## |
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 |
|
F |
56 |
11 |
1914 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
72 |
22 |
7769 |
594.1 |
-6.5 |
0.484 |
9 |
0 |
0 |
0.873 |
2 |
|
E |
55 |
11 |
1886 |
◊ |
A |
x,y,z |
1_555 |
71 |
22 |
7946 |
591.6 |
-6.6 |
0.472 |
9 |
0 |
0 |
0.873 |
Average: |
592.8 |
-6.5 |
0.478 |
9 |
0 |
0 |
0.873 |
2 |
3 |
|
E |
28 |
6 |
1886 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
43 |
15 |
6703 |
387.3 |
-7.8 |
0.157 |
1 |
1 |
0 |
0.865 |
4 |
|
F |
29 |
6 |
1914 |
◊ |
D |
x,y,z |
1_555 |
40 |
14 |
6644 |
376.7 |
-7.4 |
0.164 |
1 |
1 |
0 |
0.865 |
Average: |
382.0 |
-7.6 |
0.160 |
1 |
1 |
0 |
0.865 |
3 |
5 |
|
B |
37 |
11 |
7769 |
x |
B |
-x+2,y-1/2,-z+1 |
2_746 |
49 |
16 |
7769 |
375.0 |
-2.0 |
0.564 |
6 |
0 |
0 |
0.000 |
6 |
|
A |
35 |
10 |
7946 |
x |
A |
-x,y-1/2,-z |
2_545 |
50 |
16 |
7946 |
374.7 |
-1.9 |
0.598 |
5 |
0 |
0 |
0.000 |
Average: |
374.8 |
-2.0 |
0.581 |
6 |
0 |
0 |
0.000 |
4 |
7 |
|
A |
34 |
11 |
7946 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
31 |
10 |
6703 |
332.1 |
-4.5 |
0.246 |
3 |
0 |
0 |
0.244 |
8 |
|
D |
31 |
9 |
6644 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
12 |
7769 |
325.1 |
-4.7 |
0.213 |
4 |
0 |
0 |
0.244 |
Average: |
328.6 |
-4.6 |
0.230 |
4 |
0 |
0 |
0.244 |
5 |
9 |
|
D |
32 |
7 |
6644 |
◊ |
A |
x,y,z |
1_555 |
35 |
8 |
7946 |
313.4 |
-1.1 |
0.523 |
2 |
2 |
0 |
0.000 |
6 |
10 |
|
C |
35 |
7 |
6703 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
7769 |
274.6 |
-3.1 |
0.396 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
A |
32 |
7 |
7946 |
◊ |
C |
x,y-1,z |
1_545 |
19 |
6 |
6703 |
238.0 |
-1.6 |
0.511 |
1 |
2 |
0 |
0.000 |
12 |
|
D |
17 |
5 |
6644 |
◊ |
B |
x,y,z |
1_555 |
30 |
6 |
7769 |
235.4 |
-1.3 |
0.513 |
2 |
1 |
0 |
0.000 |
Average: |
236.7 |
-1.4 |
0.512 |
2 |
2 |
0 |
0.000 |
8 |
13 |
|
E |
26 |
6 |
1886 |
◊ |
C |
x,y,z |
1_555 |
28 |
8 |
6703 |
229.0 |
-3.2 |
0.433 |
4 |
0 |
0 |
0.000 |
14 |
|
D |
26 |
8 |
6644 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
5 |
1914 |
222.5 |
-3.2 |
0.432 |
4 |
0 |
0 |
0.000 |
Average: |
225.7 |
-3.2 |
0.432 |
4 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
30 |
8 |
7946 |
x |
A |
x,y-1,z |
1_545 |
19 |
4 |
7946 |
201.1 |
-1.9 |
0.380 |
3 |
0 |
0 |
0.000 |
16 |
|
B |
18 |
6 |
7769 |
x |
B |
x,y-1,z |
1_545 |
10 |
3 |
7769 |
140.3 |
-0.6 |
0.556 |
6 |
0 |
0 |
0.000 |
Average: |
170.7 |
-1.2 |
0.468 |
5 |
0 |
0 |
0.000 |
10 |
17 |
|
D |
22 |
6 |
6644 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
5 |
7769 |
181.3 |
3.2 |
0.905 |
1 |
0 |
0 |
0.000 |
18 |
|
A |
12 |
3 |
7946 |
◊ |
C |
x-1,y-1,z |
1_445 |
18 |
4 |
6703 |
126.6 |
0.5 |
0.670 |
1 |
0 |
0 |
0.000 |
Average: |
154.0 |
1.8 |
0.787 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
[ACE]E:0 |
3 |
1 |
171 |
cf |
E |
x,y,z |
1_555 |
5 |
4 |
1886 |
77.2 |
-1.4 |
0.679 |
1 |
0 |
0 |
0.192 |
12 |
20 |
|
[ACE]F:0 |
3 |
1 |
171 |
cf |
F |
x,y,z |
1_555 |
5 |
4 |
1914 |
74.2 |
-1.4 |
0.681 |
1 |
0 |
0 |
0.151 |
13 |
21 |
|
C |
8 |
3 |
6703 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
7946 |
70.8 |
-0.5 |
0.480 |
1 |
0 |
0 |
0.000 |
22 |
|
D |
10 |
3 |
6644 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
1 |
7769 |
68.3 |
-0.5 |
0.512 |
0 |
0 |
0 |
0.000 |
Average: |
69.6 |
-0.5 |
0.496 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[NH2]E:15 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
7 |
2 |
1886 |
44.9 |
0.5 |
0.806 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]F:15 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
6 |
2 |
1914 |
43.9 |
0.6 |
0.815 |
0 |
0 |
0 |
0.000 |
Average: |
44.4 |
0.6 |
0.811 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[NH2]E:15 |
1 |
1 |
117 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6703 |
37.6 |
0.1 |
0.633 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
5 |
2 |
6644 |
◊ |
[NH2]F:15 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
117 |
37.3 |
0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
Average: |
37.4 |
0.1 |
0.632 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[ACE]F:0 |
2 |
1 |
171 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
7769 |
19.0 |
-0.5 |
0.652 |
0 |
0 |
0 |
0.039 |
17 |
28 |
|
D |
5 |
2 |
6644 |
◊ |
[ACE]F:0 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
171 |
14.4 |
-0.3 |
0.708 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
[ACE]E:0 |
2 |
1 |
171 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
6703 |
12.6 |
-0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
19 |
30 |
|
[ACE]E:0 |
2 |
1 |
171 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
7946 |
11.1 |
-0.2 |
0.734 |
0 |
0 |
0 |
0.019 |
20 |
31 |
|
D |
1 |
1 |
6644 |
◊ |
C |
x-1,y-1,z |
1_445 |
1 |
1 |
6703 |
8.5 |
0.4 |
0.860 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[NH2]E:15 |
1 |
1 |
117 |
f |
[ACE]E:0 |
x,y,z |
1_555 |
2 |
1 |
171 |
7.9 |
0.0 |
0.943 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[NH2]F:15 |
1 |
1 |
117 |
f |
[ACE]F:0 |
x,y,z |
1_555 |
2 |
1 |
171 |
7.5 |
0.0 |
0.943 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[NH2]F:15 |
1 |
1 |
117 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
7769 |
3.4 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.003 |
35 |
|
[NH2]E:15 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7946 |
1.6 |
-0.0 |
0.697 |
0 |
0 |
0 |
0.003 |
Average: |
2.5 |
-0.0 |
0.668 |
0 |
0 |
0 |
0.003 |
|