## |
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 |
|
C |
83 |
22 |
8765 |
◊ |
A |
x,y,z |
1_555 |
82 |
21 |
8759 |
810.7 |
0.5 |
0.627 |
21 |
8 |
1 |
0.283 |
2 |
|
T |
88 |
21 |
8882 |
◊ |
Q |
x,y,z |
1_555 |
90 |
23 |
8923 |
792.3 |
-2.2 |
0.466 |
19 |
6 |
1 |
0.283 |
3 |
|
N |
82 |
21 |
8841 |
◊ |
K |
x,y,z |
1_555 |
71 |
19 |
8866 |
734.3 |
1.4 |
0.694 |
22 |
6 |
1 |
0.283 |
4 |
|
G |
74 |
20 |
8794 |
◊ |
E |
x,y,z |
1_555 |
80 |
23 |
8913 |
722.6 |
0.1 |
0.588 |
17 |
5 |
1 |
0.283 |
Average: |
765.0 |
-0.0 |
0.594 |
20 |
6 |
1 |
0.283 |
2 |
5 |
|
T |
54 |
16 |
8882 |
◊ |
K |
x,y,z |
1_555 |
41 |
12 |
8866 |
415.2 |
-4.2 |
0.256 |
3 |
2 |
1 |
0.178 |
6 |
|
E |
41 |
14 |
8913 |
◊ |
C |
x,y,z |
1_555 |
41 |
13 |
8765 |
397.5 |
-2.6 |
0.298 |
3 |
2 |
1 |
0.178 |
7 |
|
G |
46 |
18 |
8794 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
8759 |
393.8 |
-2.9 |
0.333 |
4 |
2 |
1 |
0.178 |
8 |
|
Q |
36 |
12 |
8923 |
◊ |
N |
x,y,z |
1_555 |
43 |
14 |
8841 |
340.2 |
-3.0 |
0.333 |
5 |
0 |
1 |
0.178 |
Average: |
386.7 |
-3.2 |
0.305 |
4 |
2 |
1 |
0.178 |
3 |
9 |
|
T |
39 |
12 |
8882 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
37 |
14 |
8794 |
344.9 |
4.1 |
0.804 |
6 |
5 |
0 |
0.000 |
4 |
10 |
|
M |
29 |
6 |
1137 |
◊ |
K |
x,y,z |
1_555 |
40 |
14 |
8866 |
311.6 |
-0.9 |
0.550 |
2 |
3 |
0 |
0.078 |
11 |
|
L |
25 |
6 |
1151 |
◊ |
G |
x,y,z |
1_555 |
41 |
13 |
8794 |
305.7 |
-1.6 |
0.488 |
2 |
2 |
0 |
0.078 |
Average: |
308.6 |
-1.2 |
0.519 |
2 |
3 |
0 |
0.078 |
5 |
12 |
|
B |
29 |
6 |
1105 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
8759 |
288.3 |
0.5 |
0.591 |
3 |
2 |
0 |
0.010 |
6 |
13 |
|
H |
23 |
4 |
785 |
◊ |
T |
x,y,z |
1_555 |
38 |
15 |
8882 |
288.1 |
0.1 |
0.584 |
5 |
3 |
0 |
0.069 |
7 |
14 |
|
J |
23 |
5 |
942 |
◊ |
N |
x,y,z |
1_555 |
45 |
15 |
8841 |
282.8 |
-2.8 |
0.440 |
3 |
2 |
0 |
0.148 |
8 |
15 |
|
D |
24 |
6 |
1147 |
◊ |
C |
x,y,z |
1_555 |
35 |
15 |
8765 |
273.6 |
-0.6 |
0.579 |
2 |
3 |
0 |
0.074 |
9 |
16 |
|
I |
19 |
4 |
813 |
◊ |
Q |
x,y,z |
1_555 |
37 |
13 |
8923 |
263.1 |
-2.2 |
0.364 |
3 |
4 |
0 |
0.194 |
17 |
|
F |
19 |
4 |
713 |
◊ |
E |
x,y,z |
1_555 |
36 |
12 |
8913 |
254.1 |
-0.1 |
0.489 |
2 |
2 |
0 |
0.194 |
Average: |
258.6 |
-1.1 |
0.427 |
3 |
3 |
0 |
0.194 |
10 |
18 |
|
[KCR]M:18 |
14 |
1 |
433 |
◊ |
K |
x,y,z |
1_555 |
36 |
11 |
8866 |
249.1 |
-4.1 |
0.487 |
3 |
0 |
0 |
0.263 |
19 |
|
[KCR]I:18 |
14 |
1 |
428 |
◊ |
Q |
x,y,z |
1_555 |
37 |
11 |
8923 |
247.6 |
-3.8 |
0.492 |
4 |
0 |
0 |
0.263 |
20 |
|
[KCR]L:18 |
14 |
1 |
436 |
◊ |
G |
x,y,z |
1_555 |
39 |
12 |
8794 |
245.2 |
-4.0 |
0.472 |
2 |
0 |
0 |
0.263 |
Average: |
247.3 |
-4.0 |
0.484 |
3 |
0 |
0 |
0.263 |
11 |
21 |
|
[KCR]H:18 |
14 |
1 |
434 |
◊ |
T |
x,y,z |
1_555 |
36 |
12 |
8882 |
248.9 |
-3.9 |
0.504 |
3 |
0 |
0 |
0.275 |
22 |
|
[KCR]B:18 |
13 |
1 |
437 |
◊ |
A |
x,y,z |
1_555 |
39 |
12 |
8759 |
242.1 |
-4.2 |
0.466 |
3 |
0 |
0 |
0.275 |
23 |
|
[KCR]F:18 |
14 |
1 |
434 |
◊ |
E |
x,y,z |
1_555 |
35 |
12 |
8913 |
239.9 |
-3.8 |
0.490 |
4 |
0 |
0 |
0.275 |
Average: |
243.6 |
-4.0 |
0.487 |
3 |
0 |
0 |
0.275 |
12 |
24 |
|
[KCR]J:18 |
13 |
1 |
432 |
◊ |
N |
x,y,z |
1_555 |
32 |
10 |
8841 |
236.3 |
-3.2 |
0.576 |
1 |
0 |
0 |
0.121 |
13 |
25 |
|
[KCR]D:18 |
12 |
1 |
438 |
◊ |
C |
x,y,z |
1_555 |
39 |
12 |
8765 |
232.9 |
-4.0 |
0.446 |
4 |
0 |
0 |
0.217 |
14 |
26 |
|
A |
23 |
6 |
8759 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
8794 |
186.7 |
0.1 |
0.523 |
2 |
2 |
0 |
0.004 |
27 |
|
T |
18 |
5 |
8882 |
◊ |
K |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
5 |
8866 |
183.5 |
0.3 |
0.453 |
1 |
0 |
0 |
0.004 |
Average: |
185.1 |
0.2 |
0.488 |
2 |
1 |
0 |
0.004 |
15 |
28 |
|
K |
18 |
6 |
8866 |
◊ |
Q |
-x-1,y-1/2,-z-1 |
2_444 |
20 |
5 |
8923 |
171.6 |
-0.0 |
0.424 |
2 |
0 |
0 |
0.000 |
29 |
|
E |
20 |
5 |
8913 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
19 |
5 |
8759 |
160.3 |
0.1 |
0.445 |
3 |
0 |
0 |
0.000 |
Average: |
165.9 |
0.0 |
0.435 |
3 |
0 |
0 |
0.000 |
16 |
30 |
|
C |
13 |
4 |
8765 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
19 |
5 |
8794 |
130.7 |
0.1 |
0.401 |
2 |
0 |
0 |
0.000 |
31 |
|
T |
17 |
5 |
8882 |
◊ |
N |
-x-1,y-1/2,-z |
2_445 |
13 |
4 |
8841 |
116.1 |
-0.5 |
0.403 |
1 |
0 |
0 |
0.000 |
Average: |
123.4 |
-0.2 |
0.402 |
2 |
0 |
0 |
0.000 |
17 |
32 |
|
[SO4]T:202 |
5 |
1 |
186 |
f |
T |
x,y,z |
1_555 |
17 |
6 |
8882 |
109.3 |
-16.1 |
0.699 |
3 |
0 |
0 |
0.474 |
18 |
33 |
|
E |
10 |
4 |
8913 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
16 |
5 |
8765 |
104.2 |
-1.3 |
0.240 |
0 |
0 |
0 |
0.000 |
34 |
|
N |
14 |
4 |
8841 |
◊ |
Q |
-x-1,y-1/2,-z |
2_445 |
11 |
4 |
8923 |
103.8 |
-0.6 |
0.292 |
0 |
0 |
0 |
0.000 |
Average: |
104.0 |
-1.0 |
0.266 |
0 |
0 |
0 |
0.000 |
19 |
35 |
|
[SO4]K:202 |
5 |
1 |
187 |
f |
K |
x,y,z |
1_555 |
17 |
7 |
8866 |
103.9 |
-14.3 |
0.783 |
2 |
0 |
0 |
0.527 |
20 |
36 |
|
[SO4]G:201 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
8794 |
103.1 |
-15.3 |
0.710 |
2 |
0 |
0 |
0.244 |
21 |
37 |
|
[KCR]L:18 |
6 |
1 |
436 |
cf |
L |
x,y,z |
1_555 |
11 |
3 |
1151 |
96.5 |
-0.7 |
0.669 |
1 |
0 |
0 |
0.100 |
38 |
|
[KCR]M:18 |
6 |
1 |
433 |
cf |
M |
x,y,z |
1_555 |
9 |
2 |
1137 |
90.2 |
-0.2 |
0.728 |
0 |
0 |
0 |
0.100 |
Average: |
93.4 |
-0.5 |
0.698 |
1 |
0 |
0 |
0.100 |
22 |
39 |
|
[KCR]B:18 |
6 |
1 |
437 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
1105 |
95.2 |
-0.3 |
0.711 |
1 |
0 |
0 |
0.100 |
23 |
40 |
|
[KCR]H:18 |
5 |
1 |
434 |
cf |
H |
x,y,z |
1_555 |
10 |
2 |
785 |
92.2 |
-0.6 |
0.673 |
0 |
0 |
0 |
0.100 |
24 |
41 |
|
[KCR]D:18 |
6 |
1 |
438 |
cf |
D |
x,y,z |
1_555 |
12 |
3 |
1147 |
90.3 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
25 |
42 |
|
[SO4]C:203 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
8765 |
89.8 |
-12.6 |
0.594 |
0 |
0 |
0 |
0.472 |
26 |
43 |
|
[KCR]I:18 |
6 |
1 |
428 |
cf |
I |
x,y,z |
1_555 |
9 |
3 |
813 |
87.2 |
-0.5 |
0.648 |
0 |
0 |
0 |
0.100 |
27 |
44 |
|
[KCR]J:18 |
6 |
1 |
432 |
cf |
J |
x,y,z |
1_555 |
11 |
4 |
942 |
87.0 |
-0.4 |
0.746 |
1 |
0 |
0 |
0.100 |
28 |
45 |
|
[SO4]G:203 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
12 |
3 |
8794 |
86.4 |
-12.1 |
0.525 |
0 |
0 |
0 |
0.184 |
29 |
46 |
|
[SO4]N:201 |
4 |
1 |
186 |
f |
N |
x,y,z |
1_555 |
12 |
5 |
8841 |
84.3 |
-12.0 |
0.656 |
2 |
0 |
0 |
0.431 |
30 |
47 |
|
[KCR]F:18 |
6 |
1 |
434 |
cf |
F |
x,y,z |
1_555 |
8 |
2 |
713 |
83.3 |
-0.2 |
0.646 |
0 |
0 |
0 |
0.100 |
31 |
48 |
|
E |
9 |
4 |
8913 |
◊ |
Q |
-x,y-1/2,-z |
2_545 |
7 |
4 |
8923 |
74.6 |
2.0 |
0.840 |
1 |
1 |
0 |
0.000 |
32 |
49 |
|
[SO4]E:201 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
11 |
4 |
8913 |
73.5 |
-9.8 |
0.802 |
2 |
0 |
0 |
0.529 |
33 |
50 |
|
[SO4]G:205 |
5 |
1 |
185 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
8794 |
73.3 |
-9.9 |
0.802 |
2 |
0 |
0 |
0.164 |
34 |
51 |
|
[SO4]G:204 |
5 |
1 |
187 |
f |
G |
x,y,z |
1_555 |
14 |
7 |
8794 |
72.8 |
-10.2 |
0.725 |
1 |
0 |
0 |
0.161 |
35 |
52 |
|
[SO4]Q:201 |
5 |
1 |
186 |
f |
Q |
x,y,z |
1_555 |
10 |
4 |
8923 |
72.6 |
-10.3 |
0.804 |
2 |
0 |
0 |
0.521 |
36 |
53 |
|
[SO4]A:202 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8759 |
72.2 |
-9.5 |
0.786 |
3 |
0 |
0 |
0.217 |
37 |
54 |
|
[SO4]T:201 |
5 |
1 |
186 |
f |
T |
x,y,z |
1_555 |
11 |
5 |
8882 |
71.6 |
-10.0 |
0.736 |
2 |
0 |
0 |
0.297 |
38 |
55 |
|
[SO4]N:202 |
4 |
1 |
187 |
◊ |
Q |
x,y,z |
1_555 |
7 |
3 |
8923 |
62.0 |
-7.1 |
0.843 |
1 |
0 |
0 |
0.140 |
39 |
56 |
|
[SO4]N:202 |
4 |
1 |
187 |
f |
N |
x,y,z |
1_555 |
8 |
3 |
8841 |
58.4 |
-7.2 |
0.796 |
2 |
0 |
0 |
0.271 |
40 |
57 |
|
[SO4]G:202 |
4 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
8794 |
57.3 |
-6.6 |
0.854 |
2 |
0 |
0 |
0.114 |
41 |
58 |
|
[SO4]G:204 |
5 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
8759 |
57.1 |
-5.7 |
0.893 |
3 |
0 |
0 |
0.075 |
42 |
59 |
|
[SO4]N:201 |
5 |
1 |
186 |
◊ |
Q |
x,y,z |
1_555 |
4 |
2 |
8923 |
55.7 |
-4.4 |
0.968 |
1 |
0 |
0 |
0.091 |
43 |
60 |
|
[CU]C:202 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
8765 |
52.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.243 |
44 |
61 |
|
[CU]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
8759 |
50.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.197 |
62 |
|
[CU]K:201 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
4 |
2 |
8866 |
46.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.197 |
63 |
|
[CU]C:201 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
8913 |
23.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.197 |
Average: |
40.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.197 |
45 |
64 |
|
T |
10 |
3 |
8882 |
◊ |
M |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
1137 |
50.2 |
-0.8 |
0.465 |
0 |
0 |
0 |
0.002 |
46 |
65 |
|
[SO4]T:201 |
4 |
1 |
186 |
◊ |
K |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
3 |
8866 |
49.0 |
-4.5 |
0.954 |
1 |
0 |
0 |
0.015 |
47 |
66 |
|
K |
8 |
2 |
8866 |
◊ |
E |
x-1,y,z-1 |
1_454 |
6 |
2 |
8913 |
44.2 |
-0.8 |
0.407 |
0 |
0 |
0 |
0.002 |
48 |
67 |
|
A |
5 |
3 |
8759 |
◊ |
[SO4]G:205 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
185 |
42.6 |
-4.6 |
0.937 |
1 |
0 |
0 |
0.015 |
49 |
68 |
|
T |
6 |
2 |
8882 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
8765 |
41.3 |
0.5 |
0.626 |
0 |
0 |
0 |
0.000 |
50 |
69 |
|
T |
4 |
2 |
8882 |
◊ |
[SO4]G:202 |
-x,y-1/2,-z |
2_545 |
3 |
1 |
186 |
34.1 |
-3.8 |
0.859 |
1 |
0 |
0 |
0.022 |
51 |
70 |
|
[CU]C:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8765 |
33.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.085 |
71 |
|
[CU]K:201 |
1 |
1 |
125 |
◊ |
T |
x,y,z |
1_555 |
2 |
1 |
8882 |
20.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.085 |
72 |
|
[CU]A:201 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
8794 |
13.7 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
22.6 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.085 |
52 |
73 |
|
[SO4]A:202 |
3 |
1 |
187 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
8794 |
33.2 |
-4.1 |
0.525 |
0 |
0 |
0 |
0.012 |
53 |
74 |
|
B |
2 |
1 |
1105 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
8 |
1 |
8794 |
29.5 |
-0.5 |
0.466 |
0 |
0 |
0 |
0.002 |
54 |
75 |
|
[SO4]E:201 |
4 |
1 |
186 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
8759 |
29.1 |
-2.6 |
0.945 |
1 |
0 |
0 |
0.000 |
55 |
76 |
|
[SO4]G:203 |
3 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8913 |
25.7 |
-3.3 |
0.420 |
0 |
0 |
0 |
0.038 |
56 |
77 |
|
E |
5 |
3 |
8913 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
1147 |
22.5 |
-0.5 |
0.464 |
0 |
0 |
0 |
0.000 |
57 |
78 |
|
[CU]C:202 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
8913 |
20.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.038 |
58 |
79 |
|
K |
3 |
1 |
8866 |
◊ |
[SO4]Q:201 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
186 |
17.3 |
-1.9 |
0.587 |
0 |
0 |
0 |
0.000 |
59 |
80 |
|
[SO4]G:203 |
1 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
8759 |
12.2 |
-1.3 |
0.757 |
0 |
0 |
0 |
0.014 |
60 |
81 |
|
J |
2 |
1 |
942 |
◊ |
Q |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
8923 |
7.2 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|