## |
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 |
47 |
14 |
2661 |
◊ |
A |
x,y,z |
1_555 |
55 |
13 |
2750 |
567.7 |
-17.2 |
0.552 |
0 |
0 |
0 |
1.000 |
2 |
|
C |
42 |
14 |
2636 |
◊ |
B |
x,y,z |
1_555 |
47 |
13 |
2661 |
536.9 |
-16.7 |
0.446 |
0 |
0 |
0 |
1.000 |
3 |
|
E |
49 |
14 |
2642 |
◊ |
A |
x,y,z |
1_555 |
48 |
14 |
2750 |
530.2 |
-16.5 |
0.667 |
0 |
0 |
0 |
1.000 |
4 |
|
D |
44 |
14 |
2669 |
◊ |
C |
x,y,z |
1_555 |
55 |
14 |
2636 |
522.8 |
-16.3 |
0.563 |
0 |
0 |
0 |
1.000 |
5 |
|
E |
46 |
14 |
2642 |
◊ |
D |
x,y,z |
1_555 |
49 |
13 |
2669 |
507.2 |
-15.9 |
0.621 |
0 |
0 |
0 |
1.000 |
Average: |
533.0 |
-16.5 |
0.570 |
0 |
0 |
0 |
1.000 |
2 |
6 |
|
D |
34 |
8 |
2669 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
34 |
8 |
2669 |
293.7 |
-7.7 |
0.841 |
0 |
0 |
0 |
0.000 |
3 |
7 |
|
E |
32 |
8 |
2642 |
◊ |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
30 |
6 |
2750 |
249.7 |
-5.4 |
0.950 |
0 |
0 |
0 |
0.000 |
4 |
8 |
|
E |
25 |
7 |
2642 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
34 |
9 |
2661 |
245.0 |
-7.5 |
0.807 |
0 |
0 |
0 |
0.841 |
5 |
9 |
|
C |
26 |
6 |
2636 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
26 |
6 |
2636 |
234.7 |
-5.5 |
0.872 |
0 |
0 |
0 |
0.004 |
6 |
10 |
|
C |
28 |
7 |
2636 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
25 |
7 |
2750 |
234.5 |
-6.2 |
0.802 |
0 |
0 |
0 |
0.127 |
7 |
11 |
|
B |
22 |
5 |
2661 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
22 |
5 |
2661 |
219.8 |
-2.8 |
0.940 |
0 |
0 |
0 |
0.002 |
8 |
12 |
|
D |
22 |
5 |
2669 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
29 |
7 |
2750 |
189.8 |
-5.7 |
0.815 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
C |
12 |
6 |
2636 |
◊ |
B |
-x,y,-z+1/2 |
3_555 |
18 |
5 |
2661 |
141.4 |
-4.5 |
0.571 |
0 |
0 |
0 |
0.006 |
10 |
14 |
|
[C8E]A:101 |
12 |
1 |
407 |
◊ |
A |
x,y,z |
1_555 |
24 |
5 |
2750 |
139.8 |
1.8 |
0.059 |
0 |
0 |
0 |
0.000 |
11 |
15 |
|
[C8E]C:102 |
16 |
1 |
545 |
◊ |
E |
x-1/2,-y+1/2,-z |
8_455 |
19 |
4 |
2642 |
135.0 |
-0.4 |
0.384 |
2 |
0 |
0 |
0.142 |
12 |
16 |
|
[C8E]C:102 |
15 |
1 |
545 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
2636 |
131.4 |
0.1 |
0.498 |
0 |
0 |
0 |
0.000 |
13 |
17 |
|
E |
14 |
4 |
2642 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
19 |
6 |
2669 |
126.7 |
-3.7 |
0.734 |
0 |
0 |
0 |
0.000 |
14 |
18 |
|
C |
16 |
4 |
2636 |
◊ |
[C8E]A:101 |
x-1/2,-y+1/2,-z |
8_455 |
10 |
1 |
407 |
104.4 |
1.9 |
0.096 |
0 |
0 |
0 |
0.000 |
15 |
19 |
|
[C8E]E:102 |
9 |
1 |
330 |
◊ |
[C8E]E:102 |
-x,y,-z-1/2 |
3_554 |
9 |
1 |
330 |
87.9 |
5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
20 |
|
[C8E]A:101 |
6 |
1 |
407 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
12 |
4 |
2661 |
87.7 |
2.4 |
0.382 |
0 |
0 |
0 |
0.000 |
17 |
21 |
|
D |
10 |
4 |
2669 |
◊ |
[C8E]A:102 |
x-1/2,-y+1/2,-z |
8_455 |
7 |
1 |
319 |
85.9 |
1.3 |
0.812 |
0 |
0 |
0 |
0.000 |
18 |
22 |
|
[C8E]C:102 |
8 |
1 |
545 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
2669 |
83.3 |
1.7 |
0.743 |
0 |
0 |
0 |
0.000 |
19 |
23 |
|
[C8E]C:102 |
7 |
1 |
545 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
8 |
4 |
2750 |
81.4 |
2.0 |
0.700 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
D |
9 |
3 |
2669 |
◊ |
[C8E]A:102 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
1 |
319 |
78.5 |
1.9 |
0.919 |
0 |
0 |
0 |
0.000 |
21 |
25 |
|
[C8E]B:101 |
7 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
2661 |
76.0 |
1.2 |
0.789 |
0 |
0 |
0 |
0.000 |
22 |
26 |
|
[C8E]C:101 |
7 |
1 |
331 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
2642 |
75.0 |
0.9 |
0.553 |
0 |
0 |
0 |
0.000 |
23 |
27 |
|
[C8E]E:102 |
8 |
1 |
330 |
◊ |
E |
x,y,z |
1_555 |
18 |
4 |
2642 |
74.9 |
1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[C8E]C:101 |
7 |
1 |
331 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
2750 |
74.4 |
1.0 |
0.561 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[C8E]E:102 |
9 |
1 |
330 |
◊ |
E |
-x,y,-z-1/2 |
3_554 |
18 |
4 |
2642 |
74.1 |
1.7 |
0.985 |
1 |
0 |
0 |
0.000 |
26 |
30 |
|
C |
14 |
5 |
2636 |
◊ |
E |
x-1/2,-y+1/2,-z |
8_455 |
6 |
2 |
2642 |
73.9 |
-0.2 |
0.926 |
0 |
0 |
0 |
0.000 |
27 |
31 |
|
[C8E]C:101 |
7 |
1 |
331 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
2661 |
73.6 |
0.7 |
0.520 |
0 |
0 |
0 |
0.000 |
28 |
32 |
|
[C8E]C:101 |
8 |
1 |
331 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
2636 |
72.3 |
0.8 |
0.539 |
0 |
0 |
0 |
0.000 |
29 |
33 |
|
D |
9 |
4 |
2669 |
◊ |
[C8E]B:101 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
296 |
70.4 |
1.5 |
0.878 |
0 |
0 |
0 |
0.000 |
30 |
34 |
|
[C8E]C:102 |
8 |
1 |
545 |
f |
B |
-x,y,-z+1/2 |
3_555 |
13 |
3 |
2661 |
69.0 |
-2.0 |
0.313 |
0 |
0 |
0 |
1.000 |
31 |
35 |
|
[C8E]E:101 |
7 |
1 |
298 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
2642 |
68.6 |
1.0 |
0.761 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[C8E]C:101 |
7 |
1 |
331 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
2669 |
67.9 |
0.9 |
0.599 |
0 |
0 |
0 |
0.000 |
33 |
37 |
|
[C8E]E:101 |
6 |
1 |
298 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
2661 |
66.2 |
0.8 |
0.746 |
0 |
0 |
0 |
0.000 |
34 |
38 |
|
[C8E]E:101 |
6 |
1 |
298 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
2750 |
65.1 |
0.8 |
0.694 |
0 |
0 |
0 |
0.000 |
35 |
39 |
|
C |
9 |
4 |
2636 |
◊ |
[C8E]A:102 |
x-1/2,-y+1/2,-z |
8_455 |
6 |
1 |
319 |
63.3 |
1.2 |
0.886 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[C8E]E:101 |
6 |
1 |
298 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
2636 |
63.1 |
0.8 |
0.766 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[C8E]E:101 |
7 |
1 |
298 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
2669 |
60.5 |
0.9 |
0.828 |
0 |
0 |
0 |
0.000 |
38 |
42 |
|
E |
8 |
4 |
2642 |
◊ |
[C8E]B:101 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
4 |
1 |
296 |
60.2 |
1.0 |
0.872 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[NH2]A:27 |
1 |
1 |
117 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
2750 |
56.7 |
0.7 |
0.961 |
0 |
0 |
0 |
0.000 |
40 |
44 |
|
C |
5 |
2 |
2636 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
13 |
3 |
2661 |
54.4 |
0.3 |
0.950 |
0 |
0 |
0 |
0.000 |
41 |
45 |
|
A |
11 |
2 |
2750 |
x |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
2750 |
51.5 |
0.8 |
0.949 |
0 |
0 |
0 |
0.000 |
42 |
46 |
|
D |
10 |
2 |
2669 |
◊ |
E |
x-1/2,-y+1/2,-z |
8_455 |
5 |
2 |
2642 |
49.8 |
-0.7 |
0.879 |
0 |
0 |
0 |
0.000 |
43 |
47 |
|
D |
5 |
2 |
2669 |
◊ |
C |
-x,y,-z-1/2 |
3_554 |
7 |
2 |
2636 |
49.5 |
0.8 |
0.946 |
0 |
0 |
0 |
0.000 |
44 |
48 |
|
A |
5 |
2 |
2750 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
8 |
4 |
2661 |
48.9 |
-1.4 |
0.759 |
0 |
0 |
0 |
0.000 |
45 |
49 |
|
[C8E]B:101 |
6 |
1 |
296 |
◊ |
[C8E]A:102 |
x,y,z |
1_555 |
7 |
1 |
319 |
46.8 |
3.1 |
1.000 |
0 |
0 |
0 |
0.000 |
46 |
50 |
|
[C8E]E:102 |
6 |
1 |
330 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
2669 |
44.9 |
0.9 |
0.863 |
0 |
0 |
0 |
0.000 |
47 |
51 |
|
[C8E]E:102 |
5 |
1 |
330 |
f |
D |
-x,y,-z-1/2 |
3_554 |
8 |
3 |
2669 |
43.7 |
0.8 |
0.837 |
0 |
0 |
0 |
0.000 |
48 |
52 |
|
D |
8 |
2 |
2669 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
6 |
2 |
2661 |
43.5 |
-0.1 |
0.914 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[C8E]B:101 |
6 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
2750 |
37.9 |
0.5 |
0.703 |
0 |
0 |
0 |
0.000 |
50 |
54 |
|
[C8E]A:102 |
5 |
1 |
319 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
2750 |
37.0 |
0.5 |
0.868 |
0 |
0 |
0 |
0.000 |
51 |
55 |
|
[C8E]C:102 |
3 |
1 |
545 |
◊ |
C |
-x,y,-z+1/2 |
3_555 |
7 |
2 |
2636 |
34.4 |
-1.4 |
0.346 |
0 |
0 |
0 |
0.020 |
52 |
56 |
|
[C8E]A:102 |
3 |
1 |
319 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
2661 |
28.6 |
0.4 |
0.686 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
E |
2 |
2 |
2642 |
◊ |
[NH2]A:27 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
117 |
24.2 |
0.0 |
0.774 |
0 |
0 |
0 |
0.000 |
58 |
|
D |
1 |
1 |
2669 |
◊ |
[NH2]A:27 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
117 |
3.3 |
-0.0 |
0.763 |
0 |
0 |
0 |
0.000 |
Average: |
13.7 |
0.0 |
0.769 |
0 |
0 |
0 |
0.000 |
54 |
59 |
|
D |
3 |
1 |
2669 |
◊ |
D |
x,-y,-z |
4_555 |
3 |
1 |
2669 |
22.8 |
-0.1 |
0.854 |
0 |
0 |
0 |
0.000 |
55 |
60 |
|
B |
3 |
1 |
2661 |
◊ |
[C8E]A:101 |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
407 |
14.0 |
0.5 |
0.219 |
0 |
0 |
0 |
0.000 |
56 |
61 |
|
[C8E]A:101 |
2 |
1 |
407 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
2642 |
10.1 |
0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
57 |
62 |
|
A |
1 |
1 |
2750 |
◊ |
A |
x,-y,-z |
4_555 |
1 |
1 |
2750 |
5.4 |
-0.2 |
0.525 |
0 |
0 |
0 |
0.000 |
63 |
|
D |
3 |
1 |
2669 |
◊ |
C |
x,-y,-z |
4_555 |
1 |
1 |
2636 |
3.1 |
0.0 |
0.892 |
0 |
0 |
0 |
0.000 |
Average: |
4.2 |
-0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
E |
1 |
1 |
2642 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
2636 |
3.9 |
-0.0 |
0.717 |
0 |
0 |
0 |
0.000 |
59 |
65 |
|
[C8E]A:101 |
1 |
1 |
407 |
f |
A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
2750 |
2.4 |
0.2 |
0.280 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
E |
1 |
1 |
2642 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2636 |
2.4 |
-0.1 |
0.611 |
0 |
0 |
0 |
0.002 |
67 |
|
E |
1 |
1 |
2642 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2661 |
1.7 |
-0.1 |
0.675 |
0 |
0 |
0 |
0.002 |
68 |
|
D |
1 |
1 |
2669 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
2750 |
0.3 |
-0.0 |
0.855 |
0 |
0 |
0 |
0.002 |
69 |
|
C |
1 |
1 |
2636 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
2750 |
0.2 |
-0.0 |
0.863 |
0 |
0 |
0 |
0.002 |
Average: |
1.1 |
-0.0 |
0.751 |
0 |
0 |
0 |
0.002 |
61 |
70 |
|
B |
1 |
1 |
2661 |
◊ |
A |
x-1/2,-y+1/2,-z |
8_455 |
2 |
1 |
2750 |
1.1 |
-0.0 |
0.881 |
0 |
0 |
0 |
0.000 |
|