| ## |
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 |
77 |
26 |
10856 |
◊ |
A |
x,y,z-1 |
1_554 |
63 |
20 |
10779 |
644.4 |
-2.3 |
0.516 |
5 |
4 |
0 |
0.000 |
2 |
|
B |
63 |
19 |
10856 |
◊ |
A |
x,y,z |
1_555 |
74 |
25 |
10779 |
631.9 |
-2.7 |
0.504 |
7 |
6 |
0 |
0.000 |
| Average: |
638.2 |
-2.5 |
0.510 |
6 |
5 |
0 |
0.000 |
| 2 |
3 |
|
A |
39 |
13 |
10779 |
◊ |
B |
x,y-1,z |
1_545 |
38 |
15 |
10856 |
317.9 |
-0.6 |
0.579 |
7 |
1 |
0 |
0.000 |
| 3 |
4 |
|
B |
30 |
11 |
10856 |
x |
B |
x-1,y,z |
1_455 |
29 |
13 |
10856 |
234.7 |
1.8 |
0.851 |
2 |
0 |
0 |
0.000 |
5 |
|
A |
30 |
14 |
10779 |
x |
A |
x-1,y,z |
1_455 |
26 |
9 |
10779 |
230.5 |
1.2 |
0.781 |
1 |
0 |
0 |
0.000 |
| Average: |
232.6 |
1.5 |
0.816 |
2 |
0 |
0 |
0.000 |
| 4 |
6 |
|
[AMP]A:701 |
22 |
1 |
474 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
10779 |
230.7 |
-0.3 |
0.501 |
3 |
0 |
0 |
0.001 |
7 |
|
[AMP]B:701 |
21 |
1 |
472 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
10856 |
228.1 |
-0.6 |
0.453 |
3 |
0 |
0 |
0.001 |
| Average: |
229.4 |
-0.5 |
0.477 |
3 |
0 |
0 |
0.001 |
| 5 |
8 |
|
A |
27 |
9 |
10779 |
x |
A |
x-1,y-1,z |
1_445 |
28 |
9 |
10779 |
212.7 |
-1.4 |
0.418 |
1 |
0 |
0 |
0.000 |
| 6 |
9 |
|
[NAG]A:501 |
13 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
25 |
11 |
10779 |
181.3 |
3.6 |
0.360 |
2 |
0 |
0 |
0.000 |
| 7 |
10 |
|
A |
25 |
8 |
10779 |
◊ |
[ETE]A:1101 |
x-1,y-1,z |
1_445 |
13 |
1 |
437 |
176.5 |
-3.0 |
0.355 |
2 |
0 |
0 |
0.000 |
| 8 |
11 |
|
[NAG]A:502 |
13 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
20 |
7 |
10779 |
161.9 |
3.7 |
0.326 |
3 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[BTB]A:1002 |
10 |
1 |
340 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
10779 |
140.8 |
2.5 |
0.094 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[BTB]B:1002 |
11 |
1 |
346 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
10856 |
139.4 |
2.8 |
0.138 |
1 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[ETE]A:1101 |
9 |
1 |
437 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
10779 |
129.1 |
-0.3 |
0.614 |
0 |
0 |
0 |
0.000 |
| 12 |
15 |
|
B |
19 |
7 |
10856 |
◊ |
[BTB]A:1002 |
x,y,z-1 |
1_554 |
9 |
1 |
340 |
115.2 |
2.8 |
0.177 |
1 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[BTB]B:1002 |
9 |
1 |
346 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
10779 |
114.9 |
2.7 |
0.201 |
1 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[BTB]A:1001 |
7 |
1 |
346 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
10779 |
98.8 |
2.2 |
0.222 |
6 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[BTB]B:1001 |
7 |
1 |
346 |
◊ |
A |
x-1,y,z-1 |
1_454 |
10 |
3 |
10779 |
98.2 |
2.6 |
0.255 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
B |
10 |
3 |
10856 |
◊ |
[BTB]A:1001 |
x-1,y,z |
1_455 |
7 |
1 |
346 |
97.3 |
2.2 |
0.218 |
2 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[BTB]B:1001 |
7 |
1 |
346 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
10856 |
97.0 |
1.7 |
0.122 |
7 |
0 |
0 |
0.000 |
| 18 |
21 |
|
A |
9 |
3 |
10779 |
◊ |
B |
x-1,y-1,z |
1_445 |
14 |
7 |
10856 |
91.9 |
0.0 |
0.453 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[PO4]A:601 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
10779 |
84.1 |
-6.6 |
0.205 |
5 |
0 |
0 |
0.005 |
| 20 |
23 |
|
[PO4]B:601 |
5 |
1 |
189 |
f |
B |
x,y,z |
1_555 |
20 |
12 |
10856 |
83.6 |
-6.6 |
0.250 |
6 |
0 |
0 |
0.006 |
| 21 |
24 |
|
[NAG]A:502 |
8 |
1 |
361 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
3 |
10779 |
80.2 |
1.2 |
0.249 |
0 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[BTB]B:1001 |
5 |
1 |
346 |
◊ |
[AMP]A:701 |
x,y,z-1 |
1_554 |
6 |
1 |
474 |
52.2 |
1.6 |
0.170 |
0 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[BTB]A:1001 |
5 |
1 |
346 |
◊ |
[AMP]B:701 |
x,y,z |
1_555 |
5 |
1 |
472 |
50.1 |
1.8 |
0.187 |
0 |
0 |
0 |
0.000 |
| 24 |
27 |
|
B |
8 |
5 |
10856 |
◊ |
[AMP]B:701 |
x-1,y,z |
1_455 |
5 |
1 |
472 |
49.3 |
-0.9 |
0.497 |
0 |
0 |
0 |
0.000 |
28 |
|
[AMP]A:701 |
5 |
1 |
474 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
10779 |
45.9 |
-1.0 |
0.500 |
0 |
0 |
0 |
0.000 |
| Average: |
47.6 |
-1.0 |
0.498 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[NA]A:802 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10779 |
44.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 26 |
30 |
|
B |
4 |
1 |
10856 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
5 |
2 |
10779 |
43.8 |
-0.7 |
0.297 |
0 |
0 |
0 |
0.000 |
| 27 |
31 |
|
[NA]A:801 |
1 |
1 |
125 |
f |
[AMP]A:701 |
x,y,z |
1_555 |
6 |
1 |
474 |
39.1 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.003 |
32 |
|
[NA]B:801 |
1 |
1 |
125 |
f |
[AMP]B:701 |
x,y,z |
1_555 |
6 |
1 |
472 |
38.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
38.8 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 28 |
33 |
|
B |
6 |
3 |
10856 |
x |
B |
x-1,y-1,z |
1_445 |
6 |
4 |
10856 |
38.9 |
-0.5 |
0.423 |
0 |
0 |
0 |
0.000 |
| 29 |
34 |
|
[ETE]A:1101 |
6 |
1 |
437 |
f |
[NA]A:802 |
x,y,z |
1_555 |
1 |
1 |
125 |
38.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.002 |
| 30 |
35 |
|
[NAG]A:502 |
3 |
1 |
361 |
◊ |
B |
x-1,y-1,z |
1_445 |
5 |
2 |
10856 |
37.5 |
1.5 |
0.633 |
0 |
0 |
0 |
0.000 |
| 31 |
36 |
|
[NA]B:801 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
10856 |
37.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.003 |
37 |
|
[NA]A:801 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
10779 |
36.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
36.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.003 |
| 32 |
38 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
10856 |
35.2 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.015 |
39 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
10779 |
34.9 |
-24.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
35.1 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 33 |
40 |
|
[BTB]A:1002 |
4 |
1 |
340 |
f |
[CA]A:902 |
x,y,z |
1_555 |
1 |
1 |
85 |
33.0 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.009 |
41 |
|
[BTB]B:1002 |
4 |
1 |
346 |
f |
[CA]B:902 |
x,y,z |
1_555 |
1 |
1 |
85 |
32.6 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.009 |
42 |
|
[BTB]A:1001 |
4 |
1 |
346 |
f |
[CA]A:901 |
x,y,z |
1_555 |
1 |
1 |
85 |
30.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.009 |
43 |
|
[BTB]B:1001 |
4 |
1 |
346 |
f |
[CA]B:901 |
x,y,z |
1_555 |
1 |
1 |
85 |
29.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
31.4 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 34 |
44 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
10779 |
32.7 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.015 |
45 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
10856 |
32.3 |
-24.6 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
32.5 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.015 |
| 35 |
46 |
|
B |
6 |
3 |
10856 |
◊ |
[NA]B:801 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
30.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[NA]A:801 |
1 |
1 |
125 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
10779 |
28.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
29.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
48 |
|
[ZN]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
10856 |
29.9 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.014 |
49 |
|
[ZN]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
10779 |
29.8 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
29.9 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.014 |
| 37 |
50 |
|
[CA]A:901 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10779 |
28.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.003 |
51 |
|
[CA]B:901 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
10856 |
27.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
27.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.003 |
| 38 |
52 |
|
A |
7 |
3 |
10779 |
◊ |
[NA]A:802 |
x-1,y-1,z |
1_445 |
1 |
1 |
125 |
27.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
53 |
|
[CA]A:903 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
10779 |
27.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.002 |
| 40 |
54 |
|
[CA]A:902 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
10779 |
26.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.002 |
55 |
|
[CA]B:902 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10856 |
24.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
25.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.002 |
| 41 |
56 |
|
[PO4]A:601 |
3 |
1 |
189 |
cf |
[ZN]A:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.007 |
57 |
|
[PO4]B:601 |
3 |
1 |
189 |
f |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.2 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
23.7 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.007 |
| 42 |
58 |
|
[PO4]B:601 |
3 |
1 |
189 |
f |
[ZN]B:402 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.007 |
| 43 |
59 |
|
[PO4]A:601 |
3 |
1 |
189 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.007 |
60 |
|
[PO4]B:601 |
3 |
1 |
189 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
23.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.007 |
| Average: |
23.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.007 |
| 44 |
61 |
|
[PO4]A:601 |
3 |
1 |
189 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.9 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.006 |
| 45 |
62 |
|
B |
3 |
1 |
10856 |
◊ |
A |
x-1,y,z-1 |
1_454 |
3 |
1 |
10779 |
16.1 |
-0.1 |
0.463 |
0 |
0 |
0 |
0.000 |
63 |
|
B |
3 |
1 |
10856 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
10779 |
15.9 |
-0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| Average: |
16.0 |
-0.1 |
0.432 |
0 |
0 |
0 |
0.000 |
| 46 |
64 |
|
[CA]A:903 |
1 |
1 |
85 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
2 |
10856 |
12.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 47 |
65 |
|
[ZN]A:402 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.5 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.005 |
| 48 |
66 |
|
[CA]A:903 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
10856 |
11.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 49 |
67 |
|
[ZN]B:402 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.006 |
| 50 |
68 |
|
[BTB]B:1001 |
3 |
1 |
346 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
10779 |
11.1 |
-0.3 |
0.043 |
0 |
0 |
0 |
0.000 |
| 51 |
69 |
|
[CA]B:902 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10779 |
11.0 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
B |
3 |
2 |
10856 |
◊ |
[CA]A:902 |
x,y,z-1 |
1_554 |
1 |
1 |
85 |
8.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
9.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 52 |
71 |
|
[AMP]B:701 |
1 |
1 |
472 |
f |
[ZN]B:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.002 |
72 |
|
[AMP]A:701 |
1 |
1 |
474 |
f |
[ZN]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| Average: |
10.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.002 |
| 53 |
73 |
|
B |
3 |
1 |
10856 |
◊ |
[CA]A:901 |
x-1,y,z |
1_455 |
1 |
1 |
85 |
9.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
|
[CA]B:901 |
1 |
1 |
85 |
◊ |
A |
x-1,y,z-1 |
1_454 |
3 |
1 |
10779 |
8.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
8.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 54 |
75 |
|
B |
3 |
1 |
10856 |
◊ |
[AMP]A:701 |
x,y,z-1 |
1_554 |
1 |
1 |
474 |
6.6 |
-0.2 |
0.356 |
0 |
0 |
0 |
0.000 |
76 |
|
[AMP]B:701 |
1 |
1 |
472 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
10779 |
6.2 |
-0.2 |
0.347 |
0 |
0 |
0 |
0.000 |
| Average: |
6.4 |
-0.2 |
0.351 |
0 |
0 |
0 |
0.000 |
| 55 |
77 |
|
[ZN]A:403 |
1 |
1 |
98 |
f |
[ZN]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 56 |
78 |
|
[ZN]B:403 |
1 |
1 |
98 |
f |
[ZN]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
5.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.003 |
| 57 |
79 |
|
[AMP]B:701 |
1 |
1 |
472 |
f |
[PO4]B:601 |
x,y,z |
1_555 |
1 |
1 |
189 |
4.5 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
| 58 |
80 |
|
[BTB]A:1001 |
2 |
1 |
346 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
10856 |
4.4 |
-0.0 |
0.201 |
0 |
0 |
0 |
0.000 |
| 59 |
81 |
|
[AMP]A:701 |
1 |
1 |
474 |
f |
[PO4]A:601 |
x,y,z |
1_555 |
1 |
1 |
189 |
4.0 |
-0.0 |
0.646 |
0 |
0 |
0 |
0.000 |
| 60 |
82 |
|
A |
1 |
1 |
10779 |
◊ |
[ETE]A:1101 |
x-1,y,z |
1_455 |
1 |
1 |
437 |
0.8 |
-0.0 |
0.495 |
0 |
0 |
0 |
0.000 |
|