## |
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 |
127 |
39 |
11739 |
◊ |
A |
x,y,z |
1_555 |
128 |
35 |
10938 |
1099.9 |
-2.0 |
0.749 |
17 |
4 |
0 |
0.124 |
2 |
|
D |
119 |
35 |
11855 |
◊ |
C |
x,y,z |
1_555 |
120 |
34 |
10892 |
980.6 |
-0.7 |
0.813 |
17 |
3 |
0 |
0.124 |
Average: |
1040.2 |
-1.4 |
0.781 |
17 |
4 |
0 |
0.124 |
2 |
3 |
|
B |
71 |
22 |
11739 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
80 |
27 |
10938 |
731.4 |
-4.0 |
0.593 |
6 |
0 |
0 |
0.000 |
4 |
|
D |
67 |
20 |
11855 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
71 |
23 |
10892 |
702.6 |
-3.9 |
0.543 |
7 |
0 |
0 |
0.000 |
Average: |
717.0 |
-3.9 |
0.568 |
7 |
0 |
0 |
0.000 |
3 |
5 |
|
[CTP]D:501 |
28 |
1 |
556 |
f |
D |
x,y,z |
1_555 |
45 |
18 |
11855 |
344.0 |
-1.8 |
0.722 |
8 |
0 |
0 |
0.115 |
6 |
|
[CTP]A:501 |
26 |
1 |
566 |
f |
A |
x,y,z |
1_555 |
45 |
19 |
10938 |
325.8 |
-1.7 |
0.690 |
8 |
0 |
0 |
0.115 |
7 |
|
[CTP]C:501 |
28 |
1 |
562 |
f |
C |
x,y,z |
1_555 |
45 |
18 |
10892 |
318.6 |
-1.4 |
0.710 |
7 |
0 |
0 |
0.115 |
Average: |
329.5 |
-1.6 |
0.707 |
8 |
0 |
0 |
0.115 |
4 |
8 |
|
C |
37 |
13 |
10892 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
38 |
15 |
11855 |
339.6 |
-3.4 |
0.409 |
1 |
0 |
0 |
0.000 |
5 |
9 |
|
C |
42 |
14 |
10892 |
◊ |
B |
x,y,z |
1_555 |
34 |
7 |
11739 |
334.5 |
-3.8 |
0.294 |
0 |
0 |
0 |
0.000 |
10 |
|
D |
30 |
7 |
11855 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
10938 |
311.2 |
-4.1 |
0.194 |
2 |
0 |
0 |
0.000 |
Average: |
322.9 |
-3.9 |
0.244 |
1 |
0 |
0 |
0.000 |
6 |
11 |
|
[CTP]B:501 |
26 |
1 |
553 |
f |
B |
x,y,z |
1_555 |
45 |
18 |
11739 |
326.1 |
-1.1 |
0.700 |
5 |
0 |
0 |
0.040 |
7 |
12 |
|
C |
34 |
12 |
10892 |
◊ |
A |
x,y,z |
1_555 |
34 |
13 |
10938 |
315.4 |
0.5 |
0.771 |
6 |
0 |
0 |
0.000 |
8 |
13 |
|
A |
29 |
10 |
10938 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
36 |
13 |
10892 |
294.8 |
-3.7 |
0.331 |
1 |
0 |
0 |
0.000 |
14 |
|
C |
31 |
10 |
10892 |
◊ |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
35 |
12 |
10938 |
292.1 |
-3.7 |
0.332 |
0 |
0 |
0 |
0.000 |
Average: |
293.5 |
-3.7 |
0.332 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
D |
30 |
8 |
11855 |
◊ |
B |
-x+5/2,-y+1,z-1/2 |
2_764 |
33 |
8 |
11739 |
284.0 |
-1.6 |
0.566 |
1 |
0 |
0 |
0.000 |
10 |
16 |
|
[N9N]B:505 |
18 |
1 |
405 |
f |
B |
x,y,z |
1_555 |
33 |
14 |
11739 |
242.1 |
-5.6 |
0.700 |
1 |
0 |
0 |
0.075 |
17 |
|
[N9N]D:504 |
18 |
1 |
407 |
f |
D |
x,y,z |
1_555 |
34 |
14 |
11855 |
235.2 |
-5.5 |
0.690 |
2 |
0 |
0 |
0.075 |
Average: |
238.6 |
-5.5 |
0.695 |
2 |
0 |
0 |
0.075 |
11 |
18 |
|
A |
27 |
12 |
10938 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
27 |
13 |
11739 |
231.0 |
-4.5 |
0.209 |
1 |
1 |
0 |
0.000 |
12 |
19 |
|
[N9N]B:503 |
17 |
1 |
410 |
◊ |
B |
x,y,z |
1_555 |
30 |
11 |
11739 |
202.3 |
-5.3 |
0.624 |
1 |
0 |
0 |
0.071 |
13 |
20 |
|
[N9N]B:504 |
17 |
1 |
406 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
10938 |
181.9 |
-4.8 |
0.501 |
1 |
0 |
0 |
0.064 |
21 |
|
[N9N]C:503 |
17 |
1 |
405 |
◊ |
D |
x,y,z |
1_555 |
29 |
10 |
11855 |
176.4 |
-4.2 |
0.571 |
1 |
0 |
0 |
0.064 |
Average: |
179.1 |
-4.5 |
0.536 |
1 |
0 |
0 |
0.064 |
14 |
22 |
|
[N9N]D:503 |
17 |
1 |
407 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
10892 |
172.1 |
-3.8 |
0.579 |
2 |
0 |
0 |
0.055 |
15 |
23 |
|
C |
19 |
8 |
10892 |
◊ |
D |
x,y-1,z |
1_545 |
20 |
6 |
11855 |
158.6 |
0.4 |
0.738 |
2 |
0 |
0 |
0.000 |
24 |
|
A |
12 |
7 |
10938 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
6 |
11739 |
94.9 |
-0.4 |
0.616 |
0 |
0 |
0 |
0.000 |
Average: |
126.7 |
-0.0 |
0.677 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
[N9N]B:503 |
13 |
1 |
410 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
10938 |
140.9 |
-7.0 |
0.323 |
2 |
0 |
0 |
0.096 |
17 |
26 |
|
[N9N]D:503 |
13 |
1 |
407 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
11855 |
136.8 |
-7.5 |
0.343 |
5 |
0 |
0 |
0.114 |
18 |
27 |
|
[N9N]B:504 |
13 |
1 |
406 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
11739 |
127.9 |
-7.0 |
0.349 |
4 |
0 |
0 |
0.107 |
28 |
|
[N9N]C:503 |
13 |
1 |
405 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
10892 |
117.7 |
-6.4 |
0.312 |
4 |
0 |
0 |
0.107 |
Average: |
122.8 |
-6.7 |
0.331 |
4 |
0 |
0 |
0.107 |
19 |
29 |
|
[CTP]C:501 |
14 |
1 |
562 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
11855 |
123.3 |
2.0 |
0.825 |
4 |
0 |
0 |
0.006 |
30 |
|
[CTP]A:501 |
10 |
1 |
566 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11739 |
100.0 |
1.3 |
0.784 |
4 |
0 |
0 |
0.006 |
Average: |
111.7 |
1.7 |
0.805 |
4 |
0 |
0 |
0.006 |
20 |
31 |
|
[CTP]B:501 |
8 |
1 |
553 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
10938 |
87.1 |
1.6 |
0.809 |
2 |
0 |
0 |
0.000 |
32 |
|
[CTP]D:501 |
4 |
1 |
556 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
10892 |
46.1 |
0.7 |
0.745 |
0 |
0 |
0 |
0.000 |
Average: |
66.6 |
1.2 |
0.777 |
1 |
0 |
0 |
0.000 |
21 |
33 |
|
A |
11 |
4 |
10938 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
11 |
3 |
11855 |
85.3 |
-1.4 |
0.393 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[ACT]C:504 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
11855 |
81.4 |
-0.9 |
0.593 |
2 |
0 |
0 |
0.040 |
35 |
|
[ACT]C:505 |
4 |
1 |
181 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
10892 |
79.6 |
-0.8 |
0.579 |
2 |
0 |
0 |
0.040 |
Average: |
80.5 |
-0.8 |
0.586 |
2 |
0 |
0 |
0.040 |
23 |
36 |
|
[ACT]B:506 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
11739 |
79.1 |
-0.9 |
0.591 |
2 |
0 |
0 |
0.022 |
24 |
37 |
|
[ACT]C:504 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
10892 |
39.0 |
-0.2 |
0.698 |
1 |
0 |
0 |
0.014 |
38 |
|
[ACT]C:505 |
4 |
1 |
181 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
11855 |
37.2 |
-0.1 |
0.713 |
1 |
0 |
0 |
0.014 |
Average: |
38.1 |
-0.2 |
0.706 |
1 |
0 |
0 |
0.014 |
25 |
39 |
|
[ACT]B:506 |
3 |
1 |
184 |
f |
[N9N]B:504 |
x,y,z |
1_555 |
6 |
1 |
406 |
38.5 |
-1.8 |
0.672 |
2 |
0 |
0 |
0.033 |
26 |
40 |
|
[ACT]C:504 |
3 |
1 |
182 |
f |
[N9N]D:503 |
x,y,z |
1_555 |
6 |
1 |
407 |
38.0 |
-1.8 |
0.683 |
1 |
0 |
0 |
0.026 |
27 |
41 |
|
A |
5 |
2 |
10938 |
x |
A |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
10938 |
37.1 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
6 |
2 |
10892 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
4 |
3 |
10892 |
26.9 |
0.0 |
0.602 |
0 |
0 |
0 |
0.000 |
Average: |
32.0 |
0.3 |
0.694 |
0 |
0 |
0 |
0.000 |
28 |
43 |
|
[ACT]B:506 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
10938 |
36.9 |
-0.1 |
0.701 |
1 |
0 |
0 |
0.007 |
29 |
44 |
|
[ACT]C:505 |
3 |
1 |
181 |
f |
[N9N]C:503 |
x,y,z |
1_555 |
6 |
1 |
405 |
34.7 |
-1.5 |
0.680 |
2 |
0 |
0 |
0.028 |
30 |
45 |
|
[CA]D:502 |
1 |
1 |
85 |
f |
[CTP]D:501 |
x,y,z |
1_555 |
5 |
1 |
556 |
33.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.155 |
46 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
[CTP]B:501 |
x,y,z |
1_555 |
7 |
1 |
553 |
31.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.155 |
47 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
[CTP]A:501 |
x,y,z |
1_555 |
5 |
1 |
566 |
30.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.155 |
48 |
|
[CA]C:502 |
1 |
1 |
85 |
f |
[CTP]C:501 |
x,y,z |
1_555 |
5 |
1 |
562 |
29.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.155 |
Average: |
31.0 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.155 |
31 |
49 |
|
B |
5 |
1 |
11739 |
x |
B |
-x+3,y-1/2,-z+1/2 |
3_845 |
2 |
1 |
11739 |
33.1 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
50 |
|
D |
1 |
1 |
11855 |
x |
D |
x-1/2,-y+3/2,-z |
4_465 |
2 |
1 |
11855 |
3.7 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
Average: |
18.4 |
0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
32 |
51 |
|
[CA]C:502 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
11855 |
26.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.059 |
52 |
|
[CA]A:502 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
11739 |
24.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.059 |
53 |
|
[CA]B:502 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
10938 |
16.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.059 |
54 |
|
[CA]D:502 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10892 |
9.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
19.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.059 |
33 |
55 |
|
[CA]B:502 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
11739 |
24.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.092 |
56 |
|
[CA]D:502 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
11855 |
24.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.092 |
57 |
|
[CA]A:502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
10938 |
21.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.092 |
58 |
|
[CA]C:502 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
10892 |
19.6 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.092 |
Average: |
22.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.092 |
34 |
59 |
|
C |
1 |
1 |
10892 |
◊ |
[N9N]C:503 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
405 |
21.7 |
-0.2 |
0.303 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
D |
3 |
2 |
11855 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
11739 |
21.2 |
0.5 |
0.812 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
B |
1 |
1 |
11739 |
◊ |
A |
-x+3,y-1/2,-z+1/2 |
3_845 |
1 |
1 |
10938 |
4.6 |
-0.0 |
0.524 |
0 |
0 |
0 |
0.000 |
|