## |
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 |
293 |
74 |
21225 |
◊ |
A |
x,y,z |
1_555 |
316 |
86 |
29671 |
2813.7 |
-25.1 |
0.189 |
30 |
6 |
0 |
0.664 |
2 |
|
D |
294 |
73 |
21429 |
◊ |
C |
x,y,z |
1_555 |
307 |
83 |
29635 |
2791.9 |
-24.1 |
0.191 |
30 |
7 |
0 |
0.664 |
Average: |
2802.8 |
-24.6 |
0.190 |
30 |
7 |
0 |
0.664 |
2 |
3 |
|
T |
150 |
19 |
5603 |
◊ |
A |
x,y,z |
1_555 |
158 |
55 |
29671 |
1325.1 |
-8.0 |
0.633 |
9 |
0 |
0 |
0.174 |
4 |
|
E |
139 |
18 |
5555 |
◊ |
C |
x,y,z |
1_555 |
144 |
51 |
29635 |
1207.3 |
-9.5 |
0.607 |
13 |
0 |
0 |
0.174 |
Average: |
1266.2 |
-8.7 |
0.620 |
11 |
0 |
0 |
0.174 |
3 |
5 |
|
P |
96 |
19 |
4636 |
◊ |
T |
x,y,z |
1_555 |
90 |
21 |
5603 |
929.4 |
-11.3 |
0.646 |
60 |
0 |
0 |
1.000 |
6 |
|
F |
89 |
19 |
4552 |
◊ |
E |
x,y,z |
1_555 |
95 |
21 |
5555 |
905.3 |
-11.1 |
0.667 |
58 |
0 |
0 |
1.000 |
Average: |
917.3 |
-11.2 |
0.657 |
59 |
0 |
0 |
1.000 |
4 |
7 |
|
P |
93 |
15 |
4636 |
◊ |
A |
x,y,z |
1_555 |
109 |
32 |
29671 |
897.4 |
-8.4 |
0.643 |
15 |
0 |
0 |
0.209 |
8 |
|
F |
95 |
14 |
4552 |
◊ |
C |
x,y,z |
1_555 |
108 |
33 |
29635 |
879.5 |
-11.4 |
0.454 |
12 |
0 |
0 |
0.209 |
Average: |
888.4 |
-9.9 |
0.549 |
14 |
0 |
0 |
0.209 |
5 |
9 |
|
D |
62 |
15 |
21429 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
67 |
18 |
21225 |
564.4 |
0.6 |
0.756 |
6 |
10 |
0 |
0.026 |
6 |
10 |
|
C |
48 |
13 |
29635 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
52 |
15 |
29671 |
468.9 |
-1.6 |
0.601 |
3 |
0 |
0 |
0.000 |
7 |
11 |
|
C |
44 |
11 |
29635 |
◊ |
A |
-x-1,y-1/2,-z+1 |
2_446 |
43 |
11 |
29671 |
426.1 |
-1.6 |
0.588 |
5 |
0 |
0 |
0.000 |
8 |
12 |
|
[DTP]A:603 |
28 |
1 |
563 |
f |
A |
x,y,z |
1_555 |
47 |
17 |
29671 |
322.4 |
1.0 |
0.558 |
7 |
0 |
0 |
0.036 |
13 |
|
[DTP]C:601 |
28 |
1 |
561 |
f |
C |
x,y,z |
1_555 |
46 |
16 |
29635 |
320.2 |
1.1 |
0.571 |
8 |
0 |
0 |
0.036 |
Average: |
321.3 |
1.0 |
0.565 |
8 |
0 |
0 |
0.036 |
9 |
14 |
|
[SUC]B:501 |
19 |
1 |
455 |
◊ |
B |
x,y,z |
1_555 |
34 |
13 |
21225 |
267.2 |
4.1 |
0.656 |
7 |
0 |
0 |
0.000 |
10 |
15 |
|
D |
30 |
11 |
21429 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
35 |
17 |
29671 |
266.7 |
3.1 |
0.864 |
5 |
3 |
0 |
0.000 |
11 |
16 |
|
[SUC]D:501 |
19 |
1 |
452 |
◊ |
D |
x,y,z |
1_555 |
37 |
12 |
21429 |
266.2 |
3.7 |
0.637 |
5 |
0 |
0 |
0.000 |
12 |
17 |
|
[MRG]F:817 |
25 |
1 |
563 |
cf |
F |
x,y,z |
1_555 |
29 |
2 |
4552 |
252.7 |
5.1 |
0.790 |
0 |
0 |
0 |
0.000 |
18 |
|
[MRG]P:817 |
25 |
1 |
560 |
cf |
P |
x,y,z |
1_555 |
31 |
2 |
4636 |
252.0 |
5.4 |
0.863 |
0 |
0 |
0 |
0.000 |
Average: |
252.4 |
5.2 |
0.827 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
B |
29 |
9 |
21225 |
◊ |
C |
x,y,z |
1_555 |
32 |
13 |
29635 |
246.7 |
-2.5 |
0.371 |
2 |
0 |
0 |
0.024 |
14 |
20 |
|
B |
15 |
6 |
21225 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
18 |
6 |
29671 |
131.6 |
0.2 |
0.674 |
1 |
2 |
0 |
0.000 |
15 |
21 |
|
[SO4]D:502 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
21429 |
120.7 |
-19.3 |
0.654 |
1 |
0 |
0 |
0.252 |
16 |
22 |
|
[EDO]B:502 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
21 |
9 |
21225 |
119.2 |
3.5 |
0.513 |
3 |
0 |
0 |
0.000 |
17 |
23 |
|
[MRG]F:817 |
8 |
1 |
563 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
29635 |
115.1 |
-2.5 |
0.193 |
0 |
0 |
0 |
0.049 |
24 |
|
[MRG]P:817 |
9 |
1 |
560 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
29671 |
102.0 |
-3.5 |
0.127 |
0 |
0 |
0 |
0.049 |
Average: |
108.5 |
-3.0 |
0.160 |
0 |
0 |
0 |
0.049 |
18 |
25 |
|
[DTP]C:601 |
18 |
1 |
561 |
◊ |
F |
x,y,z |
1_555 |
13 |
1 |
4552 |
98.6 |
3.0 |
0.730 |
0 |
0 |
0 |
0.000 |
26 |
|
[DTP]A:603 |
18 |
1 |
563 |
◊ |
P |
x,y,z |
1_555 |
13 |
1 |
4636 |
95.3 |
3.0 |
0.717 |
0 |
0 |
0 |
0.000 |
Average: |
96.9 |
3.0 |
0.724 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[MRG]P:817 |
7 |
1 |
560 |
◊ |
T |
x,y,z |
1_555 |
13 |
3 |
5603 |
98.6 |
0.4 |
0.577 |
4 |
0 |
0 |
0.076 |
28 |
|
[MRG]F:817 |
9 |
1 |
563 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
5555 |
88.8 |
-0.5 |
0.474 |
5 |
0 |
0 |
0.076 |
Average: |
93.7 |
-0.0 |
0.526 |
5 |
0 |
0 |
0.076 |
20 |
29 |
|
[EDO]D:503 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
15 |
7 |
21429 |
97.3 |
3.8 |
0.550 |
2 |
0 |
0 |
0.000 |
21 |
30 |
|
F |
14 |
3 |
4552 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
21429 |
90.9 |
-3.2 |
0.410 |
0 |
0 |
0 |
0.047 |
31 |
|
P |
9 |
3 |
4636 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
21225 |
73.4 |
-2.9 |
0.339 |
1 |
0 |
0 |
0.047 |
Average: |
82.2 |
-3.0 |
0.375 |
1 |
0 |
0 |
0.047 |
22 |
32 |
|
E |
10 |
4 |
5555 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
21429 |
78.4 |
-1.8 |
0.389 |
2 |
0 |
0 |
0.018 |
33 |
|
T |
7 |
5 |
5603 |
◊ |
B |
x,y,z |
1_555 |
8 |
5 |
21225 |
56.2 |
-1.8 |
0.374 |
1 |
0 |
0 |
0.018 |
Average: |
67.3 |
-1.8 |
0.382 |
2 |
0 |
0 |
0.018 |
23 |
34 |
|
[DTP]A:603 |
7 |
1 |
563 |
◊ |
T |
x,y,z |
1_555 |
11 |
2 |
5603 |
71.3 |
0.2 |
0.559 |
1 |
0 |
0 |
0.003 |
35 |
|
[DTP]C:601 |
7 |
1 |
561 |
◊ |
E |
x,y,z |
1_555 |
11 |
2 |
5555 |
69.2 |
0.2 |
0.579 |
1 |
0 |
0 |
0.003 |
Average: |
70.2 |
0.2 |
0.569 |
1 |
0 |
0 |
0.003 |
24 |
36 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
9 |
29671 |
57.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.136 |
37 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
29635 |
55.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
56.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.136 |
25 |
38 |
|
[EDO]D:503 |
4 |
1 |
185 |
f |
B |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
21225 |
46.9 |
0.9 |
0.845 |
1 |
0 |
0 |
0.000 |
26 |
39 |
|
[MG]C:602 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
29635 |
35.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.087 |
40 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
29671 |
34.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.087 |
Average: |
35.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.087 |
27 |
41 |
|
[DTP]A:603 |
5 |
1 |
563 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.085 |
42 |
|
[DTP]C:601 |
5 |
1 |
561 |
f |
[MG]C:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.085 |
Average: |
33.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.085 |
28 |
43 |
|
F |
5 |
2 |
4552 |
◊ |
T |
x,y-1,z |
1_545 |
6 |
1 |
5603 |
30.8 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
D |
5 |
4 |
21429 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
29671 |
20.7 |
0.4 |
0.711 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[EDO]B:502 |
2 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
29635 |
20.3 |
0.8 |
0.899 |
0 |
0 |
0 |
0.000 |
31 |
46 |
|
[SUC]D:501 |
1 |
1 |
452 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
4552 |
17.0 |
-1.3 |
0.204 |
0 |
0 |
0 |
0.036 |
47 |
|
[SUC]B:501 |
1 |
1 |
455 |
f |
P |
x,y,z |
1_555 |
1 |
1 |
4636 |
7.1 |
-0.5 |
0.207 |
0 |
0 |
0 |
0.036 |
Average: |
12.1 |
-0.9 |
0.206 |
0 |
0 |
0 |
0.036 |
32 |
48 |
|
F |
4 |
2 |
4552 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
29671 |
16.3 |
-0.2 |
0.592 |
0 |
0 |
0 |
0.000 |
33 |
49 |
|
[MG]A:602 |
1 |
1 |
98 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
5603 |
11.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.021 |
50 |
|
[MG]C:603 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
5555 |
1.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
6.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.021 |
34 |
51 |
|
D |
1 |
1 |
21429 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21225 |
2.3 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
|