## |
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 |
142 |
37 |
17496 |
◊ |
C |
x,y,z |
1_555 |
138 |
33 |
17774 |
1332.6 |
-11.9 |
0.145 |
13 |
4 |
0 |
0.348 |
2 |
|
B |
140 |
36 |
17488 |
◊ |
A |
x,y,z |
1_555 |
132 |
31 |
17574 |
1316.9 |
-13.4 |
0.091 |
13 |
3 |
0 |
0.348 |
3 |
|
J |
141 |
37 |
17387 |
◊ |
I |
x,y,z |
1_555 |
141 |
33 |
17508 |
1313.7 |
-14.5 |
0.077 |
15 |
6 |
0 |
0.348 |
4 |
|
H |
137 |
37 |
17202 |
◊ |
G |
x,y,z |
1_555 |
141 |
34 |
17172 |
1300.6 |
-13.0 |
0.102 |
16 |
4 |
0 |
0.348 |
Average: |
1316.0 |
-13.2 |
0.104 |
14 |
4 |
0 |
0.348 |
2 |
5 |
|
K |
145 |
38 |
25808 |
◊ |
C |
x,y,z |
1_555 |
132 |
40 |
17774 |
1205.2 |
-9.9 |
0.267 |
9 |
1 |
0 |
0.041 |
6 |
|
I |
106 |
32 |
17508 |
◊ |
E |
x-1,y,z |
1_455 |
139 |
34 |
25728 |
1046.9 |
-9.7 |
0.212 |
6 |
1 |
0 |
0.041 |
Average: |
1126.0 |
-9.8 |
0.239 |
8 |
1 |
0 |
0.041 |
3 |
7 |
|
L |
93 |
28 |
6643 |
◊ |
J |
x,y,z |
1_555 |
92 |
23 |
17387 |
919.6 |
-8.4 |
0.305 |
8 |
10 |
0 |
0.381 |
8 |
|
F |
82 |
26 |
6792 |
◊ |
D |
x,y,z |
1_555 |
81 |
21 |
17496 |
784.8 |
-6.0 |
0.408 |
6 |
7 |
0 |
0.381 |
Average: |
852.2 |
-7.2 |
0.356 |
7 |
9 |
0 |
0.381 |
4 |
9 |
|
B |
81 |
24 |
17488 |
◊ |
C |
x,y,z |
1_555 |
96 |
27 |
17774 |
799.2 |
-5.0 |
0.359 |
10 |
3 |
0 |
0.073 |
10 |
|
H |
91 |
24 |
17202 |
◊ |
I |
x,y,z |
1_555 |
93 |
25 |
17508 |
776.3 |
-7.5 |
0.214 |
10 |
2 |
0 |
0.073 |
Average: |
787.7 |
-6.2 |
0.286 |
10 |
3 |
0 |
0.073 |
5 |
11 |
|
E |
66 |
21 |
25728 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
65 |
15 |
6643 |
673.3 |
-12.0 |
0.064 |
2 |
0 |
0 |
1.000 |
12 |
|
F |
60 |
16 |
6792 |
◊ |
K |
-x,y-1/2,-z-1 |
2_544 |
68 |
21 |
25808 |
611.8 |
-11.8 |
0.066 |
2 |
0 |
0 |
1.000 |
Average: |
642.6 |
-11.9 |
0.065 |
2 |
0 |
0 |
1.000 |
6 |
13 |
|
E |
59 |
20 |
25728 |
◊ |
D |
x,y,z |
1_555 |
66 |
21 |
17496 |
526.8 |
-2.1 |
0.514 |
2 |
1 |
0 |
0.024 |
14 |
|
K |
62 |
18 |
25808 |
◊ |
J |
x,y,z |
1_555 |
67 |
21 |
17387 |
499.5 |
-3.0 |
0.448 |
2 |
1 |
0 |
0.024 |
Average: |
513.2 |
-2.6 |
0.481 |
2 |
1 |
0 |
0.024 |
7 |
15 |
|
K |
48 |
16 |
25808 |
◊ |
H |
x,y,z |
1_555 |
61 |
22 |
17202 |
476.6 |
-2.1 |
0.485 |
3 |
2 |
0 |
0.022 |
16 |
|
E |
45 |
17 |
25728 |
◊ |
B |
x,y,z |
1_555 |
53 |
18 |
17488 |
423.0 |
-3.2 |
0.348 |
4 |
1 |
0 |
0.022 |
Average: |
449.8 |
-2.7 |
0.416 |
4 |
2 |
0 |
0.022 |
8 |
17 |
|
E |
43 |
16 |
25728 |
◊ |
C |
x,y,z |
1_555 |
52 |
16 |
17774 |
415.8 |
-3.2 |
0.390 |
5 |
2 |
0 |
0.036 |
18 |
|
K |
36 |
13 |
25808 |
◊ |
I |
x,y,z |
1_555 |
48 |
14 |
17508 |
379.6 |
-2.6 |
0.418 |
7 |
2 |
0 |
0.036 |
Average: |
397.7 |
-2.9 |
0.404 |
6 |
2 |
0 |
0.036 |
9 |
19 |
|
[GTP]A:600 |
32 |
1 |
626 |
f |
A |
x,y,z |
1_555 |
65 |
30 |
17574 |
415.1 |
-1.8 |
0.596 |
22 |
0 |
0 |
0.187 |
20 |
|
[GTP]I:600 |
32 |
1 |
627 |
f |
I |
x,y,z |
1_555 |
66 |
29 |
17508 |
412.7 |
-2.2 |
0.586 |
18 |
0 |
0 |
0.187 |
21 |
|
[GTP]C:600 |
32 |
1 |
627 |
f |
C |
x,y,z |
1_555 |
66 |
29 |
17774 |
411.8 |
-2.3 |
0.577 |
19 |
0 |
0 |
0.187 |
22 |
|
[GTP]G:600 |
32 |
1 |
626 |
f |
G |
x,y,z |
1_555 |
67 |
30 |
17172 |
411.6 |
-2.0 |
0.591 |
18 |
0 |
0 |
0.187 |
Average: |
412.8 |
-2.1 |
0.587 |
19 |
0 |
0 |
0.187 |
10 |
23 |
|
[GDP]D:600 |
28 |
1 |
561 |
f |
D |
x,y,z |
1_555 |
67 |
26 |
17496 |
405.3 |
-7.3 |
0.501 |
11 |
0 |
0 |
0.350 |
24 |
|
[GDP]J:600 |
28 |
1 |
561 |
f |
J |
x,y,z |
1_555 |
69 |
27 |
17387 |
405.0 |
-7.0 |
0.522 |
12 |
0 |
0 |
0.350 |
25 |
|
[GDP]B:600 |
28 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
69 |
26 |
17488 |
404.3 |
-6.7 |
0.518 |
11 |
0 |
0 |
0.350 |
26 |
|
[GDP]H:600 |
28 |
1 |
558 |
f |
H |
x,y,z |
1_555 |
65 |
26 |
17202 |
403.5 |
-6.6 |
0.544 |
10 |
0 |
0 |
0.350 |
Average: |
404.5 |
-6.9 |
0.521 |
11 |
0 |
0 |
0.350 |
11 |
27 |
|
K |
35 |
11 |
25808 |
◊ |
G |
x,y,z |
1_555 |
41 |
12 |
17172 |
371.2 |
-2.0 |
0.458 |
6 |
4 |
0 |
0.031 |
28 |
|
E |
35 |
11 |
25728 |
◊ |
A |
x,y,z |
1_555 |
40 |
12 |
17574 |
356.9 |
-1.9 |
0.470 |
7 |
4 |
0 |
0.031 |
Average: |
364.1 |
-1.9 |
0.464 |
7 |
4 |
0 |
0.031 |
12 |
29 |
|
K |
41 |
15 |
25808 |
◊ |
B |
x,y,z |
1_555 |
41 |
17 |
17488 |
349.6 |
1.5 |
0.730 |
3 |
3 |
0 |
0.000 |
30 |
|
H |
42 |
15 |
17202 |
◊ |
E |
x-1,y,z |
1_455 |
41 |
16 |
25728 |
316.6 |
0.7 |
0.710 |
2 |
2 |
0 |
0.000 |
Average: |
333.1 |
1.1 |
0.720 |
3 |
3 |
0 |
0.000 |
13 |
31 |
|
G |
27 |
9 |
17172 |
◊ |
K |
-x-1,y-1/2,-z-1 |
2_444 |
35 |
8 |
25808 |
255.9 |
-1.4 |
0.265 |
2 |
0 |
0 |
0.000 |
32 |
|
E |
38 |
8 |
25728 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
27 |
9 |
17574 |
255.9 |
-1.8 |
0.308 |
2 |
0 |
0 |
0.000 |
Average: |
255.9 |
-1.6 |
0.286 |
2 |
0 |
0 |
0.000 |
14 |
33 |
|
C |
31 |
11 |
17774 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
30 |
12 |
17574 |
224.4 |
-0.5 |
0.564 |
2 |
1 |
0 |
0.000 |
34 |
|
G |
24 |
9 |
17172 |
◊ |
I |
-x-1,y-1/2,-z-1 |
2_444 |
27 |
9 |
17508 |
219.7 |
-0.6 |
0.536 |
1 |
1 |
0 |
0.000 |
Average: |
222.0 |
-0.5 |
0.550 |
2 |
1 |
0 |
0.000 |
15 |
35 |
|
K |
17 |
8 |
25808 |
◊ |
A |
x,y,z |
1_555 |
21 |
6 |
17574 |
160.5 |
-0.3 |
0.564 |
1 |
0 |
0 |
0.000 |
36 |
|
G |
15 |
6 |
17172 |
◊ |
E |
x-1,y,z |
1_455 |
14 |
6 |
25728 |
129.0 |
0.5 |
0.710 |
1 |
0 |
0 |
0.000 |
Average: |
144.7 |
0.1 |
0.637 |
1 |
0 |
0 |
0.000 |
16 |
37 |
|
E |
11 |
3 |
25728 |
◊ |
J |
-x,y-1/2,-z |
2_545 |
20 |
7 |
17387 |
113.3 |
-1.5 |
0.359 |
0 |
0 |
0 |
0.003 |
38 |
|
D |
16 |
6 |
17496 |
◊ |
K |
-x,y-1/2,-z-1 |
2_544 |
10 |
3 |
25808 |
99.3 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.003 |
Average: |
106.3 |
-0.8 |
0.472 |
0 |
0 |
0 |
0.003 |
17 |
39 |
|
H |
8 |
2 |
17202 |
◊ |
C |
x-1,y,z |
1_455 |
5 |
2 |
17774 |
59.8 |
0.0 |
0.538 |
0 |
1 |
0 |
0.000 |
40 |
|
B |
2 |
1 |
17488 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
17508 |
3.9 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
Average: |
31.9 |
0.1 |
0.590 |
0 |
1 |
0 |
0.000 |
18 |
41 |
|
I |
5 |
1 |
17508 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
4 |
17574 |
56.3 |
0.9 |
0.829 |
0 |
0 |
0 |
0.000 |
42 |
|
G |
4 |
2 |
17172 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
17774 |
31.5 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
Average: |
43.9 |
0.4 |
0.621 |
0 |
0 |
0 |
0.000 |
19 |
43 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
17488 |
52.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.134 |
44 |
|
[MG]H:601 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
4 |
17202 |
49.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.134 |
45 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
17496 |
49.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.134 |
46 |
|
[MG]J:601 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
6 |
2 |
17387 |
49.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.134 |
Average: |
50.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.134 |
20 |
47 |
|
[GTP]A:600 |
10 |
1 |
626 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17488 |
50.9 |
0.8 |
0.748 |
1 |
0 |
0 |
0.000 |
48 |
|
[GTP]G:600 |
8 |
1 |
626 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
17202 |
48.2 |
0.7 |
0.743 |
1 |
0 |
0 |
0.000 |
49 |
|
[GTP]C:600 |
7 |
1 |
627 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
17496 |
45.6 |
0.7 |
0.741 |
1 |
0 |
0 |
0.000 |
50 |
|
[GTP]I:600 |
8 |
1 |
627 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
17387 |
45.0 |
0.6 |
0.745 |
1 |
0 |
0 |
0.000 |
Average: |
47.4 |
0.7 |
0.744 |
1 |
0 |
0 |
0.000 |
21 |
51 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
17774 |
46.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.089 |
52 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
17574 |
45.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.089 |
53 |
|
[MG]G:601 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
17172 |
45.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.089 |
54 |
|
[MG]I:601 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
12 |
5 |
17508 |
44.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
45.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.089 |
22 |
55 |
|
[GDP]D:600 |
6 |
1 |
561 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.135 |
56 |
|
[GDP]J:600 |
5 |
1 |
561 |
f |
[MG]J:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.135 |
57 |
|
[GDP]B:600 |
6 |
1 |
558 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.135 |
58 |
|
[GDP]H:600 |
4 |
1 |
558 |
f |
[MG]H:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.135 |
Average: |
31.8 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.135 |
23 |
59 |
|
D |
4 |
2 |
17496 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
17172 |
33.5 |
0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
60 |
|
J |
4 |
1 |
17387 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
17574 |
19.8 |
-0.3 |
0.244 |
0 |
0 |
0 |
0.000 |
Average: |
26.6 |
-0.1 |
0.363 |
0 |
0 |
0 |
0.000 |
24 |
61 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[GTP]A:600 |
x,y,z |
1_555 |
5 |
1 |
626 |
31.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.070 |
62 |
|
[MG]G:601 |
1 |
1 |
98 |
f |
[GTP]G:600 |
x,y,z |
1_555 |
5 |
1 |
626 |
31.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.070 |
63 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
[GTP]C:600 |
x,y,z |
1_555 |
4 |
1 |
627 |
31.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.070 |
64 |
|
[MG]I:601 |
1 |
1 |
98 |
f |
[GTP]I:600 |
x,y,z |
1_555 |
4 |
1 |
627 |
30.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.070 |
Average: |
31.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.070 |
25 |
65 |
|
[MG]I:601 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
17387 |
15.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
66 |
|
[MG]G:601 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
17202 |
14.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
67 |
|
[MG]C:601 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17496 |
9.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.016 |
68 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17488 |
7.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
11.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.016 |
26 |
69 |
|
D |
1 |
1 |
17496 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
17574 |
14.7 |
0.3 |
0.764 |
0 |
0 |
0 |
0.000 |
27 |
70 |
|
[MG]H:601 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
17508 |
13.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
71 |
|
[MG]B:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
17774 |
8.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.007 |
Average: |
11.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
28 |
72 |
|
I |
2 |
2 |
17508 |
◊ |
B |
x-1,y,z |
1_455 |
3 |
2 |
17488 |
10.1 |
0.2 |
0.676 |
0 |
0 |
0 |
0.000 |
73 |
|
H |
2 |
2 |
17202 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
17774 |
1.2 |
0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
Average: |
5.7 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
29 |
74 |
|
I |
1 |
1 |
17508 |
◊ |
L |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
6643 |
0.8 |
0.0 |
0.695 |
0 |
0 |
0 |
0.000 |
|