## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
81 |
26 |
24698 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
67 |
23 |
24698 |
690.3 |
-3.5 |
0.473 |
7 |
1 |
0 |
0.000 |
2 |
|
[HEM]A:621 |
43 |
1 |
830 |
cf |
A |
x,y,z |
1_555 |
77 |
29 |
24698 |
584.9 |
-20.0 |
0.624 |
4 |
0 |
0 |
0.171 |
3 |
|
A |
43 |
12 |
24698 |
x |
A |
-x,y-1/2,-z |
2_545 |
52 |
17 |
24698 |
435.5 |
0.6 |
0.638 |
6 |
4 |
0 |
0.000 |
4 |
|
A |
54 |
19 |
24698 |
x |
A |
x-1,y,z |
1_455 |
44 |
15 |
24698 |
413.6 |
-6.9 |
0.079 |
3 |
2 |
0 |
0.000 |
5 |
|
A |
30 |
12 |
24698 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
24698 |
178.1 |
0.3 |
0.587 |
1 |
0 |
0 |
0.000 |
6 |
|
[NAG]A:604 |
12 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
19 |
9 |
24698 |
174.4 |
3.6 |
0.396 |
3 |
0 |
0 |
0.000 |
7 |
|
[NAG]A:601 |
14 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
18 |
7 |
24698 |
163.3 |
4.4 |
0.367 |
2 |
0 |
0 |
0.000 |
8 |
|
[NAG]A:606 |
13 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
21 |
7 |
24698 |
138.1 |
2.6 |
0.243 |
0 |
0 |
0 |
0.000 |
9 |
|
[SCN]A:622 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
24698 |
102.8 |
-2.8 |
0.631 |
1 |
0 |
0 |
0.026 |
10 |
|
[NAG]A:602 |
8 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
24698 |
98.3 |
2.2 |
0.409 |
0 |
0 |
0 |
0.000 |
11 |
|
[NO3]A:619 |
4 |
1 |
157 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
24698 |
95.2 |
1.1 |
0.528 |
1 |
0 |
0 |
0.000 |
12 |
|
[SCN]A:623 |
3 |
1 |
178 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
24698 |
95.2 |
-0.6 |
0.736 |
0 |
0 |
0 |
0.005 |
13 |
|
[NO3]A:618 |
4 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
24698 |
92.5 |
1.4 |
0.489 |
3 |
0 |
0 |
0.000 |
14 |
|
[SCN]A:624 |
3 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
24698 |
92.3 |
-2.8 |
0.520 |
0 |
0 |
0 |
0.022 |
15 |
|
[IOD]A:613 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
24698 |
92.3 |
-0.2 |
0.735 |
0 |
0 |
0 |
0.001 |
16 |
|
[SCN]A:625 |
3 |
1 |
177 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
24698 |
89.9 |
-2.1 |
0.625 |
1 |
0 |
0 |
0.020 |
17 |
|
[IOD]A:614 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
24698 |
85.4 |
0.6 |
0.864 |
0 |
0 |
0 |
0.000 |
18 |
|
[NAG]A:609 |
12 |
1 |
367 |
cf |
A |
x,y,z |
1_555 |
12 |
4 |
24698 |
85.1 |
1.9 |
0.223 |
0 |
0 |
0 |
0.000 |
19 |
|
[IOD]A:626 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
24698 |
83.9 |
-0.3 |
0.688 |
0 |
0 |
0 |
0.002 |
20 |
|
[NO3]A:617 |
4 |
1 |
165 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
24698 |
80.6 |
1.1 |
0.453 |
1 |
0 |
0 |
0.000 |
21 |
|
[IOD]A:615 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
24698 |
80.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.005 |
22 |
|
[IOD]A:612 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
24698 |
76.6 |
-0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
23 |
|
[NO3]A:620 |
4 |
1 |
164 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
24698 |
73.9 |
1.2 |
0.514 |
0 |
0 |
0 |
0.000 |
24 |
|
[NAG]A:605 |
10 |
1 |
356 |
cf |
[NAG]A:604 |
x,y,z |
1_555 |
5 |
1 |
358 |
72.7 |
1.7 |
0.078 |
1 |
0 |
0 |
0.000 |
25 |
|
[NAG]A:607 |
8 |
1 |
355 |
cf |
[NAG]A:606 |
x,y,z |
1_555 |
7 |
1 |
364 |
70.9 |
1.9 |
0.109 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]A:610 |
9 |
1 |
361 |
cf |
[NAG]A:609 |
x,y,z |
1_555 |
7 |
1 |
367 |
70.5 |
1.2 |
0.068 |
1 |
0 |
0 |
0.000 |
27 |
|
[IOD]A:616 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
24698 |
67.1 |
-0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
28 |
|
[MAN]A:608 |
7 |
1 |
292 |
cf |
[NAG]A:607 |
x,y,z |
1_555 |
7 |
1 |
355 |
66.7 |
0.9 |
0.114 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]A:602 |
8 |
1 |
364 |
cf |
[NAG]A:601 |
x,y,z |
1_555 |
7 |
1 |
364 |
65.0 |
1.8 |
0.101 |
0 |
0 |
0 |
0.000 |
30 |
|
[BMA]A:603 |
5 |
1 |
295 |
cf |
[NAG]A:602 |
x,y,z |
1_555 |
8 |
1 |
364 |
61.4 |
1.1 |
0.103 |
0 |
0 |
0 |
0.000 |
31 |
|
[SCN]A:625 |
3 |
1 |
177 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
4 |
24698 |
57.3 |
-1.2 |
0.539 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
6 |
3 |
24698 |
◊ |
[NAG]A:606 |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
1 |
364 |
56.4 |
0.6 |
0.215 |
0 |
0 |
0 |
0.000 |
33 |
|
[SCN]A:624 |
3 |
1 |
179 |
f |
[HEM]A:621 |
x,y,z |
1_555 |
13 |
1 |
830 |
55.0 |
-2.7 |
0.770 |
0 |
0 |
0 |
0.021 |
34 |
|
[NAG]A:605 |
3 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
24698 |
51.7 |
0.9 |
0.488 |
2 |
0 |
0 |
0.000 |
35 |
|
A |
7 |
2 |
24698 |
f |
[NO3]A:620 |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
1 |
164 |
39.2 |
0.7 |
0.856 |
0 |
0 |
0 |
0.000 |
36 |
|
[NO3]A:618 |
4 |
1 |
163 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
3 |
2 |
24698 |
35.8 |
0.5 |
0.848 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAG]A:607 |
5 |
1 |
355 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
24698 |
29.2 |
0.4 |
0.197 |
0 |
0 |
0 |
0.000 |
38 |
|
A |
3 |
2 |
24698 |
f |
[NO3]A:617 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
165 |
22.6 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
39 |
|
A |
3 |
1 |
24698 |
◊ |
[SCN]A:623 |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
178 |
20.9 |
-0.5 |
0.423 |
0 |
0 |
0 |
0.000 |
40 |
|
A |
3 |
2 |
24698 |
◊ |
[NAG]A:607 |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
355 |
20.2 |
0.2 |
0.329 |
0 |
0 |
0 |
0.000 |
41 |
|
[NAG]A:610 |
3 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
24698 |
20.0 |
0.3 |
0.282 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
3 |
1 |
24698 |
f |
[IOD]A:616 |
x-1,y,z |
1_455 |
1 |
1 |
144 |
18.3 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.002 |
43 |
|
[NAG]A:610 |
3 |
1 |
361 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
24698 |
17.7 |
0.4 |
0.333 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
2 |
1 |
24698 |
◊ |
[NAG]A:601 |
x-1,y,z |
1_455 |
1 |
1 |
364 |
9.2 |
-0.0 |
0.347 |
0 |
0 |
0 |
0.000 |
45 |
|
A |
1 |
1 |
24698 |
◊ |
[SCN]A:622 |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
178 |
5.4 |
-0.2 |
0.733 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]A:610 |
1 |
1 |
361 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
24698 |
4.4 |
-0.0 |
0.210 |
0 |
0 |
0 |
0.000 |
47 |
|
A |
1 |
1 |
24698 |
f |
[IOD]A:614 |
-x,y-1/2,-z |
2_545 |
1 |
1 |
144 |
2.6 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
48 |
|
[MAN]A:608 |
1 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
24698 |
0.2 |
0.0 |
0.337 |
0 |
0 |
0 |
0.000 |
|