| ## |
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 |
|
K |
72 |
19 |
2754 |
◊ |
D |
x,y,z |
1_555 |
103 |
31 |
7687 |
890.0 |
-19.6 |
0.157 |
2 |
2 |
0 |
1.000 |
2 |
|
J |
73 |
18 |
2670 |
◊ |
C |
x,y,z |
1_555 |
101 |
29 |
7863 |
871.5 |
-20.5 |
0.168 |
1 |
1 |
0 |
1.000 |
3 |
|
G |
71 |
17 |
2207 |
◊ |
F |
x,y,z |
1_555 |
91 |
28 |
7729 |
842.1 |
-18.7 |
0.193 |
2 |
2 |
0 |
1.000 |
4 |
|
L |
70 |
17 |
2233 |
◊ |
E |
x,y,z |
1_555 |
99 |
29 |
7934 |
835.3 |
-18.4 |
0.198 |
1 |
2 |
0 |
1.000 |
5 |
|
H |
70 |
17 |
2309 |
◊ |
A |
x,y,z |
1_555 |
90 |
26 |
7962 |
828.9 |
-19.6 |
0.128 |
2 |
2 |
0 |
1.000 |
6 |
|
I |
75 |
17 |
2320 |
◊ |
B |
x,y,z |
1_555 |
95 |
27 |
7904 |
826.4 |
-19.1 |
0.188 |
1 |
0 |
0 |
1.000 |
| Average: |
849.0 |
-19.3 |
0.172 |
2 |
2 |
0 |
1.000 |
| 2 |
7 |
|
E |
92 |
32 |
7934 |
◊ |
C |
x,y,z |
1_555 |
88 |
30 |
7863 |
775.6 |
-8.1 |
0.528 |
9 |
3 |
1 |
0.546 |
8 |
|
F |
91 |
30 |
7729 |
◊ |
D |
x,y,z |
1_555 |
88 |
29 |
7687 |
765.8 |
-7.5 |
0.559 |
9 |
6 |
1 |
0.546 |
| Average: |
770.7 |
-7.8 |
0.544 |
9 |
5 |
1 |
0.546 |
| 3 |
9 |
|
B |
68 |
23 |
7904 |
◊ |
A |
x,y,z |
1_555 |
73 |
23 |
7962 |
665.4 |
-5.1 |
0.567 |
5 |
10 |
0 |
0.192 |
| 4 |
10 |
|
C |
63 |
17 |
7863 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
45 |
12 |
7962 |
470.4 |
0.2 |
0.796 |
7 |
0 |
0 |
0.000 |
| 5 |
11 |
|
C |
40 |
11 |
7863 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
7962 |
386.0 |
-5.2 |
0.335 |
1 |
1 |
0 |
0.054 |
12 |
|
D |
42 |
12 |
7687 |
◊ |
B |
x,y,z |
1_555 |
43 |
12 |
7904 |
372.6 |
-3.8 |
0.477 |
0 |
1 |
0 |
0.054 |
| Average: |
379.3 |
-4.5 |
0.406 |
1 |
1 |
0 |
0.054 |
| 6 |
13 |
|
E |
31 |
12 |
7934 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
33 |
12 |
7687 |
321.1 |
2.1 |
0.920 |
3 |
1 |
0 |
0.000 |
| 7 |
14 |
|
I |
27 |
8 |
2320 |
◊ |
F |
x,y,z |
1_555 |
36 |
11 |
7729 |
307.8 |
0.4 |
0.846 |
1 |
0 |
0 |
0.021 |
15 |
|
H |
27 |
9 |
2309 |
◊ |
E |
x,y,z |
1_555 |
27 |
10 |
7934 |
241.7 |
-0.9 |
0.833 |
3 |
0 |
0 |
0.021 |
| Average: |
274.7 |
-0.2 |
0.839 |
2 |
0 |
0 |
0.021 |
| 8 |
16 |
|
J |
35 |
9 |
2670 |
◊ |
A |
x,y,z |
1_555 |
32 |
12 |
7962 |
291.0 |
-2.4 |
0.731 |
1 |
3 |
0 |
0.035 |
17 |
|
K |
32 |
8 |
2754 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
7904 |
276.7 |
-3.1 |
0.678 |
2 |
2 |
0 |
0.035 |
| Average: |
283.9 |
-2.8 |
0.704 |
2 |
3 |
0 |
0.035 |
| 9 |
18 |
|
G |
29 |
9 |
2207 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
10 |
7863 |
285.3 |
-0.5 |
0.846 |
3 |
0 |
0 |
0.017 |
19 |
|
D |
31 |
10 |
7687 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
9 |
2233 |
281.4 |
-0.3 |
0.830 |
2 |
0 |
0 |
0.017 |
| Average: |
283.3 |
-0.4 |
0.838 |
3 |
0 |
0 |
0.017 |
| 10 |
20 |
|
K |
28 |
9 |
2754 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
7962 |
284.2 |
-1.3 |
0.589 |
0 |
0 |
0 |
0.012 |
21 |
|
J |
24 |
8 |
2670 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
7904 |
257.1 |
-0.7 |
0.761 |
2 |
0 |
0 |
0.012 |
| Average: |
270.7 |
-1.0 |
0.675 |
1 |
0 |
0 |
0.012 |
| 11 |
22 |
|
F |
17 |
7 |
7729 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
20 |
4 |
2233 |
147.7 |
-0.7 |
0.728 |
0 |
0 |
0 |
0.021 |
23 |
|
G |
19 |
5 |
2207 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
7 |
7934 |
139.0 |
-2.0 |
0.665 |
2 |
0 |
0 |
0.021 |
| Average: |
143.4 |
-1.4 |
0.696 |
1 |
0 |
0 |
0.021 |
| 12 |
24 |
|
F |
17 |
9 |
7729 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
20 |
6 |
7687 |
145.2 |
1.9 |
0.858 |
0 |
1 |
0 |
0.000 |
| 13 |
25 |
|
F |
11 |
6 |
7729 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
6 |
7934 |
111.2 |
-2.6 |
0.203 |
0 |
0 |
0 |
0.015 |
| 14 |
26 |
|
[EDO]B:701 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
7904 |
82.2 |
2.9 |
0.318 |
1 |
0 |
0 |
0.000 |
| 15 |
27 |
|
[SO4]F:702 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
7729 |
81.5 |
-11.6 |
0.758 |
5 |
0 |
0 |
0.411 |
| 16 |
28 |
|
[SO4]E:701 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
7934 |
80.4 |
-11.6 |
0.803 |
3 |
0 |
0 |
0.428 |
| 17 |
29 |
|
I |
6 |
3 |
2320 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
7687 |
79.4 |
-0.4 |
0.619 |
1 |
0 |
0 |
0.009 |
30 |
|
H |
7 |
4 |
2309 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
7863 |
77.3 |
-0.5 |
0.650 |
1 |
0 |
0 |
0.009 |
| Average: |
78.3 |
-0.4 |
0.635 |
1 |
0 |
0 |
0.009 |
| 18 |
31 |
|
E |
7 |
3 |
7934 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
3 |
7962 |
78.4 |
-1.4 |
0.298 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
A |
7 |
3 |
7962 |
x |
A |
x-1,y,z |
1_455 |
7 |
3 |
7962 |
76.9 |
-0.9 |
0.393 |
1 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[SO4]F:701 |
5 |
1 |
185 |
f |
D |
x-1/2,-y+1/2,-z |
4_455 |
9 |
4 |
7687 |
72.0 |
-10.0 |
0.901 |
1 |
0 |
0 |
0.269 |
| 21 |
34 |
|
[SO4]F:701 |
5 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
7729 |
65.5 |
-8.0 |
0.937 |
1 |
0 |
0 |
0.000 |
| 22 |
35 |
|
[CL]D:701 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
7687 |
59.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.197 |
| 23 |
36 |
|
[EDO]B:701 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
7962 |
52.7 |
1.5 |
0.919 |
2 |
0 |
0 |
0.000 |
| 24 |
37 |
|
D |
5 |
2 |
7687 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
7687 |
48.7 |
-0.7 |
0.442 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[SO4]F:702 |
4 |
1 |
186 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
2320 |
38.1 |
-4.1 |
0.866 |
1 |
0 |
0 |
0.037 |
| 26 |
39 |
|
G |
2 |
1 |
2207 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
2233 |
31.6 |
-1.0 |
0.306 |
0 |
0 |
0 |
0.006 |
| 27 |
40 |
|
[SO4]E:701 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
2309 |
30.8 |
-3.6 |
0.750 |
0 |
0 |
0 |
0.034 |
| 28 |
41 |
|
C |
4 |
2 |
7863 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
7904 |
22.9 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
2 |
2 |
7687 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7962 |
3.1 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
| Average: |
13.0 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
B |
4 |
2 |
7904 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
7962 |
18.6 |
-0.5 |
0.336 |
0 |
0 |
0 |
0.000 |
| 30 |
44 |
|
B |
3 |
2 |
7904 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
7934 |
18.4 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
[SO4]F:702 |
1 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7687 |
13.6 |
-1.4 |
0.845 |
0 |
0 |
0 |
0.028 |
| 32 |
46 |
|
[CL]D:701 |
1 |
1 |
125 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
2233 |
10.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.007 |
| 33 |
47 |
|
[SO4]E:701 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7863 |
7.6 |
-0.8 |
0.826 |
0 |
0 |
0 |
0.026 |
| 34 |
48 |
|
F |
1 |
1 |
7729 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
7687 |
6.5 |
-0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
| 35 |
49 |
|
E |
1 |
1 |
7934 |
◊ |
K |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
2754 |
4.7 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[CL]D:701 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7729 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.007 |
|