| ## |
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 |
|
C |
37 |
5 |
1548 |
x |
C |
-y-1/2,x-1/2,z |
3_445 |
33 |
6 |
1548 |
249.7 |
-9.1 |
0.399 |
0 |
0 |
0 |
0.016 |
| 2 |
2 |
|
A |
29 |
5 |
1623 |
x |
A |
-y-1/2,x-1/2,z |
3_445 |
30 |
5 |
1623 |
229.2 |
-6.9 |
0.478 |
0 |
0 |
0 |
0.012 |
| 3 |
3 |
|
C |
38 |
4 |
1548 |
◊ |
A |
x,y,z |
1_555 |
37 |
4 |
1623 |
214.1 |
0.6 |
0.940 |
1 |
0 |
0 |
0.000 |
| 4 |
4 |
|
A |
13 |
3 |
1623 |
◊ |
A |
-y-1,-x-1,-z-1 |
8_444 |
13 |
3 |
1623 |
100.7 |
-1.5 |
0.694 |
0 |
0 |
0 |
0.000 |
| 5 |
5 |
|
A |
13 |
2 |
1623 |
◊ |
C |
-y-1/2,x-1/2,z |
3_445 |
15 |
2 |
1548 |
95.1 |
-1.8 |
0.669 |
0 |
0 |
0 |
0.003 |
| 6 |
6 |
|
[BA]A:106 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
1623 |
88.4 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.381 |
7 |
|
[BA]C:105 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
3 |
1548 |
76.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.381 |
| Average: |
82.3 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.381 |
| 7 |
8 |
|
[K]C:104 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
9 |
3 |
1548 |
72.4 |
-43.8 |
0.000 |
0 |
0 |
0 |
0.152 |
9 |
|
[K]A:104 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
7 |
3 |
1623 |
70.1 |
-43.1 |
0.000 |
0 |
0 |
0 |
0.152 |
| Average: |
71.3 |
-43.5 |
0.000 |
0 |
0 |
0 |
0.152 |
| 8 |
10 |
|
[K]A:103 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
10 |
4 |
1623 |
72.0 |
-44.5 |
0.000 |
0 |
0 |
0 |
0.152 |
11 |
|
[K]C:103 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
9 |
4 |
1548 |
68.3 |
-42.7 |
0.000 |
0 |
0 |
0 |
0.152 |
| Average: |
70.2 |
-43.6 |
0.000 |
0 |
0 |
0 |
0.152 |
| 9 |
12 |
|
[K]A:102 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
15 |
4 |
1623 |
70.6 |
-40.1 |
0.000 |
0 |
0 |
0 |
0.140 |
13 |
|
[K]C:102 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
13 |
4 |
1548 |
64.4 |
-40.2 |
0.000 |
0 |
0 |
0 |
0.140 |
| Average: |
67.5 |
-40.2 |
0.000 |
0 |
0 |
0 |
0.140 |
| 10 |
14 |
|
[K]A:105 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
14 |
3 |
1623 |
60.0 |
-35.1 |
0.000 |
0 |
0 |
0 |
0.061 |
| 11 |
15 |
|
[K]A:104 |
1 |
1 |
216 |
f |
[K]A:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
59.5 |
-59.5 |
0.000 |
0 |
0 |
0 |
0.026 |
| 12 |
16 |
|
[K]C:104 |
1 |
1 |
216 |
f |
[K]C:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
59.0 |
-59.0 |
0.000 |
0 |
0 |
0 |
0.026 |
| 13 |
17 |
|
[K]C:101 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
13 |
3 |
1548 |
58.0 |
-34.8 |
0.000 |
0 |
0 |
0 |
0.061 |
| 14 |
18 |
|
[K]A:103 |
1 |
1 |
216 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
55.3 |
-55.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 15 |
19 |
|
[K]A:105 |
1 |
1 |
216 |
f |
[K]A:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.8 |
-54.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 16 |
20 |
|
[K]C:103 |
1 |
1 |
216 |
f |
[K]C:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
54.6 |
-54.6 |
0.000 |
0 |
0 |
0 |
0.024 |
| 17 |
21 |
|
C |
7 |
1 |
1548 |
◊ |
A |
y+1,x-1,-z |
7_645 |
6 |
1 |
1623 |
52.6 |
-0.9 |
0.627 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[K]C:102 |
1 |
1 |
216 |
f |
[K]C:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
50.4 |
-50.4 |
0.000 |
0 |
0 |
0 |
0.022 |
| 19 |
23 |
|
[BA]A:106 |
1 |
1 |
216 |
◊ |
A |
-y-1/2,x-1/2,z |
3_445 |
9 |
2 |
1623 |
50.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.011 |
24 |
|
C |
6 |
1 |
1548 |
◊ |
[BA]C:105 |
-y-1/2,x-1/2,z |
3_445 |
1 |
1 |
216 |
42.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.011 |
| Average: |
46.1 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.011 |
| 20 |
25 |
|
[K]A:105 |
1 |
1 |
216 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
50.2 |
-50.2 |
0.000 |
0 |
0 |
0 |
0.022 |
| 21 |
26 |
|
C |
7 |
4 |
1548 |
◊ |
C |
y+1,x-1,-z |
7_645 |
7 |
4 |
1548 |
50.0 |
-3.6 |
0.347 |
0 |
0 |
0 |
0.103 |
| 22 |
27 |
|
[K]C:101 |
1 |
1 |
216 |
f |
[K]A:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
48.2 |
-48.2 |
0.000 |
0 |
0 |
0 |
0.021 |
| 23 |
28 |
|
C |
3 |
1 |
1548 |
f |
[BA]A:107 |
x-1/2,-y-1/2,-z-1 |
6_444 |
1 |
1 |
216 |
47.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.231 |
| 24 |
29 |
|
A |
7 |
2 |
1623 |
◊ |
[BA]A:107 |
y,x-1,-z-1 |
7_544 |
1 |
1 |
216 |
47.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 25 |
30 |
|
[BA]C:105 |
1 |
1 |
216 |
◊ |
A |
y+1,x-1,-z |
7_645 |
3 |
1 |
1623 |
42.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[BA]C:105 |
1 |
1 |
216 |
◊ |
C |
y+1,x-1,-z |
7_645 |
6 |
3 |
1548 |
41.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.204 |
| 27 |
32 |
|
[K]A:101 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
7 |
2 |
1623 |
39.4 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.038 |
| 28 |
33 |
|
[K]A:101 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
10 |
2 |
1548 |
38.4 |
-20.7 |
0.000 |
0 |
0 |
0 |
0.036 |
| 29 |
34 |
|
A |
8 |
5 |
1623 |
◊ |
A |
-x,-y-1,z |
2_545 |
8 |
5 |
1623 |
37.8 |
-4.1 |
0.344 |
0 |
0 |
0 |
0.004 |
| 30 |
35 |
|
C |
7 |
5 |
1548 |
◊ |
C |
-x,-y-1,z |
2_545 |
7 |
5 |
1548 |
37.8 |
-4.2 |
0.275 |
0 |
0 |
0 |
0.004 |
| 31 |
36 |
|
[BA]C:105 |
1 |
1 |
216 |
◊ |
[BA]C:105 |
y+1,x-1,-z |
7_645 |
1 |
1 |
216 |
28.3 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.082 |
| 32 |
37 |
|
A |
5 |
1 |
1623 |
◊ |
C |
-x+1/2,y-1/2,-z |
5_545 |
4 |
2 |
1548 |
24.5 |
-1.9 |
0.441 |
0 |
0 |
0 |
0.000 |
| 33 |
38 |
|
[K]C:104 |
1 |
1 |
216 |
f |
[K]C:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
21.9 |
-21.9 |
0.000 |
0 |
0 |
0 |
0.010 |
| 34 |
39 |
|
C |
5 |
1 |
1548 |
◊ |
A |
-y-1/2,x-1/2,z |
3_445 |
5 |
1 |
1623 |
21.2 |
0.5 |
0.740 |
0 |
0 |
0 |
0.000 |
| 35 |
40 |
|
[K]C:103 |
1 |
1 |
216 |
f |
[K]C:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
20.3 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.009 |
| 36 |
41 |
|
[K]A:102 |
1 |
1 |
216 |
f |
[K]A:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
19.4 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.008 |
| 37 |
42 |
|
[K]C:101 |
1 |
1 |
216 |
f |
[K]A:105 |
x,y,z |
1_555 |
1 |
1 |
216 |
18.5 |
-18.5 |
0.000 |
0 |
0 |
0 |
0.008 |
| 38 |
43 |
|
C |
1 |
1 |
1548 |
x |
C |
-x+1/2,y-1/2,-z |
5_545 |
5 |
2 |
1548 |
17.1 |
-1.5 |
0.325 |
0 |
0 |
0 |
0.000 |
| 39 |
44 |
|
[K]A:104 |
1 |
1 |
216 |
f |
[K]A:102 |
x,y,z |
1_555 |
1 |
1 |
216 |
16.7 |
-16.7 |
0.000 |
0 |
0 |
0 |
0.007 |
| 40 |
45 |
|
[K]A:105 |
1 |
1 |
216 |
f |
[K]A:103 |
x,y,z |
1_555 |
1 |
1 |
216 |
15.4 |
-15.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| 41 |
46 |
|
[K]C:101 |
1 |
1 |
216 |
x |
A |
x,y,z |
1_555 |
3 |
1 |
1623 |
14.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.015 |
| 42 |
47 |
|
[K]A:105 |
1 |
1 |
216 |
x |
C |
x,y,z |
1_555 |
5 |
1 |
1548 |
14.7 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 43 |
48 |
|
[K]C:102 |
1 |
1 |
216 |
f |
[K]A:101 |
x,y,z |
1_555 |
1 |
1 |
216 |
14.7 |
-14.7 |
0.000 |
0 |
0 |
0 |
0.006 |
| 44 |
49 |
|
A |
2 |
1 |
1623 |
◊ |
[BA]A:107 |
x-1/2,-y-1/2,-z-1 |
6_444 |
1 |
1 |
216 |
9.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
50 |
|
[BA]A:106 |
1 |
1 |
216 |
◊ |
A |
-y-1,-x-1,-z-1 |
8_444 |
1 |
1 |
1623 |
5.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 46 |
51 |
|
C |
1 |
1 |
1548 |
◊ |
C |
-y,-x,-z |
8_555 |
1 |
1 |
1548 |
2.3 |
0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
| 47 |
52 |
|
C |
1 |
1 |
1548 |
◊ |
A |
-x,-y-1,z |
2_545 |
1 |
1 |
1623 |
0.5 |
-0.1 |
0.333 |
0 |
0 |
0 |
0.000 |
|