| ## |
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 |
212 |
71 |
18224 |
◊ |
A |
x,y,z |
1_555 |
216 |
72 |
19342 |
2068.9 |
-32.8 |
0.021 |
14 |
8 |
0 |
0.118 |
| 2 |
2 |
|
D |
78 |
17 |
11230 |
◊ |
C |
x,y,z |
1_555 |
89 |
22 |
18224 |
774.4 |
-7.7 |
0.345 |
7 |
0 |
0 |
0.048 |
3 |
|
B |
77 |
18 |
11190 |
◊ |
A |
x,y,z |
1_555 |
91 |
24 |
19342 |
764.5 |
-5.7 |
0.434 |
9 |
1 |
0 |
0.048 |
| Average: |
769.4 |
-6.7 |
0.389 |
8 |
1 |
0 |
0.048 |
| 3 |
4 |
|
C |
68 |
20 |
18224 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
63 |
20 |
19342 |
663.4 |
-1.2 |
0.767 |
1 |
7 |
0 |
0.000 |
| 4 |
5 |
|
[COA]C:508 |
43 |
1 |
986 |
◊ |
C |
x,y,z |
1_555 |
82 |
30 |
18224 |
593.6 |
0.8 |
0.600 |
4 |
0 |
0 |
0.006 |
6 |
|
[COA]A:508 |
43 |
1 |
977 |
◊ |
A |
x,y,z |
1_555 |
81 |
31 |
19342 |
590.7 |
0.7 |
0.572 |
4 |
0 |
0 |
0.006 |
| Average: |
592.2 |
0.8 |
0.586 |
4 |
0 |
0 |
0.006 |
| 5 |
7 |
|
D |
45 |
14 |
11230 |
◊ |
B |
x,y,z |
1_555 |
49 |
15 |
11190 |
545.0 |
-8.3 |
0.067 |
2 |
5 |
0 |
0.023 |
| 6 |
8 |
|
A |
52 |
13 |
19342 |
◊ |
B |
-x+2,y-1/2,-z+3/2 |
3_746 |
62 |
19 |
11190 |
539.1 |
-1.3 |
0.638 |
0 |
5 |
0 |
0.000 |
| 7 |
9 |
|
D |
41 |
13 |
11230 |
◊ |
A |
-x+3/2,-y,z-1/2 |
2_654 |
48 |
16 |
19342 |
410.4 |
2.1 |
0.858 |
4 |
8 |
0 |
0.000 |
| 8 |
10 |
|
C |
46 |
15 |
18224 |
◊ |
B |
-x+3/2,-y,z-1/2 |
2_654 |
36 |
10 |
11190 |
374.8 |
0.6 |
0.742 |
2 |
9 |
0 |
0.000 |
| 9 |
11 |
|
[A12]D:302 |
26 |
1 |
548 |
f |
D |
x,y,z |
1_555 |
40 |
20 |
11230 |
333.5 |
-4.4 |
0.606 |
7 |
0 |
0 |
0.034 |
12 |
|
[A12]B:300 |
26 |
1 |
541 |
f |
B |
x,y,z |
1_555 |
39 |
20 |
11190 |
332.4 |
-4.4 |
0.546 |
6 |
0 |
0 |
0.034 |
| Average: |
332.9 |
-4.4 |
0.576 |
7 |
0 |
0 |
0.034 |
| 10 |
13 |
|
A |
32 |
8 |
19342 |
◊ |
B |
-x+1,y-1/2,-z+3/2 |
3_646 |
31 |
9 |
11190 |
241.0 |
-1.5 |
0.477 |
0 |
2 |
0 |
0.000 |
| 11 |
14 |
|
C |
22 |
8 |
18224 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
29 |
10 |
11230 |
220.8 |
-1.1 |
0.577 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
C |
15 |
6 |
18224 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
17 |
8 |
18224 |
122.3 |
0.5 |
0.569 |
0 |
1 |
0 |
0.000 |
| 13 |
16 |
|
A |
13 |
7 |
19342 |
x |
A |
-x+1,y-1/2,-z+3/2 |
3_646 |
15 |
5 |
19342 |
91.6 |
2.0 |
0.889 |
1 |
2 |
0 |
0.000 |
| 14 |
17 |
|
[HG]C:505 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
18224 |
75.0 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.162 |
18 |
|
[HG]A:505 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
19342 |
74.3 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.162 |
| Average: |
74.7 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.162 |
| 15 |
19 |
|
[NA]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
11230 |
67.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| 16 |
20 |
|
C |
10 |
7 |
18224 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
12 |
5 |
11190 |
65.2 |
1.8 |
0.869 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
D |
7 |
3 |
11230 |
x |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
11230 |
61.9 |
1.0 |
0.799 |
0 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[HG]C:502 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
18224 |
60.4 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.122 |
23 |
|
[HG]A:502 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19342 |
60.3 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
60.3 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.122 |
| 19 |
24 |
|
[COA]C:508 |
6 |
1 |
986 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
19342 |
59.7 |
-2.0 |
0.174 |
0 |
0 |
0 |
0.008 |
25 |
|
[COA]A:508 |
2 |
1 |
977 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
18224 |
10.1 |
-0.6 |
0.365 |
0 |
0 |
0 |
0.008 |
| Average: |
34.9 |
-1.3 |
0.269 |
0 |
0 |
0 |
0.008 |
| 20 |
26 |
|
[CL]A:501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
19342 |
59.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.052 |
27 |
|
[CL]C:501 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
18224 |
59.4 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.052 |
| Average: |
59.4 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.052 |
| 21 |
28 |
|
[HG]A:504 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
19342 |
57.4 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.125 |
29 |
|
[HG]C:504 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
18224 |
57.1 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.125 |
| Average: |
57.3 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.125 |
| 22 |
30 |
|
A |
5 |
1 |
19342 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
4 |
11230 |
56.9 |
0.7 |
0.766 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[CL]A:503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19342 |
53.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.051 |
32 |
|
[CL]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
18224 |
53.4 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.051 |
| Average: |
53.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.051 |
| 24 |
33 |
|
[HG]C:507 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
18224 |
49.0 |
-18.1 |
0.000 |
0 |
0 |
0 |
0.106 |
34 |
|
[HG]A:507 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
19342 |
48.4 |
-17.9 |
0.000 |
0 |
0 |
0 |
0.106 |
| Average: |
48.7 |
-18.0 |
0.000 |
0 |
0 |
0 |
0.106 |
| 25 |
35 |
|
[CL]C:506 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
18224 |
48.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.053 |
36 |
|
[CL]A:506 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
19342 |
47.4 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
47.7 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.053 |
| 26 |
37 |
|
[HG]C:502 |
1 |
1 |
137 |
f |
[CL]C:501 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.5 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.030 |
| 27 |
38 |
|
[HG]A:502 |
1 |
1 |
137 |
f |
[CL]A:501 |
x,y,z |
1_555 |
1 |
1 |
125 |
34.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.030 |
| 28 |
39 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
11190 |
34.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.032 |
40 |
|
[CA]D:303 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
11230 |
33.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| Average: |
34.1 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| 29 |
41 |
|
B |
4 |
2 |
11190 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
1 |
11230 |
32.8 |
0.7 |
0.834 |
0 |
0 |
0 |
0.000 |
| 30 |
42 |
|
[CA]D:303 |
1 |
1 |
85 |
f |
[A12]D:302 |
x,y,z |
1_555 |
5 |
1 |
548 |
32.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.034 |
43 |
|
[CA]B:301 |
1 |
1 |
85 |
f |
[A12]B:300 |
x,y,z |
1_555 |
4 |
1 |
541 |
32.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| Average: |
32.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.034 |
| 31 |
44 |
|
[HG]A:504 |
1 |
1 |
137 |
f |
[CL]A:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
31.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.027 |
| 32 |
45 |
|
[HG]C:504 |
1 |
1 |
137 |
f |
[CL]C:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.027 |
| 33 |
46 |
|
[HG]A:507 |
1 |
1 |
137 |
f |
[CL]A:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.9 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| 34 |
47 |
|
[HG]C:507 |
1 |
1 |
137 |
f |
[CL]C:506 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.1 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.024 |
| 35 |
48 |
|
[HG]A:507 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18224 |
21.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.027 |
49 |
|
[HG]C:507 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
19342 |
21.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| Average: |
21.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.027 |
| 36 |
50 |
|
C |
1 |
1 |
18224 |
◊ |
[COA]C:508 |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
986 |
19.5 |
1.1 |
0.854 |
0 |
0 |
0 |
0.000 |
| 37 |
51 |
|
[COA]C:508 |
3 |
1 |
986 |
◊ |
[CL]C:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
52 |
|
[COA]A:508 |
3 |
1 |
977 |
◊ |
[CL]A:503 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
| 38 |
53 |
|
[A12]D:302 |
1 |
1 |
548 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11190 |
9.2 |
-0.2 |
0.490 |
0 |
0 |
0 |
0.001 |
54 |
|
[A12]B:300 |
2 |
1 |
541 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11230 |
7.8 |
-0.3 |
0.580 |
0 |
0 |
0 |
0.001 |
| Average: |
8.5 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.001 |
| 39 |
55 |
|
[CL]A:506 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
18224 |
5.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
56 |
|
[CL]C:506 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19342 |
4.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
4.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.003 |
|