| ## |
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 |
227 |
59 |
15078 |
◊ |
C |
x,y,z |
1_555 |
225 |
54 |
15223 |
2076.1 |
-17.2 |
0.376 |
33 |
14 |
0 |
0.808 |
2 |
|
B |
226 |
56 |
15331 |
◊ |
A |
x,y,z |
1_555 |
232 |
57 |
15297 |
2075.5 |
-19.1 |
0.291 |
31 |
13 |
0 |
0.808 |
| Average: |
2075.8 |
-18.1 |
0.333 |
32 |
14 |
0 |
0.808 |
| 2 |
3 |
|
D |
119 |
28 |
15078 |
◊ |
B |
x,y,z |
1_555 |
119 |
29 |
15331 |
1026.8 |
-5.4 |
0.584 |
26 |
5 |
0 |
0.747 |
4 |
|
C |
118 |
28 |
15223 |
◊ |
A |
x,y,z |
1_555 |
114 |
28 |
15297 |
1012.0 |
-3.9 |
0.688 |
23 |
4 |
0 |
0.747 |
| Average: |
1019.4 |
-4.6 |
0.636 |
25 |
5 |
0 |
0.747 |
| 3 |
5 |
|
B |
35 |
13 |
15331 |
x |
B |
-x,y-1/2,-z |
2_545 |
37 |
11 |
15331 |
295.1 |
-0.7 |
0.597 |
3 |
0 |
0 |
0.000 |
| 4 |
6 |
|
B |
34 |
12 |
15331 |
◊ |
D |
x-1,y,z |
1_455 |
31 |
12 |
15078 |
290.9 |
0.2 |
0.702 |
2 |
2 |
0 |
0.000 |
| 5 |
7 |
|
D |
25 |
8 |
15078 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
34 |
12 |
15331 |
276.0 |
-0.9 |
0.417 |
6 |
0 |
0 |
0.000 |
| 6 |
8 |
|
A |
31 |
8 |
15297 |
◊ |
D |
x-1,y+1,z |
1_465 |
33 |
10 |
15078 |
270.3 |
-0.5 |
0.638 |
3 |
2 |
0 |
0.000 |
| 7 |
9 |
|
C |
28 |
10 |
15223 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
31 |
13 |
15223 |
250.3 |
-0.7 |
0.639 |
2 |
1 |
0 |
0.000 |
| 8 |
10 |
|
[TAM]C:1600 |
10 |
1 |
357 |
f |
C |
x,y,z |
1_555 |
32 |
16 |
15223 |
243.1 |
1.3 |
0.436 |
4 |
0 |
0 |
0.018 |
| 9 |
11 |
|
[TAM]D:1400 |
10 |
1 |
329 |
f |
D |
x,y,z |
1_555 |
33 |
16 |
15078 |
235.3 |
1.4 |
0.476 |
2 |
0 |
0 |
0.000 |
| 10 |
12 |
|
[C2F]C:1410 |
22 |
1 |
669 |
◊ |
C |
x,y,z |
1_555 |
33 |
10 |
15223 |
215.8 |
1.2 |
0.668 |
0 |
0 |
0 |
0.000 |
| 11 |
13 |
|
[TAM]A:1500 |
10 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
28 |
14 |
15297 |
212.3 |
0.4 |
0.403 |
4 |
0 |
0 |
0.054 |
| 12 |
14 |
|
[C2F]C:1410 |
22 |
1 |
669 |
f |
C |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
8 |
15223 |
210.7 |
-3.2 |
0.211 |
4 |
0 |
0 |
0.198 |
| 13 |
15 |
|
[C2F]D:1200 |
21 |
1 |
686 |
◊ |
C |
x,y,z |
1_555 |
22 |
10 |
15223 |
191.0 |
0.6 |
0.524 |
2 |
0 |
0 |
0.015 |
16 |
|
[C2F]A:1100 |
20 |
1 |
684 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
15331 |
187.3 |
0.5 |
0.504 |
2 |
0 |
0 |
0.015 |
| Average: |
189.1 |
0.6 |
0.514 |
2 |
0 |
0 |
0.015 |
| 14 |
17 |
|
A |
22 |
8 |
15297 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
6 |
15223 |
171.1 |
-2.1 |
0.316 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[C2F]B:1700 |
15 |
1 |
689 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
20 |
7 |
15297 |
163.0 |
-1.3 |
0.370 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
C |
16 |
7 |
15223 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
15331 |
162.5 |
-3.4 |
0.125 |
0 |
0 |
0 |
0.047 |
20 |
|
D |
17 |
8 |
15078 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
15297 |
132.9 |
-2.9 |
0.216 |
0 |
0 |
0 |
0.047 |
| Average: |
147.7 |
-3.1 |
0.170 |
0 |
0 |
0 |
0.047 |
| 17 |
21 |
|
[C2F]B:1700 |
17 |
1 |
689 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
15331 |
160.6 |
-0.6 |
0.428 |
3 |
0 |
0 |
0.083 |
| 18 |
22 |
|
[C2F]A:1100 |
24 |
1 |
684 |
◊ |
A |
x,y,z |
1_555 |
17 |
4 |
15297 |
146.8 |
-1.8 |
0.207 |
0 |
0 |
0 |
0.024 |
23 |
|
[C2F]D:1200 |
22 |
1 |
686 |
◊ |
D |
x,y,z |
1_555 |
18 |
4 |
15078 |
142.8 |
-1.5 |
0.252 |
0 |
0 |
0 |
0.024 |
| Average: |
144.8 |
-1.6 |
0.229 |
0 |
0 |
0 |
0.024 |
| 19 |
24 |
|
[C2F]A:1100 |
19 |
1 |
684 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
15078 |
136.8 |
-1.6 |
0.225 |
1 |
0 |
0 |
0.086 |
25 |
|
[C2F]D:1200 |
19 |
1 |
686 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
15297 |
134.1 |
-1.2 |
0.259 |
1 |
0 |
0 |
0.086 |
| Average: |
135.4 |
-1.4 |
0.242 |
1 |
0 |
0 |
0.086 |
| 20 |
26 |
|
[C2F]A:1100 |
15 |
1 |
684 |
◊ |
C |
x,y,z |
1_555 |
17 |
4 |
15223 |
135.0 |
-1.9 |
0.201 |
0 |
0 |
0 |
0.044 |
27 |
|
[C2F]D:1200 |
15 |
1 |
686 |
◊ |
B |
x,y,z |
1_555 |
16 |
4 |
15331 |
134.7 |
-1.7 |
0.225 |
0 |
0 |
0 |
0.044 |
| Average: |
134.8 |
-1.8 |
0.213 |
0 |
0 |
0 |
0.044 |
| 21 |
28 |
|
B |
13 |
5 |
15331 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
18 |
6 |
15297 |
109.3 |
-0.9 |
0.534 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
D |
12 |
7 |
15078 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
10 |
5 |
15331 |
103.1 |
1.3 |
0.818 |
1 |
0 |
0 |
0.000 |
| 23 |
30 |
|
D |
12 |
2 |
15078 |
◊ |
[C2F]B:1700 |
-x+1,y-1/2,-z |
2_645 |
11 |
1 |
689 |
102.1 |
-0.5 |
0.455 |
0 |
0 |
0 |
0.000 |
| 24 |
31 |
|
D |
13 |
4 |
15078 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
15223 |
100.1 |
0.6 |
0.766 |
2 |
0 |
0 |
0.000 |
| 25 |
32 |
|
C |
15 |
7 |
15223 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
8 |
4 |
15297 |
97.9 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
| 26 |
33 |
|
D |
9 |
2 |
15078 |
◊ |
A |
x,y-1,z |
1_545 |
19 |
7 |
15297 |
93.9 |
-2.3 |
0.207 |
0 |
0 |
0 |
0.000 |
| 27 |
34 |
|
[TAM]A:1500 |
7 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
15331 |
77.5 |
0.5 |
0.465 |
1 |
0 |
0 |
0.000 |
| 28 |
35 |
|
[ACE]D:300 |
3 |
1 |
173 |
cf |
D |
x,y,z |
1_555 |
10 |
4 |
15078 |
72.4 |
-0.3 |
0.808 |
2 |
0 |
0 |
0.052 |
| 29 |
36 |
|
[ACE]A:300 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
15297 |
72.3 |
-0.2 |
0.822 |
1 |
0 |
0 |
0.024 |
| 30 |
37 |
|
[TAM]C:1600 |
6 |
1 |
357 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
15078 |
70.1 |
1.6 |
0.543 |
2 |
0 |
0 |
0.000 |
| 31 |
38 |
|
[ACE]B:300 |
3 |
1 |
172 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
15331 |
68.0 |
-0.3 |
0.795 |
1 |
0 |
0 |
0.031 |
| 32 |
39 |
|
[ACE]C:300 |
3 |
1 |
174 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
15223 |
65.9 |
-0.3 |
0.798 |
1 |
0 |
0 |
0.030 |
| 33 |
40 |
|
[TAM]D:1400 |
3 |
1 |
329 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
15223 |
51.5 |
1.7 |
0.645 |
0 |
0 |
0 |
0.000 |
| 34 |
41 |
|
[ACE]A:300 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
15078 |
49.9 |
-1.4 |
0.398 |
0 |
0 |
0 |
0.011 |
| 35 |
42 |
|
[ACE]C:300 |
3 |
1 |
174 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
15331 |
47.8 |
-1.3 |
0.333 |
0 |
0 |
0 |
0.010 |
| 36 |
43 |
|
[ACE]B:300 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
15223 |
46.5 |
-1.0 |
0.554 |
0 |
0 |
0 |
0.008 |
| 37 |
44 |
|
[ACE]D:300 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15297 |
44.7 |
-1.1 |
0.532 |
0 |
0 |
0 |
0.008 |
| 38 |
45 |
|
[C2F]A:1100 |
5 |
1 |
684 |
◊ |
[ACE]C:300 |
x,y,z |
1_555 |
2 |
1 |
174 |
23.7 |
-0.2 |
0.568 |
0 |
0 |
0 |
0.004 |
| 39 |
46 |
|
[C2F]D:1200 |
4 |
1 |
686 |
◊ |
[ACE]B:300 |
x,y,z |
1_555 |
2 |
1 |
172 |
23.5 |
-0.3 |
0.534 |
0 |
0 |
0 |
0.007 |
| 40 |
47 |
|
[ACE]C:300 |
2 |
1 |
174 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
15297 |
22.4 |
0.1 |
0.582 |
1 |
0 |
0 |
0.013 |
| 41 |
48 |
|
[ACE]D:300 |
2 |
1 |
173 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15331 |
22.3 |
0.2 |
0.665 |
1 |
0 |
0 |
0.011 |
| 42 |
49 |
|
[ACE]A:300 |
2 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
15223 |
20.8 |
0.1 |
0.592 |
0 |
0 |
0 |
0.000 |
| 43 |
50 |
|
[ACE]B:300 |
2 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
15078 |
19.9 |
0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
| 44 |
51 |
|
D |
2 |
1 |
15078 |
x |
D |
x-1,y,z |
1_455 |
2 |
1 |
15078 |
14.7 |
-0.1 |
0.486 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[C2F]D:1200 |
3 |
1 |
686 |
◊ |
[ACE]D:300 |
x,y,z |
1_555 |
1 |
1 |
173 |
10.1 |
0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[C2F]A:1100 |
3 |
1 |
684 |
◊ |
[ACE]A:300 |
x,y,z |
1_555 |
1 |
1 |
172 |
8.6 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
|