## |
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 |
|
F |
179 |
51 |
17287 |
◊ |
E |
x,y,z |
1_555 |
166 |
41 |
6680 |
1633.5 |
-12.9 |
0.338 |
26 |
13 |
0 |
1.000 |
2 |
|
D |
177 |
51 |
17067 |
◊ |
C |
x,y,z |
1_555 |
167 |
42 |
6742 |
1623.9 |
-12.6 |
0.342 |
24 |
13 |
0 |
1.000 |
Average: |
1628.7 |
-12.7 |
0.340 |
25 |
13 |
0 |
1.000 |
2 |
3 |
|
F |
128 |
36 |
17287 |
◊ |
C |
x,y,z |
1_555 |
136 |
43 |
6742 |
1279.8 |
-9.9 |
0.118 |
21 |
4 |
0 |
0.437 |
4 |
|
D |
130 |
37 |
17067 |
◊ |
E |
x,y,z |
1_555 |
128 |
42 |
6680 |
1245.0 |
-9.3 |
0.115 |
20 |
3 |
0 |
0.437 |
Average: |
1262.4 |
-9.6 |
0.117 |
21 |
4 |
0 |
0.437 |
3 |
5 |
|
C |
88 |
27 |
6742 |
◊ |
A |
x,y,z |
1_555 |
89 |
28 |
16255 |
910.4 |
-7.8 |
0.318 |
10 |
4 |
0 |
0.097 |
6 |
|
E |
81 |
24 |
6680 |
◊ |
B |
x,y,z |
1_555 |
79 |
27 |
16257 |
816.3 |
-8.9 |
0.234 |
11 |
4 |
0 |
0.097 |
Average: |
863.3 |
-8.3 |
0.276 |
11 |
4 |
0 |
0.097 |
4 |
7 |
|
F |
72 |
21 |
17287 |
◊ |
D |
x,y,z |
1_555 |
72 |
21 |
17067 |
666.0 |
-3.2 |
0.467 |
6 |
14 |
0 |
0.091 |
5 |
8 |
|
D |
64 |
21 |
17067 |
◊ |
B |
x,y,z-1 |
1_554 |
67 |
21 |
16257 |
647.0 |
-5.3 |
0.292 |
4 |
1 |
0 |
0.000 |
6 |
9 |
|
[HEC]B:500 |
43 |
1 |
848 |
cf |
B |
x,y,z |
1_555 |
85 |
34 |
16257 |
630.4 |
-21.0 |
0.471 |
5 |
0 |
0 |
0.166 |
10 |
|
[HEC]A:500 |
43 |
1 |
858 |
cf |
A |
x,y,z |
1_555 |
82 |
34 |
16255 |
630.3 |
-21.4 |
0.439 |
5 |
0 |
0 |
0.166 |
Average: |
630.3 |
-21.2 |
0.455 |
5 |
0 |
0 |
0.166 |
7 |
11 |
|
[HEC]B:600 |
43 |
1 |
843 |
cf |
B |
x,y,z |
1_555 |
81 |
32 |
16257 |
611.7 |
-24.1 |
0.184 |
3 |
0 |
0 |
0.181 |
12 |
|
[HEC]A:600 |
43 |
1 |
842 |
cf |
A |
x,y,z |
1_555 |
85 |
33 |
16255 |
610.0 |
-24.1 |
0.192 |
3 |
0 |
0 |
0.181 |
Average: |
610.9 |
-24.1 |
0.188 |
3 |
0 |
0 |
0.181 |
8 |
13 |
|
D |
42 |
14 |
17067 |
◊ |
A |
x,y,z |
1_555 |
40 |
12 |
16255 |
404.1 |
0.2 |
0.686 |
5 |
3 |
0 |
0.013 |
14 |
|
F |
42 |
13 |
17287 |
◊ |
B |
x,y,z |
1_555 |
41 |
12 |
16257 |
381.3 |
0.4 |
0.616 |
3 |
2 |
0 |
0.013 |
Average: |
392.7 |
0.3 |
0.651 |
4 |
3 |
0 |
0.013 |
9 |
15 |
|
C |
41 |
12 |
6742 |
◊ |
A |
x-1,y,z |
1_455 |
33 |
12 |
16255 |
346.7 |
-4.9 |
0.208 |
4 |
0 |
0 |
0.000 |
10 |
16 |
|
B |
37 |
12 |
16257 |
◊ |
A |
x,y-1,z+1 |
1_546 |
36 |
14 |
16255 |
297.1 |
0.4 |
0.721 |
1 |
8 |
0 |
0.000 |
11 |
17 |
|
F |
27 |
7 |
17287 |
◊ |
A |
x,y,z |
1_555 |
32 |
8 |
16255 |
272.3 |
-0.8 |
0.567 |
3 |
1 |
0 |
0.020 |
18 |
|
D |
26 |
7 |
17067 |
◊ |
B |
x,y,z |
1_555 |
29 |
8 |
16257 |
263.3 |
-0.2 |
0.631 |
6 |
3 |
0 |
0.020 |
Average: |
267.8 |
-0.5 |
0.599 |
5 |
2 |
0 |
0.020 |
12 |
19 |
|
D |
30 |
9 |
17067 |
x |
D |
x-1,y,z |
1_455 |
19 |
6 |
17067 |
222.1 |
1.0 |
0.726 |
7 |
0 |
0 |
0.000 |
13 |
20 |
|
E |
23 |
9 |
6680 |
◊ |
B |
x-1,y,z |
1_455 |
24 |
10 |
16257 |
197.2 |
1.4 |
0.831 |
3 |
0 |
0 |
0.000 |
14 |
21 |
|
[1PE]D:390 |
14 |
1 |
419 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
17067 |
180.6 |
0.2 |
0.648 |
2 |
0 |
0 |
0.034 |
15 |
22 |
|
[PG4]F:387 |
12 |
1 |
399 |
f |
F |
x,y,z |
1_555 |
26 |
12 |
17287 |
169.7 |
5.2 |
0.442 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
F |
22 |
10 |
17287 |
◊ |
A |
x-1,y,z+1 |
1_456 |
20 |
9 |
16255 |
144.7 |
-0.9 |
0.515 |
1 |
1 |
0 |
0.000 |
17 |
24 |
|
[EDO]A:374 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
16255 |
117.1 |
3.7 |
0.531 |
4 |
0 |
0 |
0.000 |
18 |
25 |
|
B |
8 |
3 |
16257 |
◊ |
F |
x,y-1,z+1 |
1_546 |
12 |
5 |
17287 |
113.7 |
-0.2 |
0.516 |
2 |
2 |
0 |
0.000 |
26 |
|
D |
12 |
6 |
17067 |
◊ |
A |
x,y-1,z+1 |
1_546 |
9 |
4 |
16255 |
113.6 |
-0.5 |
0.435 |
2 |
2 |
0 |
0.000 |
Average: |
113.6 |
-0.4 |
0.475 |
2 |
2 |
0 |
0.000 |
19 |
27 |
|
[EDO]D:388 |
4 |
1 |
191 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
17067 |
105.2 |
4.0 |
0.674 |
1 |
0 |
0 |
0.000 |
20 |
28 |
|
[MES]D:387 |
10 |
1 |
334 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
17067 |
103.6 |
2.0 |
0.043 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[EDO]B:374 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
16257 |
99.1 |
2.7 |
0.289 |
1 |
0 |
0 |
0.000 |
22 |
30 |
|
[ACT]D:389 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
17067 |
97.7 |
0.0 |
0.689 |
2 |
0 |
0 |
0.043 |
23 |
31 |
|
F |
11 |
6 |
17287 |
x |
F |
x-1,y,z |
1_455 |
16 |
9 |
17287 |
90.3 |
0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
24 |
32 |
|
F |
11 |
4 |
17287 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
5 |
16255 |
87.4 |
-1.2 |
0.388 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
F |
7 |
2 |
17287 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
3 |
16257 |
76.7 |
-0.4 |
0.526 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[MES]D:387 |
6 |
1 |
334 |
◊ |
A |
x,y-1,z+1 |
1_546 |
12 |
5 |
16255 |
71.1 |
2.3 |
0.304 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
B |
11 |
4 |
16257 |
x |
B |
x-1,y,z |
1_455 |
6 |
3 |
16257 |
66.9 |
-0.4 |
0.526 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
[NA]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16257 |
65.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.074 |
37 |
|
[NA]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
16255 |
64.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.074 |
Average: |
65.0 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.074 |
29 |
38 |
|
[NA]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
16257 |
61.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.059 |
39 |
|
[NA]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
16255 |
61.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.059 |
Average: |
61.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.059 |
30 |
40 |
|
[CA]B:400 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
14 |
9 |
16257 |
46.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.078 |
41 |
|
[CA]A:400 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
16255 |
46.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
46.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.078 |
31 |
42 |
|
[EDO]D:388 |
3 |
1 |
191 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
6742 |
44.7 |
0.8 |
0.777 |
0 |
0 |
0 |
0.000 |
32 |
43 |
|
[HEC]A:600 |
3 |
1 |
842 |
f |
[CA]A:400 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.013 |
44 |
|
[HEC]B:600 |
3 |
1 |
843 |
f |
[CA]B:400 |
x,y,z |
1_555 |
1 |
1 |
85 |
8.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
9.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
|