 |
17 |
15583 |
353.3 |
-3.4 |
0.519 |
19 |
0 |
0 |
0.189 |
7 |
33 |
|
[ATP]J:402 |
30 |
1 |
642 |
f |
J |
x,y,z |
1_555 |
46 |
16 |
15577 |
340.9 |
-3.1 |
0.523 |
14 |
0 |
0 |
0.070 |
34 |
|
[ATP]K:402 |
30 |
1 |
640 |
f |
K |
x,y,z |
1_555 |
49 |
17 |
15724 |
331.2 |
-3.5 |
0.500 |
16 |
0 |
0 |
0.070 |
Average: |
336.1 |
-3.3 |
0.511 |
15 |
0 |
0 |
0.070 |
8 |
35 |
|
G |
21 |
9 |
15704 |
x |
G |
-x+2,y-1/2,-z+2 |
2_747 |
29 |
8 |
15704 |
244.6 |
0.6 |
0.699 |
5 |
0 |
0 |
0.000 |
36 |
|
E |
24 |
6 |
15587 |
x |
N |
x-1,y+1,z |
1_465 |
17 |
8 |
15647 |
226.7 |
1.6 |
0.789 |
2 |
0 |
0 |
0.000 |
37 |
|
J |
17 |
8 |
15577 |
x |
J |
-x+3,y-1/2,-z+3 |
2_848 |
28 |
7 |
15577 |
216.5 |
1.4 |
0.774 |
3 |
0 |
0 |
0.000 |
38 |
|
L |
27 |
7 |
15439 |
x |
C |
x,y,z |
1_555 |
17 |
8 |
15352 |
207.6 |
1.1 |
0.746 |
4 |
0 |
0 |
0.000 |
39 |
|
L |
16 |
7 |
15439 |
x |
C |
x,y-1,z |
1_545 |
20 |
6 |
15352 |
191.1 |
0.6 |
0.673 |
2 |
2 |
0 |
0.000 |
40 |
|
E |
14 |
7 |
15587 |
x |
N |
x-1,y,z |
1_455 |
23 |
6 |
15647 |
162.6 |
1.0 |
0.745 |
3 |
0 |
0 |
0.000 |
Average: |
208.2 |
1.1 |
0.738 |
3 |
0 |
0 |
0.000 |
9 |
41 |
|
[ATP]K:402 |
22 |
1 |
640 |
◊ |
J |
x,y,z |
1_555 |
33 |
10 |
15577 |
213.6 |
-0.3 |
0.625 |
1 |
0 |
0 |
0.008 |
42 |
|
[ATP]D:402 |
22 |
1 |
644 |
◊ |
C |
x,y,z |
1_555 |
34 |
10 |
15352 |
211.9 |
-0.0 |
0.644 |
1 |
0 |
0 |
0.008 |
43 |
|
[ATP]N:402 |
23 |
1 |
643 |
◊ |
M |
x,y,z |
1_555 |
34 |
10 |
15702 |
211.9 |
0.3 |
0.668 |
1 |
0 |
0 |
0.008 |
44 |
|
[ATP]L:402 |
22 |
1 |
640 |
◊ |
K |
x,y,z |
1_555 |
33 |
10 |
15724 |
211.5 |
0.5 |
0.682 |
1 |
0 |
0 |
0.008 |
45 |
|
[ATP]M:402 |
22 |
1 |
642 |
◊ |
L |
x,y,z |
1_555 |
37 |
11 |
15439 |
211.4 |
-0.2 |
0.645 |
1 |
0 |
0 |
0.008 |
46 |
|
[ATP]F:402 |
22 |
1 |
644 |
◊ |
E |
x,y,z |
1_555 |
35 |
10 |
15587 |
209.5 |
-0.2 |
0.640 |
1 |
0 |
0 |
0.008 |
47 |
|
[ATP]B:402 |
22 |
1 |
641 |
◊ |
A |
x,y,z |
1_555 |
34 |
10 |
15673 |
209.2 |
-0.1 |
0.646 |
1 |
0 |
0 |
0.008 |
48 |
|
[ATP]I:402 |
22 |
1 |
643 |
◊ |
H |
x,y,z |
1_555 |
34 |
10 |
15583 |
207.2 |
0.0 |
0.655 |
1 |
0 |
0 |
0.008 |
49 |
|
[ATP]G:402 |
22 |
1 |
645 |
◊ |
F |
x,y,z |
1_555 |
34 |
10 |
15613 |
205.6 |
0.5 |
0.668 |
1 |
0 |
0 |
0.008 |
50 |
|
[ATP]C:402 |
22 |
1 |
640 |
◊ |
B |
x,y,z |
1_555 |
33 |
10 |
15618 |
205.0 |
0.2 |
0.659 |
1 |
0 |
0 |
0.008 |
51 |
|
[ATP]E:402 |
22 |
1 |
640 |
◊ |
D |
x,y,z |
1_555 |
32 |
10 |
15681 |
196.7 |
0.5 |
0.680 |
1 |
0 |
0 |
0.008 |
52 |
|
[ATP]J:402 |
22 |
1 |
642 |
◊ |
I |
x,y,z |
1_555 |
31 |
10 |
15640 |
196.2 |
0.1 |
0.668 |
1 |
0 |
0 |
0.008 |
Average: |
207.5 |
0.1 |
0.657 |
1 |
0 |
0 |
0.008 |
10 |
53 |
|
K |
29 |
10 |
15724 |
◊ |
C |
x,y,z |
1_555 |
26 |
11 |
15352 |
201.7 |
1.3 |
0.753 |
1 |
0 |
0 |
0.000 |
54 |
|
L |
27 |
11 |
15439 |
◊ |
B |
x,y-1,z |
1_545 |
28 |
10 |
15618 |
196.3 |
0.4 |
0.682 |
1 |
0 |
0 |
0.000 |
55 |
|
E |
26 |
11 |
15587 |
◊ |
M |
x-1,y,z |
1_455 |
25 |
9 |
15702 |
191.6 |
0.7 |
0.703 |
1 |
0 |
0 |
0.000 |
56 |
|
J |
21 |
10 |
15577 |
◊ |
I |
-x+3,y-1/2,-z+3 |
2_848 |
24 |
9 |
15640 |
156.3 |
1.4 |
0.765 |
1 |
0 |
0 |
0.000 |
57 |
|
D |
20 |
7 |
15681 |
◊ |
N |
x-1,y+1,z |
1_465 |
19 |
8 |
15647 |
142.0 |
0.9 |
0.707 |
1 |
0 |
0 |
0.000 |
Average: |
177.6 |
0.9 |
0.722 |
1 |
0 |
0 |
0.000 |
11 |
58 |
|
N |
29 |
10 |
15647 |
◊ |
[ATP]H:402 |
x,y-1,z |
1_545 |
15 |
1 |
643 |
141.6 |
1.4 |
0.711 |
0 |
0 |
0 |
0.000 |
59 |
|
G |
13 |
7 |
15704 |
◊ |
[ATP]A:402 |
x,y-1,z |
1_545 |
8 |
1 |
644 |
80.8 |
1.8 |
0.758 |
0 |
0 |
0 |
0.000 |
Average: |
111.2 |
1.6 |
0.734 |
0 |
0 |
0 |
0.000 |
12 |
60 |
|
G |
17 |
7 |
15704 |
◊ |
F |
-x+2,y-1/2,-z+2 |
2_747 |
24 |
10 |
15613 |
137.2 |
0.6 |
0.702 |
1 |
0 |
0 |
0.000 |
13 |
61 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
15613 |
45.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.193 |
62 |
|
[MG]G:401 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
6 |
15704 |
45.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.193 |
63 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
15618 |
45.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.193 |
64 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
15673 |
42.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.193 |
65 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
15681 |
42.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.193 |
66 |
|
[MG]N:401 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
10 |
6 |
15647 |
42.5 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.193 |
67 |
|
[MG]K:401 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
11 |
6 |
15724 |
42.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.193 |
68 |
|
[MG]I:401 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
11 |
6 |
15640 |
42.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.193 |
69 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
15352 |
42.2 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.193 |
70 |
|
[MG]M:401 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
10 |
6 |
15702 |
41.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.193 |
71 |
|
[MG]H:401 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
15583 |
41.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.193 |
72 |
|
[MG]L:401 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
7 |
5 |
15439 |
41.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.193 |
73 |
|
[MG]E:401 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
15587 |
40.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.193 |
74 |
|
[MG]J:401 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
8 |
5 |
15577 |
38.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.193 |
Average: |
42.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.193 |
14 |
75 |
|
[ATP]H:402 |
5 |
1 |
643 |
f |
[MG]H:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.150 |
76 |
|
[ATP]J:402 |
6 |
1 |
642 |
f |
[MG]J:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.150 |
77 |
|
[ATP]E:402 |
5 |
1 |
640 |
f |
[MG]E:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.150 |
78 |
|
[ATP]A:402 |
5 |
1 |
644 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.150 |
79 |
|
[ATP]M:402 |
5 |
1 |
642 |
f |
[MG]M:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.150 |
80 |
|
[ATP]K:402 |
5 |
1 |
640 |
f |
[MG]K:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.150 |
81 |
|
[ATP]L:402 |
5 |
1 |
640 |
f |
[MG]L:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.150 |
82 |
|
[ATP]N:402 |
4 |
1 |
643 |
f |
[MG]N:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.7 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.150 |
83 |
|
[ATP]I:402 |
3 |
1 |
643 |
f |
[MG]I:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.150 |
84 |
|
[ATP]F:402 |
4 |
1 |
644 |
f |
[MG]F:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.150 |
85 |
|
[ATP]D:402 |
6 |
1 |
644 |
f |
[MG]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.150 |
86 |
|
[ATP]G:402 |
4 |
1 |
645 |
f |
[MG]G:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.150 |
87 |
|
[ATP]B:402 |
5 |
1 |
641 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.150 |
88 |
|
[ATP]C:402 |
4 |
1 |
640 |
f |
[MG]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.150 |
Average: |
33.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.150 |
15 |
89 |
|
G |
1 |
1 |
15704 |
◊ |
[ATP]G:402 |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
645 |
2.4 |
0.0 |
0.439 |
0 |
0 |
0 |
0.000 |
90 |
|
[ATP]E:402 |
1 |
1 |
640 |
◊ |
N |
x-1,y+1,z |
1_465 |
1 |
1 |
15647 |
0.3 |
0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
0.0 |
0.472 |
0 |
0 |
0 |
0.000 |
16 |
91 |
|
G |
1 |
1 |
15704 |
◊ |
A |
-x+2,y-1/2,-z+2 |
2_747 |
1 |
1 |
15673 |
1.8 |
0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
92 |
|
K |
1 |
1 |
15724 |
◊ |
J |
-x+3,y-1/2,-z+3 |
2_848 |
1 |
1 |
15577 |
1.3 |
-0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
93 |
|
E |
1 |
1 |
15587 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
15583 |
0.8 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
Average: |
1.3 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
17 |
94 |
|
L |
1 |
1 |
15439 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15681 |
1.3 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
18 |
95 |
|
[MG]M:401 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
15439 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|