| ## |
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 |
|
H |
117 |
32 |
6024 |
◊ |
G |
x,y,z |
1_555 |
104 |
28 |
6745 |
1112.6 |
-16.1 |
0.181 |
14 |
2 |
0 |
1.000 |
2 |
|
K |
122 |
32 |
5953 |
◊ |
J |
x,y,z |
1_555 |
104 |
29 |
6697 |
1105.1 |
-16.3 |
0.169 |
14 |
2 |
0 |
1.000 |
3 |
|
E |
119 |
31 |
6195 |
◊ |
D |
x,y,z |
1_555 |
106 |
29 |
6662 |
1102.1 |
-16.7 |
0.166 |
13 |
0 |
0 |
1.000 |
4 |
|
B |
121 |
31 |
5985 |
◊ |
A |
x,y,z |
1_555 |
104 |
28 |
6848 |
1094.6 |
-16.2 |
0.135 |
14 |
1 |
0 |
1.000 |
| Average: |
1103.6 |
-16.3 |
0.163 |
14 |
1 |
0 |
1.000 |
| 2 |
5 |
|
F |
105 |
29 |
8712 |
◊ |
E |
x,y,z |
1_555 |
120 |
28 |
6195 |
1028.0 |
-17.0 |
0.176 |
8 |
7 |
0 |
0.717 |
6 |
|
C |
98 |
30 |
8771 |
◊ |
B |
x,y,z |
1_555 |
114 |
27 |
5985 |
1018.9 |
-17.6 |
0.113 |
7 |
7 |
0 |
0.717 |
7 |
|
I |
98 |
27 |
8893 |
◊ |
H |
x,y,z |
1_555 |
111 |
27 |
6024 |
1001.1 |
-16.9 |
0.115 |
8 |
7 |
0 |
0.717 |
8 |
|
L |
105 |
29 |
8781 |
◊ |
K |
x,y,z |
1_555 |
109 |
25 |
5953 |
983.1 |
-17.2 |
0.122 |
8 |
7 |
0 |
0.717 |
| Average: |
1007.8 |
-17.2 |
0.131 |
8 |
7 |
0 |
0.717 |
| 3 |
9 |
|
I |
67 |
21 |
8893 |
◊ |
I |
x,-y,-z+1/2 |
6_555 |
67 |
21 |
8893 |
629.9 |
0.3 |
0.841 |
6 |
4 |
0 |
0.000 |
| 4 |
10 |
|
L |
65 |
21 |
8781 |
◊ |
L |
x,-y+1,-z+1/2 |
6_565 |
65 |
21 |
8781 |
613.0 |
0.1 |
0.857 |
10 |
6 |
0 |
0.000 |
11 |
|
F |
45 |
15 |
8712 |
◊ |
F |
x,-y,-z+1/2 |
6_555 |
45 |
15 |
8712 |
473.9 |
-0.1 |
0.847 |
2 |
6 |
0 |
0.000 |
12 |
|
C |
39 |
14 |
8771 |
◊ |
C |
x,-y+1,-z+1/2 |
6_565 |
39 |
14 |
8771 |
428.6 |
-2.1 |
0.641 |
2 |
4 |
0 |
0.000 |
| Average: |
505.2 |
-0.7 |
0.782 |
5 |
5 |
0 |
0.000 |
| 5 |
13 |
|
L |
50 |
14 |
8781 |
◊ |
B |
x-1,y,z |
1_455 |
50 |
12 |
5985 |
511.5 |
-4.0 |
0.537 |
1 |
2 |
0 |
0.000 |
14 |
|
I |
48 |
14 |
8893 |
◊ |
E |
x-1,y,z |
1_455 |
52 |
12 |
6195 |
508.8 |
-3.5 |
0.578 |
3 |
3 |
0 |
0.000 |
| Average: |
510.1 |
-3.8 |
0.558 |
2 |
3 |
0 |
0.000 |
| 6 |
15 |
|
A |
45 |
12 |
6848 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
45 |
12 |
6848 |
500.5 |
1.5 |
0.849 |
8 |
0 |
0 |
0.000 |
16 |
|
J |
43 |
12 |
6697 |
◊ |
D |
-y,-x+1,-z+1/4 |
8_565 |
42 |
12 |
6662 |
486.1 |
1.8 |
0.877 |
8 |
0 |
0 |
0.000 |
| Average: |
493.3 |
1.7 |
0.863 |
8 |
0 |
0 |
0.000 |
| 7 |
17 |
|
C |
54 |
17 |
8771 |
◊ |
K |
x,y,z |
1_555 |
55 |
13 |
5953 |
478.9 |
-5.6 |
0.452 |
3 |
6 |
0 |
0.000 |
18 |
|
F |
52 |
16 |
8712 |
◊ |
H |
x,y,z |
1_555 |
49 |
14 |
6024 |
458.9 |
-5.2 |
0.492 |
4 |
6 |
0 |
0.000 |
| Average: |
468.9 |
-5.4 |
0.472 |
4 |
6 |
0 |
0.000 |
| 8 |
19 |
|
G |
45 |
12 |
6745 |
◊ |
G |
-y,-x,-z+1/4 |
8_555 |
45 |
12 |
6745 |
477.8 |
2.4 |
0.896 |
10 |
0 |
0 |
0.000 |
| 9 |
20 |
|
[6Z3]C:301 |
32 |
1 |
779 |
f |
C |
x,y,z |
1_555 |
66 |
19 |
8771 |
435.8 |
-7.5 |
0.583 |
5 |
0 |
0 |
0.310 |
21 |
|
[6Z3]I:301 |
32 |
1 |
783 |
f |
I |
x,y,z |
1_555 |
59 |
17 |
8893 |
435.4 |
-7.0 |
0.576 |
4 |
0 |
0 |
0.310 |
22 |
|
[6Z3]L:301 |
32 |
1 |
777 |
f |
L |
x,y,z |
1_555 |
60 |
17 |
8781 |
435.2 |
-6.8 |
0.620 |
4 |
0 |
0 |
0.310 |
23 |
|
[6Z3]F:301 |
32 |
1 |
783 |
f |
F |
x,y,z |
1_555 |
58 |
18 |
8712 |
429.8 |
-6.6 |
0.682 |
5 |
0 |
0 |
0.310 |
| Average: |
434.0 |
-7.0 |
0.615 |
5 |
0 |
0 |
0.310 |
| 10 |
24 |
|
L |
29 |
11 |
8781 |
◊ |
I |
x,-y+1,-z+1/2 |
6_565 |
26 |
8 |
8893 |
276.3 |
-2.3 |
0.501 |
2 |
2 |
0 |
0.000 |
25 |
|
F |
24 |
8 |
8712 |
◊ |
C |
x,-y+1,-z+1/2 |
6_565 |
28 |
11 |
8771 |
274.8 |
-1.7 |
0.605 |
2 |
1 |
0 |
0.000 |
| Average: |
275.6 |
-2.0 |
0.553 |
2 |
2 |
0 |
0.000 |
| 11 |
26 |
|
J |
21 |
8 |
6697 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
28 |
8 |
6848 |
231.1 |
2.6 |
0.853 |
5 |
8 |
0 |
0.000 |
27 |
|
J |
27 |
8 |
6697 |
◊ |
G |
-y,-x+1,-z+1/4 |
8_565 |
22 |
8 |
6745 |
205.9 |
1.6 |
0.843 |
5 |
6 |
0 |
0.000 |
| Average: |
218.5 |
2.1 |
0.848 |
5 |
7 |
0 |
0.000 |
| 12 |
28 |
|
C |
22 |
7 |
8771 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
6848 |
181.8 |
-4.4 |
0.122 |
0 |
0 |
0 |
0.083 |
29 |
|
I |
25 |
8 |
8893 |
◊ |
G |
x,y,z |
1_555 |
15 |
4 |
6745 |
180.7 |
-4.8 |
0.111 |
0 |
0 |
0 |
0.083 |
30 |
|
L |
17 |
7 |
8781 |
◊ |
J |
x,y,z |
1_555 |
16 |
4 |
6697 |
171.0 |
-4.2 |
0.135 |
0 |
0 |
0 |
0.083 |
31 |
|
F |
19 |
7 |
8712 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
6662 |
160.4 |
-4.3 |
0.108 |
0 |
0 |
0 |
0.083 |
| Average: |
173.4 |
-4.4 |
0.119 |
0 |
0 |
0 |
0.083 |
| 13 |
32 |
|
D |
9 |
3 |
6662 |
◊ |
B |
x,y-1,z |
1_545 |
8 |
3 |
5985 |
81.7 |
0.0 |
0.577 |
1 |
3 |
0 |
0.000 |
| 14 |
33 |
|
G |
6 |
3 |
6745 |
◊ |
K |
x,y-1,z |
1_545 |
6 |
4 |
5953 |
79.6 |
-0.6 |
0.507 |
1 |
1 |
0 |
0.000 |
| 15 |
34 |
|
[6Z3]F:301 |
8 |
1 |
783 |
◊ |
I |
x,-y,-z+1/2 |
6_555 |
7 |
2 |
8893 |
79.4 |
0.8 |
0.869 |
0 |
0 |
0 |
0.000 |
35 |
|
[6Z3]C:301 |
5 |
1 |
779 |
◊ |
L |
x,-y+1,-z+1/2 |
6_565 |
7 |
2 |
8781 |
69.0 |
0.1 |
0.773 |
0 |
0 |
0 |
0.000 |
36 |
|
[6Z3]L:301 |
5 |
1 |
777 |
◊ |
C |
x-1,-y+1,-z+1/2 |
6_465 |
4 |
1 |
8771 |
52.2 |
0.8 |
0.824 |
0 |
0 |
0 |
0.000 |
37 |
|
[6Z3]I:301 |
5 |
1 |
783 |
◊ |
F |
x-1,-y,-z+1/2 |
6_455 |
5 |
1 |
8712 |
49.8 |
0.6 |
0.812 |
0 |
0 |
0 |
0.000 |
| Average: |
62.6 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
| 16 |
38 |
|
E |
6 |
2 |
6195 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
6848 |
73.6 |
1.2 |
0.756 |
1 |
1 |
0 |
0.000 |
| 17 |
39 |
|
L |
5 |
1 |
8781 |
◊ |
C |
x-1,-y+1,-z+1/2 |
6_465 |
6 |
1 |
8771 |
52.6 |
1.2 |
0.856 |
0 |
0 |
0 |
0.000 |
40 |
|
L |
7 |
3 |
8781 |
◊ |
C |
x,-y+1,-z+1/2 |
6_565 |
2 |
1 |
8771 |
35.8 |
0.9 |
0.805 |
1 |
0 |
0 |
0.000 |
41 |
|
I |
2 |
1 |
8893 |
◊ |
F |
x,-y,-z+1/2 |
6_555 |
4 |
2 |
8712 |
26.2 |
0.6 |
0.691 |
0 |
0 |
0 |
0.000 |
42 |
|
I |
2 |
1 |
8893 |
◊ |
F |
x-1,-y,-z+1/2 |
6_455 |
2 |
1 |
8712 |
14.5 |
0.2 |
0.578 |
0 |
0 |
0 |
0.000 |
| Average: |
32.3 |
0.7 |
0.733 |
0 |
0 |
0 |
0.000 |
| 18 |
43 |
|
E |
4 |
2 |
6195 |
◊ |
D |
-y+1,-x+1,-z+1/4 |
8_665 |
6 |
2 |
6662 |
39.7 |
-1.1 |
0.319 |
0 |
0 |
0 |
0.000 |
| 19 |
44 |
|
H |
3 |
1 |
6024 |
◊ |
E |
x-1,y,z |
1_455 |
3 |
1 |
6195 |
39.1 |
1.3 |
0.917 |
2 |
4 |
0 |
0.000 |
45 |
|
K |
3 |
1 |
5953 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
5985 |
37.4 |
1.2 |
0.919 |
1 |
4 |
0 |
0.000 |
| Average: |
38.3 |
1.2 |
0.918 |
2 |
4 |
0 |
0.000 |
| 20 |
46 |
|
L |
6 |
2 |
8781 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
8771 |
39.0 |
-0.8 |
0.221 |
0 |
0 |
0 |
0.000 |
47 |
|
I |
6 |
2 |
8893 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
2 |
8712 |
35.1 |
-0.8 |
0.261 |
0 |
0 |
0 |
0.000 |
48 |
|
L |
2 |
2 |
8781 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
8771 |
24.3 |
-0.6 |
0.319 |
0 |
0 |
0 |
0.000 |
| Average: |
32.8 |
-0.7 |
0.267 |
0 |
0 |
0 |
0.000 |
| 21 |
49 |
|
[6Z3]L:301 |
4 |
1 |
777 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
3 |
8771 |
35.7 |
-1.1 |
0.489 |
0 |
0 |
0 |
0.000 |
50 |
|
[6Z3]C:301 |
2 |
1 |
779 |
◊ |
L |
x,y,z |
1_555 |
4 |
3 |
8781 |
34.6 |
-1.1 |
0.321 |
0 |
0 |
0 |
0.000 |
51 |
|
[6Z3]I:301 |
2 |
1 |
783 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
3 |
8712 |
32.5 |
-1.0 |
0.431 |
0 |
0 |
0 |
0.000 |
52 |
|
[6Z3]F:301 |
1 |
1 |
783 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
8893 |
2.4 |
-0.1 |
0.560 |
0 |
0 |
0 |
0.000 |
| Average: |
26.3 |
-0.8 |
0.450 |
0 |
0 |
0 |
0.000 |
| 22 |
53 |
|
K |
3 |
3 |
5953 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
5 |
3 |
6848 |
21.8 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
54 |
|
J |
6 |
3 |
6697 |
◊ |
H |
-y,-x+1,-z+1/4 |
8_565 |
3 |
3 |
6024 |
20.0 |
-0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
| Average: |
20.9 |
-0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
| 23 |
55 |
|
K |
1 |
1 |
5953 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5985 |
12.3 |
0.3 |
0.810 |
0 |
0 |
0 |
0.000 |
56 |
|
H |
1 |
1 |
6024 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
6195 |
11.3 |
0.3 |
0.807 |
0 |
0 |
0 |
0.000 |
| Average: |
11.8 |
0.3 |
0.809 |
0 |
0 |
0 |
0.000 |
| 24 |
57 |
|
D |
1 |
1 |
6662 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
2 |
1 |
6848 |
7.8 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
| 25 |
58 |
|
I |
1 |
1 |
8893 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
8771 |
6.6 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
| 26 |
59 |
|
D |
2 |
2 |
6662 |
◊ |
D |
-y+1,-x+1,-z+1/4 |
8_665 |
2 |
2 |
6662 |
0.9 |
-0.0 |
0.641 |
0 |
0 |
0 |
0.000 |
|