## |
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 |
638 |
158 |
43327 |
◊ |
A |
x,y,z |
1_555 |
638 |
158 |
43350 |
6152.7 |
-33.1 |
0.047 |
99 |
21 |
0 |
1.000 |
2 |
|
D |
637 |
157 |
43327 |
◊ |
C |
x,y,z |
1_555 |
639 |
156 |
43345 |
6142.6 |
-33.0 |
0.050 |
95 |
23 |
0 |
1.000 |
3 |
|
F |
637 |
156 |
43327 |
◊ |
E |
x,y,z |
1_555 |
633 |
157 |
43343 |
6104.1 |
-33.1 |
0.049 |
97 |
21 |
0 |
1.000 |
Average: |
6133.1 |
-33.1 |
0.048 |
97 |
22 |
0 |
1.000 |
2 |
4 |
|
F |
196 |
60 |
43327 |
◊ |
C |
x,y,z |
1_555 |
193 |
60 |
43345 |
1708.7 |
-2.2 |
0.527 |
29 |
16 |
0 |
1.000 |
5 |
|
D |
186 |
57 |
43327 |
◊ |
A |
x,y,z |
1_555 |
188 |
56 |
43350 |
1668.4 |
-2.1 |
0.525 |
26 |
18 |
0 |
1.000 |
6 |
|
E |
183 |
57 |
43343 |
◊ |
B |
x,y,z |
1_555 |
186 |
54 |
43327 |
1650.9 |
-2.0 |
0.525 |
27 |
16 |
0 |
1.000 |
Average: |
1676.0 |
-2.1 |
0.526 |
27 |
17 |
0 |
1.000 |
3 |
7 |
|
A |
114 |
38 |
43350 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
117 |
38 |
43343 |
962.4 |
7.6 |
0.902 |
14 |
6 |
0 |
0.000 |
8 |
|
D |
116 |
38 |
43327 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
114 |
38 |
43327 |
954.0 |
7.4 |
0.897 |
15 |
6 |
0 |
0.000 |
Average: |
958.2 |
7.5 |
0.900 |
15 |
6 |
0 |
0.000 |
4 |
9 |
|
L |
34 |
4 |
847 |
◊ |
F |
x,y,z |
1_555 |
65 |
20 |
43327 |
436.1 |
-2.2 |
0.251 |
9 |
2 |
0 |
0.183 |
10 |
|
I |
34 |
4 |
850 |
◊ |
C |
x,y,z |
1_555 |
65 |
20 |
43345 |
435.7 |
-2.2 |
0.264 |
9 |
2 |
0 |
0.183 |
11 |
|
J |
34 |
4 |
846 |
◊ |
D |
x,y,z |
1_555 |
65 |
20 |
43327 |
435.6 |
-2.2 |
0.250 |
10 |
2 |
0 |
0.183 |
12 |
|
K |
34 |
4 |
847 |
◊ |
E |
x,y,z |
1_555 |
64 |
20 |
43343 |
435.3 |
-2.2 |
0.251 |
8 |
2 |
0 |
0.183 |
13 |
|
H |
34 |
4 |
845 |
◊ |
B |
x,y,z |
1_555 |
64 |
20 |
43327 |
433.7 |
-2.2 |
0.248 |
8 |
2 |
0 |
0.183 |
14 |
|
G |
34 |
4 |
846 |
◊ |
A |
x,y,z |
1_555 |
65 |
20 |
43350 |
433.0 |
-2.2 |
0.248 |
8 |
2 |
0 |
0.183 |
Average: |
434.9 |
-2.2 |
0.252 |
9 |
2 |
0 |
0.183 |
5 |
15 |
|
E |
44 |
12 |
43343 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
43350 |
345.3 |
-2.8 |
0.173 |
3 |
1 |
0 |
0.078 |
16 |
|
E |
32 |
10 |
43343 |
◊ |
C |
x,y,z |
1_555 |
41 |
12 |
43345 |
342.2 |
-2.7 |
0.162 |
3 |
1 |
0 |
0.078 |
17 |
|
D |
41 |
12 |
43327 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
43327 |
337.5 |
-3.0 |
0.162 |
1 |
0 |
0 |
0.078 |
18 |
|
F |
39 |
12 |
43327 |
◊ |
D |
x,y,z |
1_555 |
33 |
10 |
43327 |
336.7 |
-2.6 |
0.173 |
2 |
1 |
0 |
0.078 |
19 |
|
C |
31 |
10 |
43345 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
43350 |
328.8 |
-2.7 |
0.157 |
2 |
0 |
0 |
0.078 |
20 |
|
F |
30 |
10 |
43327 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
43327 |
321.1 |
-2.7 |
0.160 |
2 |
0 |
0 |
0.078 |
Average: |
335.3 |
-2.8 |
0.164 |
2 |
1 |
0 |
0.078 |
6 |
21 |
|
D |
35 |
11 |
43327 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
42 |
13 |
43327 |
285.2 |
-1.6 |
0.410 |
0 |
1 |
0 |
0.000 |
22 |
|
A |
41 |
13 |
43350 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
33 |
11 |
43343 |
278.0 |
-1.6 |
0.405 |
0 |
1 |
0 |
0.000 |
Average: |
281.6 |
-1.6 |
0.407 |
0 |
1 |
0 |
0.000 |
7 |
23 |
|
C |
37 |
15 |
43345 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
36 |
13 |
43343 |
265.1 |
2.4 |
0.794 |
0 |
3 |
0 |
0.000 |
8 |
24 |
|
C |
23 |
5 |
43345 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
25 |
8 |
43327 |
229.5 |
0.5 |
0.652 |
3 |
3 |
0 |
0.000 |
9 |
25 |
|
[D10]J:2101 |
10 |
1 |
373 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
43327 |
123.3 |
3.2 |
0.338 |
0 |
0 |
0 |
0.000 |
26 |
|
[D10]H:2101 |
10 |
1 |
372 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
43327 |
123.3 |
3.2 |
0.363 |
0 |
0 |
0 |
0.000 |
27 |
|
[D10]I:2101 |
10 |
1 |
373 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
43345 |
123.2 |
3.2 |
0.361 |
0 |
0 |
0 |
0.000 |
28 |
|
[D10]K:2101 |
10 |
1 |
373 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
43343 |
123.1 |
3.1 |
0.355 |
0 |
0 |
0 |
0.000 |
29 |
|
[D10]L:2101 |
10 |
1 |
373 |
◊ |
F |
x,y,z |
1_555 |
14 |
6 |
43327 |
122.8 |
3.1 |
0.363 |
0 |
0 |
0 |
0.000 |
30 |
|
[D10]G:2101 |
10 |
1 |
372 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
43350 |
122.6 |
3.2 |
0.363 |
0 |
0 |
0 |
0.000 |
Average: |
123.0 |
3.2 |
0.357 |
0 |
0 |
0 |
0.000 |
10 |
31 |
|
H |
10 |
3 |
845 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
43350 |
108.8 |
1.0 |
0.531 |
1 |
2 |
0 |
0.000 |
32 |
|
I |
8 |
3 |
850 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
43327 |
107.4 |
0.9 |
0.563 |
1 |
2 |
0 |
0.000 |
33 |
|
J |
9 |
3 |
846 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
43345 |
107.4 |
0.9 |
0.542 |
1 |
2 |
0 |
0.000 |
34 |
|
L |
8 |
3 |
847 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
43343 |
107.3 |
0.9 |
0.563 |
1 |
2 |
0 |
0.000 |
35 |
|
G |
10 |
3 |
846 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
43327 |
105.0 |
1.0 |
0.520 |
1 |
2 |
0 |
0.000 |
36 |
|
K |
9 |
3 |
847 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
43327 |
102.8 |
0.9 |
0.530 |
1 |
2 |
0 |
0.000 |
Average: |
106.4 |
0.9 |
0.542 |
1 |
2 |
0 |
0.000 |
11 |
37 |
|
[D10]G:2101 |
4 |
1 |
372 |
cf |
G |
x,y,z |
1_555 |
4 |
1 |
846 |
56.1 |
2.3 |
0.782 |
0 |
0 |
0 |
0.000 |
38 |
|
[D10]H:2101 |
4 |
1 |
372 |
cf |
H |
x,y,z |
1_555 |
4 |
1 |
845 |
56.1 |
2.3 |
0.783 |
0 |
0 |
0 |
0.000 |
39 |
|
[D10]I:2101 |
4 |
1 |
373 |
cf |
I |
x,y,z |
1_555 |
4 |
1 |
850 |
56.0 |
2.3 |
0.785 |
0 |
0 |
0 |
0.000 |
40 |
|
[D10]L:2101 |
4 |
1 |
373 |
cf |
L |
x,y,z |
1_555 |
4 |
1 |
847 |
55.3 |
2.2 |
0.781 |
0 |
0 |
0 |
0.000 |
41 |
|
[D10]J:2101 |
4 |
1 |
373 |
cf |
J |
x,y,z |
1_555 |
4 |
1 |
846 |
55.3 |
2.2 |
0.781 |
0 |
0 |
0 |
0.000 |
42 |
|
[D10]K:2101 |
4 |
1 |
373 |
cf |
K |
x,y,z |
1_555 |
4 |
1 |
847 |
55.3 |
2.2 |
0.780 |
0 |
0 |
0 |
0.000 |
Average: |
55.7 |
2.3 |
0.782 |
0 |
0 |
0 |
0.000 |
12 |
43 |
|
[CHM]L:1105 |
1 |
1 |
129 |
c |
F |
x,y,z |
1_555 |
13 |
6 |
43327 |
50.7 |
2.8 |
0.808 |
0 |
0 |
0 |
0.000 |
44 |
|
[CHM]I:1105 |
1 |
1 |
129 |
c |
C |
x,y,z |
1_555 |
13 |
6 |
43345 |
50.5 |
2.8 |
0.808 |
0 |
0 |
0 |
0.000 |
45 |
|
[CHM]K:1105 |
1 |
1 |
129 |
c |
E |
x,y,z |
1_555 |
11 |
6 |
43343 |
50.3 |
2.8 |
0.815 |
0 |
0 |
0 |
0.000 |
46 |
|
[CHM]G:1105 |
1 |
1 |
129 |
c |
A |
x,y,z |
1_555 |
13 |
6 |
43350 |
50.2 |
2.8 |
0.810 |
0 |
0 |
0 |
0.000 |
47 |
|
[CHM]H:1105 |
1 |
1 |
129 |
c |
B |
x,y,z |
1_555 |
12 |
6 |
43327 |
50.2 |
2.8 |
0.812 |
0 |
0 |
0 |
0.000 |
48 |
|
[CHM]J:1105 |
1 |
1 |
129 |
c |
D |
x,y,z |
1_555 |
12 |
6 |
43327 |
50.2 |
2.8 |
0.813 |
0 |
0 |
0 |
0.000 |
Average: |
50.4 |
2.8 |
0.811 |
0 |
0 |
0 |
0.000 |
13 |
49 |
|
D |
6 |
4 |
43327 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
43327 |
46.4 |
0.8 |
0.768 |
0 |
0 |
0 |
0.000 |
14 |
50 |
|
[CHM]I:1105 |
1 |
1 |
129 |
cf |
I |
x,y,z |
1_555 |
5 |
1 |
850 |
41.6 |
1.0 |
0.541 |
0 |
0 |
0 |
0.000 |
51 |
|
[CHM]K:1105 |
1 |
1 |
129 |
cf |
K |
x,y,z |
1_555 |
4 |
1 |
847 |
41.5 |
1.0 |
0.515 |
0 |
0 |
0 |
0.000 |
52 |
|
[CHM]L:1105 |
1 |
1 |
129 |
cf |
L |
x,y,z |
1_555 |
5 |
1 |
847 |
41.4 |
1.1 |
0.529 |
0 |
0 |
0 |
0.000 |
53 |
|
[CHM]J:1105 |
1 |
1 |
129 |
cf |
J |
x,y,z |
1_555 |
4 |
1 |
846 |
41.4 |
1.0 |
0.519 |
0 |
0 |
0 |
0.000 |
54 |
|
[CHM]H:1105 |
1 |
1 |
129 |
cf |
H |
x,y,z |
1_555 |
4 |
1 |
845 |
41.3 |
1.1 |
0.513 |
0 |
0 |
0 |
0.000 |
55 |
|
[CHM]G:1105 |
1 |
1 |
129 |
cf |
G |
x,y,z |
1_555 |
4 |
1 |
846 |
41.2 |
1.1 |
0.514 |
0 |
0 |
0 |
0.000 |
Average: |
41.4 |
1.1 |
0.522 |
0 |
0 |
0 |
0.000 |
15 |
56 |
|
A |
5 |
2 |
43350 |
◊ |
F |
x,y,z-1 |
1_554 |
6 |
2 |
43327 |
41.1 |
0.5 |
0.669 |
0 |
0 |
0 |
0.000 |
16 |
57 |
|
A |
3 |
2 |
43350 |
x |
A |
x-1,y,z |
1_455 |
5 |
2 |
43350 |
18.5 |
-0.6 |
0.308 |
0 |
0 |
0 |
0.000 |
58 |
|
B |
4 |
2 |
43327 |
x |
B |
x-1,y,z |
1_455 |
3 |
2 |
43327 |
16.6 |
-0.5 |
0.312 |
0 |
0 |
0 |
0.000 |
Average: |
17.6 |
-0.5 |
0.310 |
0 |
0 |
0 |
0.000 |
17 |
59 |
|
A |
2 |
2 |
43350 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
3 |
43345 |
3.5 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
|