| ## |
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 |
|
D |
180 |
56 |
21903 |
◊ |
E |
x,y,z |
1_555 |
172 |
43 |
21552 |
1687.8 |
-14.9 |
0.098 |
26 |
5 |
0 |
0.191 |
2 |
|
B |
184 |
54 |
22010 |
◊ |
A |
x,y,z |
1_555 |
176 |
44 |
21686 |
1656.0 |
-12.9 |
0.111 |
21 |
4 |
0 |
0.191 |
| Average: |
1671.9 |
-13.9 |
0.104 |
24 |
5 |
0 |
0.191 |
| 2 |
3 |
|
C |
175 |
49 |
21568 |
◊ |
B |
x,y,z |
1_555 |
158 |
42 |
22010 |
1604.9 |
-7.6 |
0.208 |
24 |
9 |
0 |
0.149 |
4 |
|
F |
163 |
46 |
21726 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
150 |
40 |
21903 |
1538.9 |
-10.6 |
0.099 |
20 |
3 |
0 |
0.149 |
| Average: |
1571.9 |
-9.1 |
0.154 |
22 |
6 |
0 |
0.149 |
| 3 |
5 |
|
C |
130 |
36 |
21568 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
131 |
39 |
21686 |
1253.9 |
-4.8 |
0.189 |
22 |
2 |
0 |
0.116 |
| 4 |
6 |
|
F |
119 |
36 |
21726 |
◊ |
E |
x,y,z |
1_555 |
129 |
41 |
21552 |
1232.5 |
-8.3 |
0.145 |
13 |
0 |
0 |
0.065 |
| 5 |
7 |
|
B |
111 |
30 |
22010 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
100 |
26 |
21686 |
905.0 |
-0.1 |
0.575 |
13 |
3 |
0 |
0.000 |
| 6 |
8 |
|
E |
90 |
25 |
21552 |
◊ |
D |
-y+1/2,x-1/2,z+1/4 |
3_545 |
103 |
31 |
21903 |
877.5 |
-1.7 |
0.478 |
15 |
3 |
0 |
0.000 |
| 7 |
9 |
|
A |
44 |
16 |
21686 |
◊ |
E |
-y,-x+1,-z+1/2 |
8_565 |
41 |
15 |
21552 |
406.1 |
3.7 |
0.818 |
7 |
3 |
0 |
0.000 |
| 8 |
10 |
|
D |
47 |
12 |
21903 |
◊ |
A |
-x+1/2,y-1/2,-z+1/4 |
5_545 |
48 |
16 |
21686 |
392.1 |
-4.1 |
0.208 |
3 |
2 |
0 |
0.000 |
| 9 |
11 |
|
[ADP]B:1607 |
27 |
1 |
546 |
f |
B |
x,y,z |
1_555 |
46 |
20 |
22010 |
349.3 |
-4.4 |
0.577 |
13 |
0 |
0 |
0.077 |
12 |
|
[ADP]D:1608 |
27 |
1 |
539 |
f |
D |
x,y,z |
1_555 |
45 |
19 |
21903 |
346.0 |
-4.8 |
0.553 |
12 |
0 |
0 |
0.077 |
| Average: |
347.6 |
-4.6 |
0.565 |
13 |
0 |
0 |
0.077 |
| 10 |
13 |
|
[ADP]A:1604 |
26 |
1 |
544 |
f |
A |
x,y,z |
1_555 |
47 |
19 |
21686 |
346.7 |
-4.5 |
0.523 |
13 |
0 |
0 |
0.080 |
14 |
|
[ADP]E:1604 |
27 |
1 |
541 |
f |
E |
x,y,z |
1_555 |
45 |
19 |
21552 |
346.1 |
-4.4 |
0.598 |
12 |
0 |
0 |
0.080 |
| Average: |
346.4 |
-4.4 |
0.561 |
13 |
0 |
0 |
0.080 |
| 11 |
15 |
|
[ADP]C:1608 |
27 |
1 |
545 |
f |
C |
x,y,z |
1_555 |
47 |
19 |
21568 |
342.7 |
-4.8 |
0.487 |
11 |
0 |
0 |
0.075 |
16 |
|
[ADP]F:1607 |
25 |
1 |
541 |
f |
F |
x,y,z |
1_555 |
48 |
20 |
21726 |
330.1 |
-4.9 |
0.431 |
11 |
0 |
0 |
0.075 |
| Average: |
336.4 |
-4.9 |
0.459 |
11 |
0 |
0 |
0.075 |
| 12 |
17 |
|
B |
20 |
6 |
22010 |
◊ |
E |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
25 |
9 |
21552 |
210.2 |
0.2 |
0.349 |
0 |
0 |
0 |
0.000 |
| 13 |
18 |
|
E |
29 |
8 |
21552 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
21686 |
193.7 |
2.1 |
0.779 |
1 |
3 |
0 |
0.000 |
| 14 |
19 |
|
F |
21 |
7 |
21726 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
22010 |
166.8 |
3.0 |
0.844 |
0 |
1 |
0 |
0.000 |
20 |
|
C |
19 |
6 |
21568 |
◊ |
D |
-y+1,-x+1,-z+1/2 |
8_665 |
20 |
7 |
21903 |
149.0 |
2.3 |
0.793 |
1 |
1 |
0 |
0.000 |
| Average: |
157.9 |
2.6 |
0.819 |
1 |
1 |
0 |
0.000 |
| 15 |
21 |
|
C |
16 |
5 |
21568 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
18 |
5 |
22010 |
148.7 |
-0.8 |
0.166 |
0 |
0 |
0 |
0.004 |
| 16 |
22 |
|
C |
13 |
4 |
21568 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
17 |
5 |
21686 |
125.6 |
0.7 |
0.658 |
1 |
0 |
0 |
0.000 |
| 17 |
23 |
|
F |
17 |
5 |
21726 |
◊ |
C |
y,x,-z+1 |
7_556 |
17 |
7 |
21568 |
124.3 |
2.4 |
0.826 |
1 |
1 |
0 |
0.000 |
| 18 |
24 |
|
F |
12 |
3 |
21726 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
21903 |
103.7 |
-2.1 |
0.165 |
0 |
0 |
0 |
0.010 |
| 19 |
25 |
|
C |
11 |
3 |
21568 |
◊ |
D |
-y+1/2,x+1/2,z+1/4 |
3_555 |
8 |
3 |
21903 |
75.4 |
0.6 |
0.615 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
9 |
5 |
22010 |
◊ |
F |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
6 |
3 |
21726 |
52.0 |
0.9 |
0.762 |
0 |
0 |
0 |
0.000 |
| Average: |
63.7 |
0.8 |
0.688 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
D |
8 |
3 |
21903 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
21686 |
65.2 |
1.3 |
0.794 |
0 |
0 |
0 |
0.000 |
28 |
|
B |
8 |
3 |
22010 |
◊ |
E |
x,y,z |
1_555 |
9 |
2 |
21552 |
64.9 |
0.9 |
0.751 |
0 |
0 |
0 |
0.000 |
| Average: |
65.1 |
1.1 |
0.772 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
E |
5 |
2 |
21552 |
◊ |
F |
x-1/2,-y+1/2,-z+3/4 |
6_455 |
7 |
3 |
21726 |
60.1 |
1.3 |
0.725 |
1 |
0 |
0 |
0.000 |
| 22 |
30 |
|
F |
6 |
1 |
21726 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
21568 |
58.1 |
0.9 |
0.775 |
0 |
0 |
0 |
0.000 |
| 23 |
31 |
|
[ZN]C:1607 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
21568 |
51.5 |
-37.4 |
0.000 |
0 |
0 |
0 |
0.291 |
32 |
|
[ZN]F:1606 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
21726 |
50.2 |
-35.2 |
0.000 |
0 |
0 |
0 |
0.291 |
| Average: |
50.8 |
-36.3 |
0.000 |
0 |
0 |
0 |
0.291 |
| 24 |
33 |
|
[ZN]B:1606 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22010 |
50.8 |
-34.1 |
0.000 |
0 |
0 |
0 |
0.282 |
34 |
|
[ZN]D:1607 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
21903 |
50.5 |
-38.2 |
0.000 |
0 |
0 |
0 |
0.282 |
| Average: |
50.6 |
-36.2 |
0.000 |
0 |
0 |
0 |
0.282 |
| 25 |
35 |
|
[ZN]E:1603 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
6 |
5 |
21552 |
50.6 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.279 |
36 |
|
[ZN]A:1603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
21686 |
50.6 |
-35.8 |
0.000 |
0 |
0 |
0 |
0.279 |
| Average: |
50.6 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.279 |
| 26 |
37 |
|
[MG]C:1609 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
21568 |
48.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.046 |
38 |
|
[MG]F:1608 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
21726 |
38.7 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
43.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.046 |
| 27 |
39 |
|
[MG]B:1608 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
22010 |
45.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.036 |
40 |
|
[MG]D:1609 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
21903 |
35.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
40.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.036 |
| 28 |
41 |
|
[MG]D:1609 |
1 |
1 |
98 |
f |
[ADP]D:1608 |
x,y,z |
1_555 |
6 |
1 |
539 |
42.8 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.104 |
42 |
|
[MG]F:1608 |
1 |
1 |
98 |
f |
[ADP]F:1607 |
x,y,z |
1_555 |
3 |
1 |
541 |
41.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.104 |
43 |
|
[MG]E:1605 |
1 |
1 |
98 |
f |
[ADP]E:1604 |
x,y,z |
1_555 |
6 |
1 |
541 |
40.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.104 |
44 |
|
[MG]A:1605 |
1 |
1 |
98 |
f |
[ADP]A:1604 |
x,y,z |
1_555 |
4 |
1 |
544 |
34.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.104 |
45 |
|
[MG]B:1608 |
1 |
1 |
98 |
f |
[ADP]B:1607 |
x,y,z |
1_555 |
4 |
1 |
546 |
32.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.104 |
46 |
|
[MG]C:1609 |
1 |
1 |
98 |
f |
[ADP]C:1608 |
x,y,z |
1_555 |
5 |
1 |
545 |
32.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.104 |
| Average: |
37.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.104 |
| 29 |
47 |
|
[MG]A:1605 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
21686 |
42.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.033 |
48 |
|
[MG]E:1605 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
21552 |
40.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.033 |
| Average: |
41.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.033 |
| 30 |
49 |
|
B |
3 |
2 |
22010 |
◊ |
E |
-y,-x+1,-z+1/2 |
8_565 |
3 |
1 |
21552 |
11.0 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
A |
1 |
1 |
21686 |
x |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
21686 |
10.4 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
F |
2 |
1 |
21726 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21686 |
4.8 |
0.3 |
0.798 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
E |
2 |
2 |
21552 |
x |
E |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
2 |
21552 |
4.4 |
0.0 |
0.647 |
0 |
0 |
0 |
0.000 |
|