## |
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 |
|
G |
157 |
46 |
14409 |
◊ |
D |
x,y,z |
1_555 |
155 |
45 |
14351 |
1403.4 |
-20.6 |
0.131 |
15 |
10 |
0 |
0.217 |
2 |
|
H |
151 |
44 |
14456 |
◊ |
B |
x,y,z |
1_555 |
158 |
45 |
14404 |
1374.7 |
-21.2 |
0.115 |
16 |
10 |
0 |
0.217 |
3 |
|
E |
153 |
44 |
14467 |
◊ |
A |
x,y,z |
1_555 |
150 |
45 |
14380 |
1373.8 |
-21.7 |
0.090 |
15 |
10 |
0 |
0.217 |
4 |
|
F |
149 |
45 |
14366 |
◊ |
C |
x,y,z |
1_555 |
154 |
44 |
14414 |
1356.2 |
-21.8 |
0.084 |
16 |
10 |
0 |
0.217 |
Average: |
1377.0 |
-21.3 |
0.105 |
16 |
10 |
0 |
0.217 |
2 |
5 |
|
C |
64 |
21 |
14414 |
◊ |
B |
x,y,z |
1_555 |
68 |
22 |
14404 |
644.9 |
-7.2 |
0.344 |
4 |
2 |
0 |
0.062 |
6 |
|
H |
69 |
23 |
14456 |
◊ |
F |
x,y,z |
1_555 |
64 |
21 |
14366 |
639.0 |
-7.9 |
0.300 |
4 |
2 |
0 |
0.062 |
7 |
|
E |
67 |
21 |
14467 |
◊ |
D |
x,y,z |
1_555 |
64 |
22 |
14351 |
615.0 |
-7.8 |
0.300 |
4 |
2 |
0 |
0.062 |
8 |
|
G |
66 |
21 |
14409 |
◊ |
A |
x,y,z |
1_555 |
63 |
21 |
14380 |
603.3 |
-6.5 |
0.398 |
4 |
2 |
0 |
0.062 |
Average: |
625.5 |
-7.3 |
0.336 |
4 |
2 |
0 |
0.062 |
3 |
9 |
|
[NAD]E:503 |
43 |
1 |
874 |
f |
E |
x,y,z |
1_555 |
81 |
35 |
14467 |
609.5 |
-9.5 |
0.421 |
13 |
0 |
0 |
0.220 |
10 |
|
[NAD]A:503 |
43 |
1 |
875 |
f |
A |
x,y,z |
1_555 |
82 |
34 |
14380 |
609.2 |
-9.7 |
0.416 |
13 |
0 |
0 |
0.220 |
11 |
|
[NAD]H:503 |
43 |
1 |
881 |
f |
H |
x,y,z |
1_555 |
79 |
34 |
14456 |
608.5 |
-9.5 |
0.425 |
14 |
0 |
0 |
0.220 |
12 |
|
[NAD]F:503 |
43 |
1 |
878 |
f |
F |
x,y,z |
1_555 |
81 |
35 |
14366 |
608.2 |
-9.5 |
0.425 |
13 |
0 |
0 |
0.220 |
13 |
|
[NAD]C:503 |
43 |
1 |
879 |
f |
C |
x,y,z |
1_555 |
82 |
35 |
14414 |
608.0 |
-9.2 |
0.438 |
12 |
0 |
0 |
0.220 |
14 |
|
[NAD]B:503 |
42 |
1 |
875 |
f |
B |
x,y,z |
1_555 |
79 |
35 |
14404 |
604.7 |
-9.3 |
0.431 |
13 |
0 |
0 |
0.220 |
15 |
|
[NAD]D:503 |
42 |
1 |
873 |
f |
D |
x,y,z |
1_555 |
80 |
34 |
14351 |
603.8 |
-9.2 |
0.421 |
13 |
0 |
0 |
0.220 |
16 |
|
[NAD]G:503 |
43 |
1 |
871 |
f |
G |
x,y,z |
1_555 |
82 |
36 |
14409 |
602.2 |
-9.1 |
0.444 |
13 |
0 |
0 |
0.220 |
Average: |
606.8 |
-9.4 |
0.428 |
13 |
0 |
0 |
0.220 |
4 |
17 |
|
F |
51 |
17 |
14366 |
◊ |
B |
x,y,z |
1_555 |
50 |
17 |
14404 |
450.5 |
-5.3 |
0.393 |
0 |
0 |
0 |
0.034 |
18 |
|
D |
48 |
16 |
14351 |
◊ |
A |
x,y,z |
1_555 |
51 |
17 |
14380 |
446.2 |
-5.2 |
0.383 |
0 |
0 |
0 |
0.034 |
19 |
|
G |
47 |
17 |
14409 |
◊ |
E |
x,y,z |
1_555 |
47 |
16 |
14467 |
439.4 |
-5.1 |
0.377 |
0 |
0 |
0 |
0.034 |
20 |
|
H |
46 |
15 |
14456 |
◊ |
C |
x,y,z |
1_555 |
48 |
15 |
14414 |
437.0 |
-4.6 |
0.421 |
0 |
0 |
0 |
0.034 |
Average: |
443.3 |
-5.1 |
0.393 |
0 |
0 |
0 |
0.034 |
5 |
21 |
|
E |
37 |
14 |
14467 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
14404 |
324.8 |
0.6 |
0.848 |
3 |
2 |
0 |
0.000 |
22 |
|
C |
34 |
9 |
14414 |
◊ |
A |
-x-1/2,-y+3,z-1/2 |
2_484 |
37 |
12 |
14380 |
310.9 |
1.2 |
0.829 |
4 |
2 |
0 |
0.000 |
Average: |
317.9 |
0.9 |
0.839 |
4 |
2 |
0 |
0.000 |
6 |
23 |
|
D |
31 |
14 |
14351 |
◊ |
F |
-x-1,y-1/2,-z+1/2 |
3_445 |
29 |
11 |
14366 |
278.0 |
-0.9 |
0.696 |
3 |
2 |
0 |
0.000 |
7 |
24 |
|
G |
29 |
6 |
14409 |
◊ |
F |
x,y,z |
1_555 |
29 |
7 |
14366 |
240.7 |
-1.5 |
0.619 |
2 |
3 |
0 |
0.000 |
25 |
|
H |
30 |
6 |
14456 |
◊ |
D |
-x-1/2,-y+3,z-1/2 |
2_484 |
30 |
6 |
14351 |
240.3 |
-1.9 |
0.575 |
3 |
6 |
0 |
0.000 |
Average: |
240.5 |
-1.7 |
0.597 |
3 |
5 |
0 |
0.000 |
8 |
26 |
|
F |
30 |
10 |
14366 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
24 |
9 |
14351 |
225.0 |
-2.4 |
0.442 |
4 |
1 |
0 |
0.000 |
9 |
27 |
|
A |
18 |
6 |
14380 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
22 |
10 |
14404 |
204.6 |
-1.6 |
0.520 |
2 |
0 |
0 |
0.000 |
10 |
28 |
|
H |
20 |
8 |
14456 |
x |
H |
x-1/2,-y+5/2,-z |
4_475 |
18 |
9 |
14456 |
157.4 |
-0.4 |
0.647 |
2 |
0 |
0 |
0.000 |
11 |
29 |
|
B |
13 |
4 |
14404 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
21 |
10 |
14380 |
144.3 |
-1.1 |
0.530 |
3 |
2 |
0 |
0.000 |
12 |
30 |
|
E |
18 |
7 |
14467 |
◊ |
G |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
9 |
14409 |
110.5 |
-1.5 |
0.363 |
0 |
0 |
0 |
0.000 |
13 |
31 |
|
E |
13 |
8 |
14467 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
14380 |
91.9 |
-0.5 |
0.607 |
0 |
0 |
0 |
0.000 |
14 |
32 |
|
C |
13 |
7 |
14414 |
x |
C |
x-1/2,-y+7/2,-z |
4_485 |
10 |
4 |
14414 |
91.2 |
-0.6 |
0.587 |
0 |
0 |
0 |
0.000 |
15 |
33 |
|
E |
10 |
3 |
14467 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
14404 |
79.0 |
-0.9 |
0.461 |
0 |
0 |
0 |
0.000 |
16 |
34 |
|
E |
5 |
4 |
14467 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
14409 |
69.0 |
-0.6 |
0.345 |
0 |
0 |
0 |
0.000 |
17 |
35 |
|
[ZN]H:501 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
14456 |
43.7 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.433 |
36 |
|
[ZN]G:501 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
5 |
5 |
14409 |
43.0 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.433 |
37 |
|
[ZN]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
14414 |
42.4 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.433 |
38 |
|
[ZN]E:501 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
4 |
4 |
14467 |
42.2 |
-28.9 |
0.000 |
0 |
0 |
0 |
0.433 |
39 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
14404 |
42.1 |
-32.1 |
0.000 |
0 |
0 |
0 |
0.433 |
40 |
|
[ZN]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
14351 |
41.8 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.433 |
41 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
14380 |
40.6 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.433 |
42 |
|
[ZN]F:501 |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
4 |
4 |
14366 |
40.5 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.433 |
Average: |
42.0 |
-29.6 |
0.000 |
0 |
0 |
0 |
0.433 |
18 |
43 |
|
H |
6 |
2 |
14456 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
14380 |
40.2 |
-0.2 |
0.548 |
0 |
0 |
0 |
0.000 |
19 |
44 |
|
[NAD]C:503 |
3 |
1 |
879 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
14366 |
27.6 |
-0.2 |
0.395 |
0 |
0 |
0 |
0.002 |
45 |
|
[NAD]G:503 |
3 |
1 |
871 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14351 |
26.8 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.002 |
46 |
|
[NAD]F:503 |
2 |
1 |
878 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14414 |
26.1 |
-0.1 |
0.358 |
0 |
0 |
0 |
0.002 |
47 |
|
[NAD]A:503 |
2 |
1 |
875 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
14467 |
26.1 |
-0.1 |
0.358 |
0 |
0 |
0 |
0.002 |
48 |
|
[NAD]D:503 |
2 |
1 |
873 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
14409 |
26.0 |
-0.1 |
0.422 |
0 |
0 |
0 |
0.002 |
49 |
|
[NAD]E:503 |
2 |
1 |
874 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14380 |
26.0 |
-0.1 |
0.423 |
0 |
0 |
0 |
0.002 |
50 |
|
[NAD]B:503 |
3 |
1 |
875 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
14456 |
25.6 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.002 |
51 |
|
[NAD]H:503 |
3 |
1 |
881 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14404 |
24.2 |
-0.1 |
0.365 |
0 |
0 |
0 |
0.002 |
Average: |
26.0 |
-0.1 |
0.394 |
0 |
0 |
0 |
0.002 |
20 |
52 |
|
[NAD]H:503 |
3 |
1 |
881 |
f |
[ZN]H:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.153 |
53 |
|
[NAD]G:503 |
3 |
1 |
871 |
f |
[ZN]G:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.6 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.153 |
54 |
|
[NAD]E:503 |
3 |
1 |
874 |
f |
[ZN]E:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.153 |
55 |
|
[NAD]A:503 |
3 |
1 |
875 |
f |
[ZN]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.153 |
56 |
|
[NAD]D:503 |
3 |
1 |
873 |
f |
[ZN]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.153 |
57 |
|
[NAD]C:503 |
3 |
1 |
879 |
f |
[ZN]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.153 |
58 |
|
[NAD]F:503 |
3 |
1 |
878 |
f |
[ZN]F:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.153 |
59 |
|
[NAD]B:503 |
3 |
1 |
875 |
f |
[ZN]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.153 |
Average: |
23.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.153 |
21 |
60 |
|
E |
2 |
1 |
14467 |
◊ |
F |
-x-1,y-1/2,-z+1/2 |
3_445 |
2 |
1 |
14366 |
14.7 |
0.2 |
0.772 |
0 |
0 |
0 |
0.000 |
22 |
61 |
|
F |
2 |
2 |
14366 |
◊ |
C |
x-1/2,-y+7/2,-z |
4_485 |
2 |
1 |
14414 |
12.4 |
0.2 |
0.757 |
0 |
0 |
0 |
0.000 |
23 |
62 |
|
F |
2 |
1 |
14366 |
◊ |
H |
x-1/2,-y+5/2,-z |
4_475 |
1 |
1 |
14456 |
6.0 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
24 |
63 |
|
C |
1 |
1 |
14414 |
◊ |
D |
-x-1/2,-y+3,z-1/2 |
2_484 |
1 |
1 |
14351 |
3.0 |
-0.1 |
0.459 |
0 |
0 |
0 |
0.000 |
|