## |
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 |
|
B |
218 |
58 |
12395 |
◊ |
A |
x,y,z |
1_555 |
214 |
55 |
12339 |
2062.0 |
-15.4 |
0.229 |
26 |
6 |
0 |
0.534 |
2 |
|
F |
221 |
58 |
12039 |
◊ |
E |
x,y,z |
1_555 |
209 |
57 |
12137 |
2046.2 |
-17.1 |
0.240 |
25 |
5 |
0 |
0.534 |
3 |
|
D |
222 |
57 |
12035 |
◊ |
C |
x,y,z |
1_555 |
214 |
57 |
12395 |
2040.9 |
-18.4 |
0.209 |
22 |
4 |
0 |
0.534 |
4 |
|
H |
206 |
54 |
11965 |
◊ |
G |
x,y,z |
1_555 |
212 |
58 |
12220 |
1966.9 |
-14.7 |
0.325 |
23 |
5 |
0 |
0.534 |
Average: |
2029.0 |
-16.4 |
0.251 |
24 |
5 |
0 |
0.534 |
2 |
5 |
|
D |
81 |
25 |
12035 |
◊ |
A |
x,y,z |
1_555 |
84 |
28 |
12339 |
765.9 |
-1.0 |
0.677 |
13 |
8 |
0 |
0.000 |
3 |
6 |
|
[D16]B:302 |
32 |
1 |
715 |
f |
B |
x,y,z |
1_555 |
62 |
24 |
12395 |
485.7 |
-2.2 |
0.301 |
4 |
0 |
0 |
0.155 |
7 |
|
[D16]G:301 |
32 |
1 |
715 |
f |
G |
x,y,z |
1_555 |
68 |
23 |
12220 |
456.0 |
-2.5 |
0.320 |
3 |
0 |
0 |
0.155 |
8 |
|
[D16]D:301 |
32 |
1 |
714 |
f |
D |
x,y,z |
1_555 |
69 |
26 |
12035 |
455.8 |
-3.0 |
0.320 |
4 |
0 |
0 |
0.155 |
9 |
|
[D16]A:301 |
32 |
1 |
716 |
f |
A |
x,y,z |
1_555 |
64 |
25 |
12339 |
450.6 |
-2.6 |
0.314 |
3 |
0 |
0 |
0.155 |
10 |
|
[D16]C:301 |
31 |
1 |
717 |
f |
C |
x,y,z |
1_555 |
61 |
23 |
12395 |
448.3 |
-2.6 |
0.356 |
3 |
0 |
0 |
0.155 |
11 |
|
[D16]E:301 |
32 |
1 |
718 |
f |
E |
x,y,z |
1_555 |
59 |
23 |
12137 |
448.1 |
-2.0 |
0.367 |
2 |
0 |
0 |
0.155 |
12 |
|
[D16]H:301 |
31 |
1 |
714 |
f |
H |
x,y,z |
1_555 |
68 |
24 |
11965 |
436.2 |
-2.3 |
0.420 |
3 |
0 |
0 |
0.155 |
13 |
|
[D16]F:301 |
32 |
1 |
716 |
f |
F |
x,y,z |
1_555 |
67 |
25 |
12039 |
425.1 |
-1.8 |
0.418 |
2 |
0 |
0 |
0.155 |
Average: |
450.7 |
-2.4 |
0.352 |
3 |
0 |
0 |
0.155 |
4 |
14 |
|
D |
51 |
16 |
12035 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
49 |
16 |
12395 |
417.2 |
1.0 |
0.754 |
4 |
1 |
0 |
0.000 |
5 |
15 |
|
E |
47 |
17 |
12137 |
◊ |
H |
x-1,y,z-1 |
1_454 |
41 |
16 |
11965 |
358.7 |
-4.5 |
0.306 |
0 |
0 |
0 |
0.000 |
6 |
16 |
|
F |
35 |
10 |
12039 |
◊ |
C |
x,y,z |
1_555 |
32 |
8 |
12395 |
332.3 |
2.9 |
0.882 |
7 |
9 |
0 |
0.000 |
17 |
|
G |
32 |
10 |
12220 |
◊ |
B |
x,y,z |
1_555 |
30 |
9 |
12395 |
324.9 |
2.1 |
0.810 |
5 |
9 |
0 |
0.000 |
Average: |
328.6 |
2.5 |
0.846 |
6 |
9 |
0 |
0.000 |
7 |
18 |
|
[UMP]H:302 |
18 |
1 |
465 |
f |
H |
x,y,z |
1_555 |
35 |
16 |
11965 |
251.7 |
-2.7 |
0.473 |
10 |
0 |
0 |
0.262 |
19 |
|
[UMP]E:302 |
20 |
1 |
464 |
f |
E |
x,y,z |
1_555 |
36 |
16 |
12137 |
243.6 |
-1.8 |
0.546 |
11 |
0 |
0 |
0.262 |
20 |
|
[UMP]C:302 |
20 |
1 |
459 |
f |
C |
x,y,z |
1_555 |
35 |
17 |
12395 |
242.9 |
-2.3 |
0.472 |
10 |
0 |
0 |
0.262 |
21 |
|
[UMP]B:301 |
20 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
36 |
19 |
12395 |
242.2 |
-2.4 |
0.427 |
10 |
0 |
0 |
0.262 |
22 |
|
[UMP]G:302 |
19 |
1 |
461 |
f |
G |
x,y,z |
1_555 |
34 |
17 |
12220 |
241.3 |
-1.6 |
0.551 |
10 |
0 |
0 |
0.262 |
23 |
|
[UMP]D:302 |
20 |
1 |
457 |
f |
D |
x,y,z |
1_555 |
38 |
19 |
12035 |
240.6 |
-2.3 |
0.470 |
10 |
0 |
0 |
0.262 |
24 |
|
[UMP]A:302 |
20 |
1 |
457 |
f |
A |
x,y,z |
1_555 |
37 |
18 |
12339 |
240.1 |
-2.5 |
0.426 |
12 |
0 |
0 |
0.262 |
25 |
|
[UMP]F:302 |
19 |
1 |
464 |
f |
F |
x,y,z |
1_555 |
36 |
18 |
12039 |
239.8 |
-2.3 |
0.475 |
11 |
0 |
0 |
0.262 |
Average: |
242.8 |
-2.2 |
0.480 |
11 |
0 |
0 |
0.262 |
8 |
26 |
|
H |
33 |
11 |
11965 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
26 |
8 |
12039 |
242.5 |
1.3 |
0.818 |
4 |
2 |
0 |
0.000 |
9 |
27 |
|
C |
25 |
10 |
12395 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
27 |
11 |
12039 |
189.7 |
-0.4 |
0.614 |
2 |
0 |
0 |
0.000 |
10 |
28 |
|
D |
21 |
6 |
12035 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
18 |
5 |
12039 |
162.2 |
-0.9 |
0.451 |
1 |
0 |
0 |
0.000 |
11 |
29 |
|
G |
21 |
6 |
12220 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
18 |
6 |
12039 |
161.1 |
-2.7 |
0.226 |
0 |
0 |
0 |
0.000 |
12 |
30 |
|
C |
20 |
6 |
12395 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
15 |
4 |
12395 |
143.8 |
-1.6 |
0.397 |
0 |
0 |
0 |
0.000 |
13 |
31 |
|
D |
16 |
7 |
12035 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
15 |
7 |
12137 |
143.4 |
0.5 |
0.727 |
2 |
1 |
0 |
0.000 |
14 |
32 |
|
H |
18 |
5 |
11965 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
13 |
3 |
12395 |
138.2 |
-2.0 |
0.294 |
0 |
0 |
0 |
0.000 |
15 |
33 |
|
G |
12 |
5 |
12220 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
4 |
12395 |
117.2 |
-0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
16 |
34 |
|
[UMP]H:302 |
13 |
1 |
465 |
f |
[D16]H:301 |
x,y,z |
1_555 |
14 |
1 |
714 |
96.2 |
1.2 |
0.579 |
0 |
0 |
0 |
0.000 |
35 |
|
[UMP]E:302 |
13 |
1 |
464 |
f |
[D16]E:301 |
x,y,z |
1_555 |
15 |
1 |
718 |
94.9 |
1.4 |
0.599 |
0 |
0 |
0 |
0.000 |
36 |
|
[UMP]F:302 |
14 |
1 |
464 |
f |
[D16]F:301 |
x,y,z |
1_555 |
15 |
1 |
716 |
94.4 |
1.4 |
0.592 |
0 |
0 |
0 |
0.000 |
37 |
|
[UMP]B:301 |
13 |
1 |
459 |
f |
[D16]B:302 |
x,y,z |
1_555 |
15 |
1 |
715 |
93.7 |
1.6 |
0.637 |
0 |
0 |
0 |
0.000 |
38 |
|
[UMP]A:302 |
13 |
1 |
457 |
f |
[D16]A:301 |
x,y,z |
1_555 |
14 |
1 |
716 |
93.5 |
1.3 |
0.611 |
0 |
0 |
0 |
0.000 |
39 |
|
[UMP]G:302 |
13 |
1 |
461 |
f |
[D16]G:301 |
x,y,z |
1_555 |
14 |
1 |
715 |
93.4 |
1.7 |
0.631 |
0 |
0 |
0 |
0.000 |
40 |
|
[UMP]D:302 |
13 |
1 |
457 |
f |
[D16]D:301 |
x,y,z |
1_555 |
14 |
1 |
714 |
92.0 |
1.4 |
0.618 |
0 |
0 |
0 |
0.000 |
41 |
|
[UMP]C:302 |
13 |
1 |
459 |
f |
[D16]C:301 |
x,y,z |
1_555 |
15 |
1 |
717 |
90.1 |
1.6 |
0.632 |
0 |
0 |
0 |
0.000 |
Average: |
93.5 |
1.4 |
0.612 |
0 |
0 |
0 |
0.000 |
17 |
42 |
|
[UMP]E:302 |
9 |
1 |
464 |
◊ |
F |
x,y,z |
1_555 |
12 |
2 |
12039 |
89.9 |
-2.5 |
0.348 |
4 |
0 |
0 |
0.171 |
43 |
|
[UMP]H:302 |
9 |
1 |
465 |
◊ |
G |
x,y,z |
1_555 |
13 |
2 |
12220 |
89.7 |
-2.5 |
0.352 |
4 |
0 |
0 |
0.171 |
44 |
|
[UMP]G:302 |
10 |
1 |
461 |
◊ |
H |
x,y,z |
1_555 |
13 |
2 |
11965 |
89.7 |
-2.5 |
0.369 |
5 |
0 |
0 |
0.171 |
45 |
|
[UMP]C:302 |
10 |
1 |
459 |
◊ |
D |
x,y,z |
1_555 |
13 |
2 |
12035 |
89.0 |
-2.5 |
0.368 |
4 |
0 |
0 |
0.171 |
46 |
|
[UMP]A:302 |
8 |
1 |
457 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
12395 |
88.3 |
-2.5 |
0.324 |
4 |
0 |
0 |
0.171 |
47 |
|
[UMP]F:302 |
9 |
1 |
464 |
◊ |
E |
x,y,z |
1_555 |
14 |
2 |
12137 |
86.8 |
-2.6 |
0.334 |
4 |
0 |
0 |
0.171 |
48 |
|
[UMP]D:302 |
10 |
1 |
457 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
12395 |
85.9 |
-2.5 |
0.361 |
4 |
0 |
0 |
0.171 |
49 |
|
[UMP]B:301 |
9 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
13 |
2 |
12339 |
85.4 |
-2.6 |
0.350 |
4 |
0 |
0 |
0.171 |
Average: |
88.1 |
-2.5 |
0.351 |
4 |
0 |
0 |
0.171 |
18 |
50 |
|
F |
7 |
3 |
12039 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12339 |
57.6 |
-0.4 |
0.542 |
0 |
0 |
0 |
0.000 |
19 |
51 |
|
A |
6 |
3 |
12339 |
◊ |
G |
x-1,y,z |
1_455 |
4 |
2 |
12220 |
55.8 |
-1.4 |
0.138 |
0 |
0 |
0 |
0.000 |
20 |
52 |
|
C |
4 |
2 |
12395 |
◊ |
[D16]F:301 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
716 |
38.6 |
-0.6 |
0.290 |
0 |
0 |
0 |
0.000 |
21 |
53 |
|
E |
4 |
1 |
12137 |
◊ |
G |
x-1,y,z |
1_455 |
4 |
2 |
12220 |
34.2 |
0.4 |
0.533 |
0 |
0 |
0 |
0.000 |
22 |
54 |
|
E |
4 |
1 |
12137 |
◊ |
B |
x-1,y,z-1 |
1_454 |
4 |
2 |
12395 |
25.4 |
0.6 |
0.776 |
0 |
0 |
0 |
0.000 |
55 |
|
C |
1 |
1 |
12395 |
◊ |
H |
x-1,y,z-1 |
1_454 |
3 |
2 |
11965 |
14.8 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
Average: |
20.1 |
0.3 |
0.689 |
0 |
0 |
0 |
0.000 |
23 |
56 |
|
E |
3 |
2 |
12137 |
◊ |
C |
x-1,y,z |
1_455 |
3 |
1 |
12395 |
20.2 |
0.0 |
0.498 |
0 |
0 |
0 |
0.000 |
24 |
57 |
|
G |
4 |
3 |
12220 |
◊ |
[D16]B:302 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
715 |
19.0 |
0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
25 |
58 |
|
G |
2 |
1 |
12220 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
12035 |
18.3 |
0.7 |
0.860 |
0 |
0 |
0 |
0.000 |
26 |
59 |
|
H |
2 |
2 |
11965 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
2 |
12395 |
13.4 |
0.4 |
0.781 |
0 |
0 |
0 |
0.000 |
27 |
60 |
|
[D16]B:302 |
1 |
1 |
715 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12339 |
11.0 |
0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
61 |
|
[D16]G:301 |
1 |
1 |
715 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
11965 |
10.2 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
62 |
|
[D16]F:301 |
1 |
1 |
716 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12137 |
9.8 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
63 |
|
[D16]A:301 |
1 |
1 |
716 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12395 |
7.5 |
0.1 |
0.590 |
0 |
0 |
0 |
0.000 |
64 |
|
[D16]E:301 |
1 |
1 |
718 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12039 |
7.2 |
0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
65 |
|
[D16]D:301 |
1 |
1 |
714 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
12395 |
5.8 |
0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
66 |
|
[D16]H:301 |
1 |
1 |
714 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
12220 |
5.5 |
0.1 |
0.581 |
0 |
0 |
0 |
0.000 |
67 |
|
[D16]C:301 |
1 |
1 |
717 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12035 |
4.3 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
Average: |
7.7 |
0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
28 |
68 |
|
C |
1 |
1 |
12395 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
1 |
12339 |
7.2 |
0.3 |
0.793 |
0 |
0 |
0 |
0.000 |
29 |
69 |
|
A |
1 |
1 |
12339 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
12395 |
4.8 |
0.2 |
0.798 |
0 |
0 |
0 |
0.000 |
|