## |
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 |
|
H |
278 |
73 |
20937 |
◊ |
F |
x,y,z |
1_555 |
280 |
73 |
20985 |
2600.5 |
-7.3 |
0.445 |
53 |
9 |
0 |
0.381 |
2 |
|
G |
275 |
69 |
20764 |
◊ |
E |
x,y,z |
1_555 |
274 |
70 |
20829 |
2584.9 |
-7.9 |
0.424 |
59 |
8 |
0 |
0.381 |
3 |
|
C |
271 |
72 |
20826 |
◊ |
A |
x,y,z |
1_555 |
274 |
70 |
20832 |
2570.8 |
-7.6 |
0.450 |
51 |
8 |
0 |
0.381 |
4 |
|
D |
269 |
70 |
20725 |
◊ |
B |
x,y,z |
1_555 |
278 |
72 |
20969 |
2564.0 |
-7.4 |
0.467 |
54 |
8 |
0 |
0.381 |
Average: |
2580.0 |
-7.5 |
0.446 |
54 |
8 |
0 |
0.381 |
2 |
5 |
|
G |
173 |
45 |
20764 |
◊ |
F |
x,y,z |
1_555 |
171 |
46 |
20985 |
1543.7 |
-11.7 |
0.167 |
25 |
10 |
0 |
0.331 |
6 |
|
H |
166 |
46 |
20937 |
◊ |
E |
x,y,z |
1_555 |
170 |
45 |
20829 |
1497.7 |
-13.3 |
0.106 |
26 |
10 |
0 |
0.331 |
7 |
|
C |
166 |
45 |
20826 |
◊ |
B |
x,y,z |
1_555 |
163 |
43 |
20969 |
1496.9 |
-14.0 |
0.102 |
27 |
10 |
0 |
0.331 |
8 |
|
D |
164 |
45 |
20725 |
◊ |
A |
x,y,z |
1_555 |
165 |
43 |
20832 |
1488.2 |
-13.3 |
0.101 |
26 |
10 |
0 |
0.331 |
Average: |
1506.6 |
-13.1 |
0.119 |
26 |
10 |
0 |
0.331 |
3 |
9 |
|
B |
54 |
15 |
20969 |
◊ |
G |
-x+1/2,-y+1,z-1/2 |
2_564 |
49 |
13 |
20764 |
458.8 |
-0.4 |
0.544 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
48 |
12 |
20832 |
◊ |
H |
-x+1/2,-y+1,z-1/2 |
2_564 |
52 |
14 |
20937 |
450.1 |
-0.3 |
0.565 |
2 |
0 |
0 |
0.000 |
Average: |
454.5 |
-0.4 |
0.555 |
2 |
0 |
0 |
0.000 |
4 |
11 |
|
E |
51 |
13 |
20829 |
◊ |
C |
x,y,z |
1_555 |
51 |
18 |
20826 |
453.0 |
1.0 |
0.688 |
3 |
1 |
0 |
0.000 |
5 |
12 |
|
H |
29 |
8 |
20937 |
x |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
36 |
11 |
20937 |
323.8 |
-0.9 |
0.391 |
2 |
1 |
0 |
0.000 |
6 |
13 |
|
C |
33 |
10 |
20826 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
31 |
9 |
20725 |
296.0 |
0.3 |
0.615 |
2 |
4 |
0 |
0.000 |
14 |
|
C |
32 |
10 |
20826 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
29 |
10 |
20725 |
260.7 |
-0.2 |
0.574 |
2 |
2 |
0 |
0.000 |
Average: |
278.4 |
0.0 |
0.594 |
2 |
3 |
0 |
0.000 |
7 |
15 |
|
G |
36 |
10 |
20764 |
x |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
27 |
9 |
20764 |
268.3 |
-0.8 |
0.433 |
2 |
4 |
0 |
0.000 |
8 |
16 |
|
F |
29 |
9 |
20985 |
◊ |
E |
x-1,y,z |
1_455 |
30 |
10 |
20829 |
239.5 |
-1.5 |
0.421 |
4 |
0 |
0 |
0.000 |
9 |
17 |
|
B |
20 |
9 |
20969 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
23 |
9 |
20985 |
198.2 |
1.1 |
0.656 |
2 |
0 |
0 |
0.000 |
10 |
18 |
|
E |
32 |
11 |
20829 |
◊ |
D |
x,y,z |
1_555 |
21 |
6 |
20725 |
198.2 |
3.9 |
0.893 |
2 |
2 |
0 |
0.000 |
11 |
19 |
|
F |
22 |
7 |
20985 |
◊ |
E |
x,y,z |
1_555 |
21 |
6 |
20829 |
194.7 |
-2.8 |
0.212 |
0 |
0 |
0 |
0.024 |
20 |
|
B |
23 |
7 |
20969 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
20832 |
177.8 |
-3.2 |
0.171 |
0 |
0 |
0 |
0.024 |
21 |
|
D |
22 |
7 |
20725 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
20826 |
168.9 |
-3.1 |
0.189 |
0 |
0 |
0 |
0.024 |
22 |
|
H |
20 |
7 |
20937 |
◊ |
G |
x,y,z |
1_555 |
19 |
7 |
20764 |
160.7 |
-2.9 |
0.178 |
0 |
0 |
0 |
0.024 |
Average: |
175.5 |
-3.0 |
0.187 |
0 |
0 |
0 |
0.024 |
12 |
23 |
|
[ANX]A:1504 |
13 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
35 |
17 |
20832 |
191.4 |
-5.6 |
0.245 |
1 |
0 |
0 |
0.060 |
13 |
24 |
|
[ANX]D:1504 |
13 |
1 |
326 |
cf |
D |
x,y,z |
1_555 |
39 |
16 |
20725 |
180.0 |
-4.9 |
0.310 |
1 |
0 |
0 |
0.052 |
14 |
25 |
|
A |
20 |
5 |
20832 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
6 |
20969 |
167.6 |
-0.1 |
0.575 |
2 |
0 |
0 |
0.000 |
15 |
26 |
|
B |
29 |
9 |
20969 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
17 |
6 |
20829 |
162.7 |
0.4 |
0.649 |
2 |
0 |
0 |
0.000 |
16 |
27 |
|
[XYS]E:1504 |
9 |
1 |
258 |
cf |
E |
x,y,z |
1_555 |
22 |
15 |
20829 |
160.8 |
1.8 |
0.313 |
4 |
0 |
0 |
0.012 |
28 |
|
[XYS]G:1504 |
9 |
1 |
258 |
cf |
G |
x,y,z |
1_555 |
24 |
14 |
20764 |
160.3 |
2.0 |
0.319 |
3 |
0 |
0 |
0.012 |
29 |
|
[XYS]F:1504 |
9 |
1 |
258 |
cf |
F |
x,y,z |
1_555 |
23 |
14 |
20985 |
160.0 |
1.9 |
0.331 |
4 |
0 |
0 |
0.012 |
30 |
|
[XYS]A:1507 |
9 |
1 |
259 |
cf |
A |
x,y,z |
1_555 |
25 |
14 |
20832 |
100.7 |
0.6 |
0.176 |
4 |
0 |
0 |
0.012 |
Average: |
145.5 |
1.6 |
0.285 |
4 |
0 |
0 |
0.012 |
17 |
31 |
|
[XYS]B:1504 |
9 |
1 |
258 |
cf |
B |
x,y,z |
1_555 |
25 |
14 |
20969 |
159.3 |
1.7 |
0.296 |
3 |
0 |
0 |
0.000 |
18 |
32 |
|
[XYS]H:1504 |
9 |
1 |
259 |
cf |
H |
x,y,z |
1_555 |
23 |
13 |
20937 |
158.7 |
1.9 |
0.348 |
4 |
0 |
0 |
0.008 |
33 |
|
[XYS]D:1507 |
9 |
1 |
259 |
cf |
D |
x,y,z |
1_555 |
23 |
13 |
20725 |
97.3 |
1.0 |
0.330 |
4 |
0 |
0 |
0.008 |
Average: |
128.0 |
1.5 |
0.339 |
4 |
0 |
0 |
0.008 |
19 |
34 |
|
[XYS]C:1504 |
9 |
1 |
258 |
cf |
C |
x,y,z |
1_555 |
24 |
13 |
20826 |
157.4 |
1.9 |
0.365 |
2 |
0 |
0 |
0.000 |
20 |
35 |
|
C |
17 |
7 |
20826 |
◊ |
D |
x-1,y,z |
1_455 |
20 |
6 |
20725 |
152.7 |
-2.2 |
0.243 |
0 |
0 |
0 |
0.000 |
21 |
36 |
|
F |
9 |
4 |
20985 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
20725 |
110.1 |
-0.2 |
0.544 |
0 |
0 |
0 |
0.000 |
22 |
37 |
|
F |
11 |
5 |
20985 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
5 |
20937 |
102.2 |
0.6 |
0.658 |
0 |
2 |
0 |
0.000 |
23 |
38 |
|
[SO4]G:1505 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
19 |
8 |
20764 |
100.9 |
-16.3 |
0.692 |
3 |
0 |
0 |
0.213 |
24 |
39 |
|
[SO4]D:1506 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
20725 |
100.7 |
-15.9 |
0.797 |
4 |
0 |
0 |
0.174 |
25 |
40 |
|
[XYP]D:1505 |
9 |
1 |
257 |
f |
D |
x,y,z |
1_555 |
25 |
14 |
20725 |
100.6 |
-3.7 |
0.334 |
5 |
0 |
0 |
0.110 |
41 |
|
[XYP]A:1505 |
9 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
25 |
14 |
20832 |
100.4 |
-4.2 |
0.164 |
4 |
0 |
0 |
0.110 |
Average: |
100.5 |
-4.0 |
0.249 |
5 |
0 |
0 |
0.110 |
26 |
42 |
|
[SO4]H:1505 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
18 |
7 |
20937 |
100.3 |
-16.0 |
0.671 |
4 |
0 |
0 |
0.211 |
27 |
43 |
|
A |
8 |
2 |
20832 |
◊ |
G |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
2 |
20764 |
99.2 |
0.9 |
0.746 |
2 |
4 |
0 |
0.000 |
28 |
44 |
|
[SO4]A:1506 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
20832 |
99.1 |
-15.0 |
0.659 |
2 |
0 |
0 |
0.159 |
29 |
45 |
|
[SO4]C:1505 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
20826 |
96.6 |
-15.1 |
0.738 |
3 |
0 |
0 |
0.197 |
30 |
46 |
|
[SO4]E:1505 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
20829 |
95.3 |
-14.8 |
0.658 |
2 |
0 |
0 |
0.186 |
31 |
47 |
|
[SO4]F:1505 |
5 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
18 |
7 |
20985 |
94.5 |
-15.1 |
0.686 |
3 |
0 |
0 |
0.200 |
32 |
48 |
|
[SO4]B:1505 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
20969 |
93.4 |
-14.4 |
0.708 |
3 |
0 |
0 |
0.189 |
33 |
49 |
|
A |
10 |
4 |
20832 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
4 |
20985 |
92.9 |
-0.3 |
0.521 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[XYS]D:1507 |
9 |
1 |
259 |
f |
[XYP]D:1505 |
x,y,z |
1_555 |
9 |
1 |
257 |
73.6 |
-0.5 |
0.404 |
0 |
0 |
0 |
0.009 |
51 |
|
[XYS]A:1507 |
9 |
1 |
259 |
f |
[XYP]A:1505 |
x,y,z |
1_555 |
9 |
1 |
257 |
73.2 |
-0.4 |
0.388 |
0 |
0 |
0 |
0.009 |
Average: |
73.4 |
-0.5 |
0.396 |
0 |
0 |
0 |
0.009 |
35 |
52 |
|
[NA]C:1503 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
20764 |
69.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.302 |
53 |
|
[NA]B:1503 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
8 |
20829 |
68.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.302 |
54 |
|
[NA]A:1503 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
20725 |
68.6 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.302 |
55 |
|
[NA]H:1503 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
8 |
20985 |
68.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.302 |
56 |
|
[NA]F:1503 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
20937 |
68.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.302 |
57 |
|
[NA]E:1503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
20969 |
68.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.302 |
58 |
|
[NA]G:1503 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
20832 |
68.4 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.302 |
59 |
|
[NA]D:1503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
20826 |
67.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.302 |
Average: |
68.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.302 |
36 |
60 |
|
E |
7 |
2 |
20829 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
2 |
20937 |
56.1 |
1.5 |
0.863 |
3 |
4 |
0 |
0.000 |
37 |
61 |
|
H |
8 |
5 |
20937 |
◊ |
G |
x-1,y,z |
1_455 |
5 |
2 |
20764 |
51.2 |
0.7 |
0.724 |
1 |
0 |
0 |
0.000 |
38 |
62 |
|
[XYP]A:1505 |
5 |
1 |
257 |
cf |
[ANX]A:1504 |
x,y,z |
1_555 |
6 |
1 |
329 |
46.7 |
0.7 |
0.861 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
[XYP]D:1505 |
5 |
1 |
257 |
cf |
[ANX]D:1504 |
x,y,z |
1_555 |
5 |
1 |
326 |
44.1 |
0.7 |
0.831 |
0 |
0 |
0 |
0.000 |
40 |
64 |
|
[XYS]A:1507 |
6 |
1 |
259 |
f |
[ANX]A:1504 |
x,y,z |
1_555 |
6 |
1 |
329 |
41.3 |
0.9 |
0.406 |
1 |
0 |
0 |
0.000 |
41 |
65 |
|
[XYS]D:1507 |
6 |
1 |
259 |
f |
[ANX]D:1504 |
x,y,z |
1_555 |
5 |
1 |
326 |
39.6 |
1.0 |
0.396 |
0 |
0 |
0 |
0.000 |
42 |
66 |
|
A |
3 |
1 |
20832 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
20725 |
36.1 |
0.5 |
0.721 |
0 |
0 |
0 |
0.000 |
67 |
|
C |
4 |
2 |
20826 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
20969 |
24.7 |
0.4 |
0.754 |
0 |
0 |
0 |
0.000 |
Average: |
30.4 |
0.4 |
0.738 |
0 |
0 |
0 |
0.000 |
43 |
68 |
|
B |
7 |
5 |
20969 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
8 |
4 |
20725 |
24.7 |
0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
69 |
|
F |
5 |
2 |
20985 |
◊ |
G |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
20764 |
15.8 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
70 |
|
C |
1 |
1 |
20826 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
20832 |
0.4 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
Average: |
13.6 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
44 |
71 |
|
G |
4 |
2 |
20764 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
3 |
1 |
20829 |
21.3 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
45 |
72 |
|
C |
2 |
1 |
20826 |
◊ |
[ANX]D:1504 |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
326 |
8.3 |
-0.3 |
0.479 |
0 |
0 |
0 |
0.000 |
46 |
73 |
|
F |
2 |
2 |
20985 |
◊ |
G |
x-1,y,z |
1_455 |
3 |
3 |
20764 |
8.1 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
|