| ## |
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 |
|
B |
141 |
38 |
8271 |
◊ |
A |
x,y,z |
1_555 |
122 |
27 |
12313 |
1285.8 |
-8.4 |
0.544 |
16 |
2 |
0 |
0.205 |
2 |
|
H |
139 |
41 |
8396 |
◊ |
G |
x,y,z |
1_555 |
122 |
27 |
12316 |
1281.1 |
-9.3 |
0.485 |
16 |
3 |
0 |
0.205 |
3 |
|
F |
131 |
38 |
8464 |
◊ |
E |
x,y,z |
1_555 |
123 |
27 |
12258 |
1271.8 |
-10.3 |
0.419 |
17 |
1 |
0 |
0.205 |
4 |
|
D |
137 |
38 |
8308 |
◊ |
C |
x,y,z |
1_555 |
124 |
27 |
12252 |
1246.9 |
-10.3 |
0.448 |
14 |
1 |
0 |
0.205 |
| Average: |
1271.4 |
-9.6 |
0.474 |
16 |
2 |
0 |
0.205 |
| 2 |
5 |
|
[HEC]A:953 |
43 |
1 |
820 |
f |
A |
x,y,z |
1_555 |
83 |
34 |
12313 |
615.3 |
-22.7 |
0.246 |
5 |
0 |
0 |
0.288 |
6 |
|
[HEC]G:953 |
43 |
1 |
812 |
f |
G |
x,y,z |
1_555 |
79 |
32 |
12316 |
609.8 |
-22.7 |
0.223 |
4 |
0 |
0 |
0.288 |
7 |
|
[HEC]C:953 |
43 |
1 |
812 |
f |
C |
x,y,z |
1_555 |
80 |
32 |
12252 |
606.7 |
-22.4 |
0.241 |
4 |
0 |
0 |
0.288 |
8 |
|
[HEC]E:953 |
43 |
1 |
807 |
f |
E |
x,y,z |
1_555 |
81 |
33 |
12258 |
599.1 |
-22.6 |
0.234 |
4 |
0 |
0 |
0.288 |
| Average: |
607.7 |
-22.6 |
0.236 |
4 |
0 |
0 |
0.288 |
| 3 |
9 |
|
[HEC]H:951 |
43 |
1 |
830 |
f |
H |
x,y,z |
1_555 |
69 |
26 |
8396 |
567.9 |
-21.7 |
0.223 |
4 |
0 |
0 |
0.268 |
10 |
|
[HEC]D:951 |
42 |
1 |
829 |
f |
D |
x,y,z |
1_555 |
67 |
26 |
8308 |
564.3 |
-21.5 |
0.244 |
3 |
0 |
0 |
0.268 |
11 |
|
[HEC]F:951 |
42 |
1 |
833 |
f |
F |
x,y,z |
1_555 |
62 |
25 |
8464 |
563.0 |
-21.5 |
0.203 |
4 |
0 |
0 |
0.268 |
12 |
|
[HEC]B:951 |
43 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
66 |
26 |
8271 |
559.8 |
-21.1 |
0.253 |
4 |
0 |
0 |
0.268 |
| Average: |
563.7 |
-21.4 |
0.231 |
4 |
0 |
0 |
0.268 |
| 4 |
13 |
|
[HEC]A:952 |
42 |
1 |
848 |
f |
A |
x,y,z |
1_555 |
61 |
23 |
12313 |
544.5 |
-19.8 |
0.169 |
3 |
0 |
0 |
0.248 |
14 |
|
[HEC]G:952 |
42 |
1 |
848 |
f |
G |
x,y,z |
1_555 |
59 |
24 |
12316 |
543.0 |
-19.6 |
0.162 |
3 |
0 |
0 |
0.248 |
15 |
|
[HEC]E:952 |
42 |
1 |
844 |
f |
E |
x,y,z |
1_555 |
59 |
22 |
12258 |
541.9 |
-19.0 |
0.245 |
2 |
0 |
0 |
0.248 |
16 |
|
[HEC]C:952 |
42 |
1 |
851 |
f |
C |
x,y,z |
1_555 |
63 |
23 |
12252 |
538.7 |
-20.3 |
0.147 |
3 |
0 |
0 |
0.248 |
| Average: |
542.0 |
-19.7 |
0.181 |
3 |
0 |
0 |
0.248 |
| 5 |
17 |
|
H |
52 |
13 |
8396 |
◊ |
C |
x,y,z |
1_555 |
47 |
13 |
12252 |
468.9 |
-3.2 |
0.389 |
4 |
2 |
0 |
0.000 |
18 |
|
B |
49 |
13 |
8271 |
◊ |
E |
x,y,z |
1_555 |
46 |
12 |
12258 |
443.4 |
-1.8 |
0.483 |
4 |
2 |
0 |
0.000 |
| Average: |
456.1 |
-2.5 |
0.436 |
4 |
2 |
0 |
0.000 |
| 6 |
19 |
|
E |
46 |
11 |
12258 |
◊ |
A |
x,y,z |
1_555 |
43 |
11 |
12313 |
442.8 |
-2.9 |
0.312 |
4 |
7 |
0 |
0.000 |
20 |
|
G |
44 |
11 |
12316 |
◊ |
C |
x,y,z |
1_555 |
45 |
11 |
12252 |
432.4 |
-2.3 |
0.357 |
4 |
7 |
0 |
0.000 |
| Average: |
437.6 |
-2.6 |
0.335 |
4 |
7 |
0 |
0.000 |
| 7 |
21 |
|
F |
27 |
10 |
8464 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
40 |
11 |
12313 |
277.9 |
-1.8 |
0.541 |
4 |
0 |
0 |
0.000 |
22 |
|
G |
31 |
11 |
12316 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
25 |
9 |
8308 |
221.8 |
-0.8 |
0.639 |
4 |
1 |
0 |
0.000 |
| Average: |
249.8 |
-1.3 |
0.590 |
4 |
1 |
0 |
0.000 |
| 8 |
23 |
|
H |
30 |
10 |
8396 |
◊ |
E |
x,y,z-1 |
1_554 |
25 |
8 |
12258 |
265.9 |
-1.3 |
0.600 |
6 |
0 |
0 |
0.000 |
24 |
|
B |
31 |
10 |
8271 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
12252 |
251.1 |
-1.5 |
0.568 |
6 |
0 |
0 |
0.000 |
| Average: |
258.5 |
-1.4 |
0.584 |
6 |
0 |
0 |
0.000 |
| 9 |
25 |
|
E |
24 |
7 |
12258 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
7 |
12313 |
222.3 |
2.5 |
0.873 |
2 |
4 |
0 |
0.000 |
26 |
|
G |
24 |
7 |
12316 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
24 |
7 |
12252 |
204.9 |
1.5 |
0.809 |
2 |
3 |
0 |
0.000 |
| Average: |
213.6 |
2.0 |
0.841 |
2 |
4 |
0 |
0.000 |
| 10 |
27 |
|
A |
28 |
9 |
12313 |
◊ |
F |
x-1,y,z |
1_455 |
21 |
10 |
8464 |
206.1 |
-1.6 |
0.487 |
1 |
0 |
0 |
0.000 |
| 11 |
28 |
|
D |
20 |
6 |
8308 |
◊ |
F |
x-1,y,z-1 |
1_454 |
26 |
11 |
8464 |
195.5 |
-1.3 |
0.606 |
2 |
0 |
0 |
0.000 |
| 12 |
29 |
|
B |
26 |
11 |
8271 |
◊ |
F |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
10 |
8464 |
159.8 |
-1.3 |
0.614 |
0 |
0 |
0 |
0.000 |
| 13 |
30 |
|
D |
22 |
9 |
8308 |
◊ |
G |
x-1,y,z |
1_455 |
20 |
7 |
12316 |
152.6 |
0.6 |
0.741 |
1 |
0 |
0 |
0.000 |
| 14 |
31 |
|
D |
22 |
7 |
8308 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
20 |
11 |
8396 |
121.8 |
-1.1 |
0.618 |
0 |
0 |
0 |
0.000 |
| 15 |
32 |
|
[HEC]G:952 |
14 |
1 |
848 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
11 |
4 |
8308 |
103.5 |
-0.9 |
0.952 |
0 |
0 |
0 |
0.000 |
33 |
|
F |
11 |
4 |
8464 |
◊ |
[HEC]A:952 |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
1 |
848 |
100.5 |
-1.3 |
0.932 |
1 |
0 |
0 |
0.000 |
| Average: |
102.0 |
-1.1 |
0.942 |
1 |
0 |
0 |
0.000 |
| 16 |
34 |
|
F |
12 |
2 |
8464 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
12252 |
98.6 |
0.2 |
0.692 |
0 |
0 |
0 |
0.000 |
35 |
|
D |
8 |
2 |
8308 |
◊ |
E |
x,y,z-1 |
1_554 |
10 |
4 |
12258 |
93.6 |
-0.7 |
0.460 |
1 |
0 |
0 |
0.000 |
| Average: |
96.1 |
-0.2 |
0.576 |
1 |
0 |
0 |
0.000 |
| 17 |
36 |
|
C |
7 |
4 |
12252 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
3 |
12258 |
89.2 |
-1.8 |
0.137 |
0 |
0 |
0 |
0.000 |
| 18 |
37 |
|
[HEC]F:951 |
7 |
1 |
833 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
12258 |
80.9 |
-2.2 |
0.513 |
0 |
0 |
0 |
0.025 |
38 |
|
[HEC]D:951 |
7 |
1 |
829 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
12252 |
72.1 |
-1.8 |
0.613 |
0 |
0 |
0 |
0.025 |
39 |
|
[HEC]B:951 |
7 |
1 |
825 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
12313 |
71.1 |
-1.9 |
0.592 |
0 |
0 |
0 |
0.025 |
40 |
|
[HEC]H:951 |
7 |
1 |
830 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
12316 |
63.8 |
-1.6 |
0.614 |
0 |
0 |
0 |
0.025 |
| Average: |
72.0 |
-1.9 |
0.583 |
0 |
0 |
0 |
0.025 |
| 19 |
41 |
|
B |
7 |
4 |
8271 |
◊ |
F |
x-1,y,z |
1_455 |
10 |
3 |
8464 |
71.6 |
-0.4 |
0.599 |
0 |
0 |
0 |
0.000 |
| 20 |
42 |
|
H |
6 |
3 |
8396 |
◊ |
[HEC]E:952 |
x,y,z-1 |
1_554 |
4 |
1 |
844 |
41.5 |
-0.9 |
0.683 |
0 |
0 |
0 |
0.000 |
43 |
|
[HEC]C:952 |
4 |
1 |
851 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
8271 |
13.7 |
-0.5 |
0.720 |
0 |
0 |
0 |
0.000 |
| Average: |
27.6 |
-0.7 |
0.702 |
0 |
0 |
0 |
0.000 |
| 21 |
44 |
|
B |
5 |
1 |
8271 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
2 |
12258 |
40.3 |
1.2 |
0.854 |
0 |
0 |
0 |
0.000 |
| 22 |
45 |
|
G |
6 |
3 |
12316 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
8396 |
25.4 |
-0.2 |
0.615 |
0 |
0 |
0 |
0.000 |
| 23 |
46 |
|
E |
3 |
1 |
12258 |
◊ |
[HEC]A:952 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
848 |
24.8 |
0.3 |
0.778 |
0 |
0 |
0 |
0.000 |
47 |
|
[HEC]G:952 |
2 |
1 |
848 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
12252 |
23.6 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
| Average: |
24.2 |
0.2 |
0.777 |
0 |
0 |
0 |
0.000 |
| 24 |
48 |
|
F |
3 |
1 |
8464 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8271 |
23.6 |
0.1 |
0.526 |
0 |
0 |
0 |
0.000 |
49 |
|
H |
2 |
1 |
8396 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8308 |
14.1 |
0.3 |
0.564 |
0 |
0 |
0 |
0.000 |
| Average: |
18.8 |
0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
| 25 |
50 |
|
B |
1 |
1 |
8271 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
12313 |
8.3 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
| 26 |
51 |
|
D |
1 |
1 |
8308 |
◊ |
E |
x-1,y,z-1 |
1_454 |
2 |
2 |
12258 |
5.9 |
-0.2 |
0.391 |
0 |
0 |
0 |
0.000 |
| 27 |
52 |
|
C |
1 |
1 |
12252 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12313 |
5.1 |
0.3 |
0.858 |
0 |
0 |
0 |
0.000 |
| 28 |
53 |
|
[HEC]F:951 |
1 |
1 |
833 |
◊ |
[HEC]E:953 |
x,y,z |
1_555 |
1 |
1 |
807 |
4.2 |
-0.1 |
0.814 |
0 |
0 |
0 |
0.002 |
54 |
|
[HEC]B:951 |
1 |
1 |
825 |
◊ |
[HEC]A:953 |
x,y,z |
1_555 |
1 |
1 |
820 |
3.0 |
-0.1 |
0.814 |
0 |
0 |
0 |
0.002 |
55 |
|
[HEC]H:951 |
1 |
1 |
830 |
◊ |
[HEC]G:953 |
x,y,z |
1_555 |
1 |
1 |
812 |
2.4 |
-0.1 |
0.814 |
0 |
0 |
0 |
0.002 |
56 |
|
[HEC]D:951 |
1 |
1 |
829 |
◊ |
[HEC]C:953 |
x,y,z |
1_555 |
1 |
1 |
812 |
1.2 |
-0.0 |
0.907 |
0 |
0 |
0 |
0.002 |
| Average: |
2.7 |
-0.1 |
0.837 |
0 |
0 |
0 |
0.002 |
| 29 |
57 |
|
[HEC]D:951 |
1 |
1 |
829 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
8396 |
4.0 |
-0.3 |
0.509 |
0 |
0 |
0 |
0.000 |
| 30 |
58 |
|
C |
2 |
2 |
12252 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
2 |
2 |
8396 |
3.7 |
-0.1 |
0.547 |
0 |
0 |
0 |
0.000 |
| 31 |
59 |
|
E |
1 |
1 |
12258 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
8396 |
0.9 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
|