## |
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 |
|
F |
490 |
126 |
18903 |
◊ |
A |
x,y,z |
1_555 |
483 |
123 |
18741 |
4719.4 |
-46.3 |
0.219 |
58 |
14 |
0 |
0.331 |
2 |
|
E |
487 |
125 |
18849 |
◊ |
B |
x,y,z |
1_555 |
473 |
125 |
18737 |
4713.5 |
-47.9 |
0.178 |
58 |
14 |
0 |
0.331 |
3 |
|
G |
482 |
123 |
18641 |
◊ |
D |
x,y,z |
1_555 |
481 |
124 |
18830 |
4706.5 |
-48.8 |
0.191 |
60 |
14 |
0 |
0.331 |
4 |
|
H |
479 |
125 |
18654 |
◊ |
C |
x,y,z |
1_555 |
483 |
127 |
18819 |
4704.8 |
-49.1 |
0.157 |
57 |
14 |
0 |
0.331 |
Average: |
4711.1 |
-48.0 |
0.186 |
58 |
14 |
0 |
0.331 |
2 |
5 |
|
D |
170 |
45 |
18830 |
◊ |
A |
x,y,z |
1_555 |
172 |
47 |
18741 |
1595.7 |
-21.2 |
0.147 |
19 |
0 |
0 |
0.167 |
6 |
|
C |
170 |
46 |
18819 |
◊ |
B |
x,y,z |
1_555 |
167 |
46 |
18737 |
1585.6 |
-21.2 |
0.129 |
21 |
0 |
0 |
0.167 |
7 |
|
G |
165 |
45 |
18641 |
◊ |
F |
x,y,z |
1_555 |
167 |
44 |
18903 |
1581.5 |
-20.2 |
0.166 |
22 |
0 |
0 |
0.167 |
8 |
|
H |
167 |
44 |
18654 |
◊ |
E |
x,y,z |
1_555 |
163 |
44 |
18849 |
1565.0 |
-20.8 |
0.140 |
22 |
0 |
0 |
0.167 |
Average: |
1581.9 |
-20.8 |
0.145 |
21 |
0 |
0 |
0.167 |
3 |
9 |
|
G |
80 |
22 |
18641 |
◊ |
A |
x,y,z |
1_555 |
78 |
21 |
18741 |
680.2 |
-5.1 |
0.575 |
6 |
0 |
0 |
0.029 |
10 |
|
H |
78 |
21 |
18654 |
◊ |
B |
x,y,z |
1_555 |
80 |
21 |
18737 |
677.3 |
-5.4 |
0.537 |
6 |
0 |
0 |
0.029 |
11 |
|
E |
79 |
21 |
18849 |
◊ |
C |
x,y,z |
1_555 |
79 |
21 |
18819 |
669.7 |
-5.4 |
0.545 |
5 |
0 |
0 |
0.029 |
12 |
|
F |
79 |
22 |
18903 |
◊ |
D |
x,y,z |
1_555 |
77 |
20 |
18830 |
667.3 |
-5.4 |
0.541 |
4 |
0 |
0 |
0.029 |
Average: |
673.6 |
-5.3 |
0.550 |
5 |
0 |
0 |
0.029 |
4 |
13 |
|
H |
48 |
14 |
18654 |
◊ |
G |
x,y,z-1 |
1_554 |
46 |
13 |
18641 |
425.1 |
0.8 |
0.849 |
7 |
3 |
0 |
0.000 |
5 |
14 |
|
B |
45 |
20 |
18737 |
◊ |
A |
x,y,z |
1_555 |
46 |
18 |
18741 |
397.3 |
2.1 |
0.905 |
2 |
4 |
0 |
0.000 |
6 |
15 |
|
E |
35 |
11 |
18849 |
x |
E |
-x,y-1/2,-z |
2_545 |
37 |
10 |
18849 |
318.5 |
0.7 |
0.740 |
5 |
4 |
0 |
0.000 |
16 |
|
F |
34 |
11 |
18903 |
x |
F |
-x-1,y-1/2,-z |
2_445 |
35 |
10 |
18903 |
297.1 |
1.3 |
0.700 |
5 |
3 |
0 |
0.000 |
Average: |
307.8 |
1.0 |
0.720 |
5 |
4 |
0 |
0.000 |
7 |
17 |
|
C |
17 |
5 |
18819 |
◊ |
H |
-x-1,y-1/2,-z-1 |
2_444 |
19 |
7 |
18654 |
162.5 |
-0.9 |
0.467 |
1 |
0 |
0 |
0.000 |
18 |
|
D |
17 |
5 |
18830 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
17 |
7 |
18641 |
162.5 |
-0.5 |
0.459 |
2 |
0 |
0 |
0.000 |
Average: |
162.5 |
-0.7 |
0.463 |
2 |
0 |
0 |
0.000 |
8 |
19 |
|
F |
18 |
5 |
18903 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
15 |
6 |
18741 |
148.1 |
-1.0 |
0.463 |
2 |
0 |
0 |
0.000 |
20 |
|
E |
17 |
5 |
18849 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
15 |
6 |
18737 |
143.6 |
-0.8 |
0.485 |
2 |
0 |
0 |
0.000 |
Average: |
145.9 |
-0.9 |
0.474 |
2 |
0 |
0 |
0.000 |
9 |
21 |
|
C |
18 |
8 |
18819 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
5 |
18819 |
128.7 |
1.0 |
0.725 |
1 |
2 |
0 |
0.000 |
22 |
|
D |
13 |
5 |
18830 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
18830 |
111.3 |
0.9 |
0.658 |
1 |
2 |
0 |
0.000 |
Average: |
120.0 |
0.9 |
0.691 |
1 |
2 |
0 |
0.000 |
10 |
23 |
|
A |
15 |
4 |
18741 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
17 |
6 |
18849 |
120.7 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
24 |
|
B |
15 |
4 |
18737 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
12 |
7 |
18903 |
108.4 |
1.0 |
0.827 |
0 |
0 |
0 |
0.000 |
Average: |
114.5 |
0.8 |
0.806 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
G |
14 |
3 |
18641 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
14 |
5 |
18819 |
103.5 |
-0.9 |
0.466 |
0 |
0 |
0 |
0.000 |
26 |
|
H |
10 |
2 |
18654 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
12 |
4 |
18830 |
94.4 |
-1.2 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
99.0 |
-1.1 |
0.418 |
0 |
0 |
0 |
0.000 |
12 |
27 |
|
G |
14 |
4 |
18641 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
17 |
5 |
18830 |
100.9 |
-0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
28 |
|
H |
15 |
4 |
18654 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
15 |
5 |
18819 |
97.4 |
-0.1 |
0.679 |
0 |
0 |
0 |
0.000 |
Average: |
99.2 |
-0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
13 |
29 |
|
A |
7 |
2 |
18741 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
7 |
2 |
18903 |
54.1 |
1.1 |
0.857 |
0 |
0 |
0 |
0.000 |
30 |
|
B |
6 |
2 |
18737 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
8 |
2 |
18849 |
53.2 |
1.3 |
0.881 |
0 |
0 |
0 |
0.000 |
Average: |
53.7 |
1.2 |
0.869 |
0 |
0 |
0 |
0.000 |
14 |
31 |
|
C |
5 |
2 |
18819 |
◊ |
H |
x,y-1,z |
1_545 |
6 |
2 |
18654 |
50.7 |
0.1 |
0.521 |
0 |
1 |
0 |
0.000 |
32 |
|
D |
4 |
2 |
18830 |
◊ |
G |
x,y-1,z |
1_545 |
3 |
2 |
18641 |
22.8 |
-0.3 |
0.435 |
0 |
0 |
0 |
0.000 |
33 |
|
F |
2 |
1 |
18903 |
◊ |
A |
x,y-1,z |
1_545 |
3 |
1 |
18741 |
18.7 |
-0.3 |
0.381 |
0 |
0 |
0 |
0.000 |
34 |
|
E |
2 |
1 |
18849 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
18737 |
14.6 |
-0.4 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
26.7 |
-0.2 |
0.427 |
0 |
0 |
0 |
0.000 |
15 |
35 |
|
G |
7 |
2 |
18641 |
x |
G |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
18641 |
48.8 |
-0.5 |
0.427 |
0 |
0 |
0 |
0.000 |
36 |
|
H |
7 |
2 |
18654 |
x |
H |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
18654 |
47.3 |
-0.5 |
0.424 |
0 |
0 |
0 |
0.000 |
Average: |
48.1 |
-0.5 |
0.425 |
0 |
0 |
0 |
0.000 |
16 |
37 |
|
[ZN]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
18830 |
42.8 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.352 |
38 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
18737 |
42.7 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.352 |
39 |
|
[ZN]G:401 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
7 |
5 |
18641 |
42.7 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.352 |
40 |
|
[ZN]H:401 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
5 |
18654 |
42.6 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.352 |
41 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
18741 |
42.5 |
-32.7 |
0.000 |
0 |
0 |
0 |
0.352 |
42 |
|
[ZN]E:401 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
18849 |
42.4 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.352 |
43 |
|
[ZN]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
18819 |
42.4 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.352 |
44 |
|
[ZN]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
18903 |
42.3 |
-31.7 |
0.000 |
0 |
0 |
0 |
0.352 |
Average: |
42.5 |
-31.9 |
0.000 |
0 |
0 |
0 |
0.352 |
17 |
45 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
18737 |
40.8 |
-30.5 |
0.000 |
0 |
0 |
0 |
0.330 |
46 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
18741 |
40.4 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.330 |
47 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
18830 |
40.3 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.330 |
48 |
|
[ZN]H:402 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
18654 |
40.2 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.330 |
49 |
|
[ZN]E:402 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
18849 |
39.9 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.330 |
50 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
18819 |
39.7 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.330 |
51 |
|
[ZN]G:402 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
6 |
4 |
18641 |
39.7 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.330 |
52 |
|
[ZN]F:402 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
6 |
4 |
18903 |
39.2 |
-29.9 |
0.000 |
0 |
0 |
0 |
0.330 |
Average: |
40.0 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.330 |
18 |
53 |
|
[ZN]C:402 |
1 |
1 |
98 |
f |
[ZN]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.1 |
-14.5 |
0.000 |
0 |
0 |
0 |
0.079 |
19 |
54 |
|
[ZN]E:402 |
1 |
1 |
98 |
f |
[ZN]E:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.079 |
20 |
55 |
|
[ZN]F:402 |
1 |
1 |
98 |
f |
[ZN]F:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.079 |
21 |
56 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.0 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.079 |
22 |
57 |
|
[ZN]H:402 |
1 |
1 |
98 |
f |
[ZN]H:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.9 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.078 |
23 |
58 |
|
[ZN]D:402 |
1 |
1 |
98 |
f |
[ZN]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.9 |
-14.3 |
0.000 |
0 |
0 |
0 |
0.078 |
24 |
59 |
|
[ZN]G:402 |
1 |
1 |
98 |
f |
[ZN]G:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.078 |
25 |
60 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.8 |
-14.2 |
0.000 |
0 |
0 |
0 |
0.078 |
26 |
61 |
|
[ZN]F:402 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
18741 |
6.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.019 |
62 |
|
[ZN]G:402 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
18830 |
6.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.019 |
63 |
|
[ZN]D:402 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
18641 |
5.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.019 |
64 |
|
[ZN]E:402 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18737 |
5.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.019 |
65 |
|
[ZN]C:402 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
18654 |
5.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.019 |
66 |
|
[ZN]H:402 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18819 |
5.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.019 |
67 |
|
[ZN]A:402 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
18903 |
5.0 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.019 |
68 |
|
[ZN]B:402 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
18849 |
4.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
5.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.019 |
27 |
69 |
|
B |
1 |
1 |
18737 |
x |
B |
-x,y-1/2,-z |
2_545 |
3 |
1 |
18737 |
5.2 |
-0.2 |
0.433 |
0 |
0 |
0 |
0.000 |
70 |
|
A |
1 |
1 |
18741 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
18741 |
4.2 |
-0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
Average: |
4.7 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
|