## |
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 |
114 |
29 |
8645 |
◊ |
A |
x,y,z |
1_555 |
129 |
41 |
13884 |
1200.2 |
-9.1 |
0.240 |
14 |
1 |
0 |
0.325 |
2 |
|
D |
110 |
32 |
8659 |
◊ |
C |
x,y,z |
1_555 |
127 |
41 |
13790 |
1178.5 |
-12.1 |
0.165 |
12 |
0 |
0 |
0.325 |
3 |
|
J |
112 |
29 |
8522 |
◊ |
I |
x,y,z |
1_555 |
118 |
39 |
13903 |
1137.2 |
-11.9 |
0.241 |
10 |
2 |
0 |
0.325 |
4 |
|
F |
108 |
30 |
8619 |
◊ |
E |
x,y,z |
1_555 |
118 |
40 |
13981 |
1109.4 |
-10.5 |
0.169 |
14 |
0 |
0 |
0.325 |
5 |
|
H |
93 |
28 |
8913 |
◊ |
G |
x,y,z |
1_555 |
118 |
36 |
13916 |
1035.6 |
-8.8 |
0.510 |
10 |
1 |
0 |
0.325 |
Average: |
1132.2 |
-10.5 |
0.265 |
12 |
1 |
0 |
0.325 |
2 |
6 |
|
B |
59 |
17 |
8645 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
69 |
18 |
13790 |
588.4 |
-3.3 |
0.475 |
9 |
1 |
0 |
0.000 |
7 |
|
I |
68 |
20 |
13903 |
◊ |
D |
x-1,y,z |
1_455 |
58 |
17 |
8659 |
585.9 |
-1.3 |
0.606 |
7 |
1 |
0 |
0.000 |
8 |
|
F |
58 |
14 |
8619 |
◊ |
A |
x,y,z |
1_555 |
68 |
18 |
13884 |
567.7 |
-3.1 |
0.406 |
7 |
1 |
0 |
0.000 |
9 |
|
H |
55 |
15 |
8913 |
◊ |
E |
x,y,z |
1_555 |
59 |
16 |
13981 |
546.7 |
-2.6 |
0.564 |
6 |
2 |
0 |
0.000 |
10 |
|
J |
65 |
20 |
8522 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
59 |
16 |
13916 |
509.9 |
-2.7 |
0.693 |
4 |
0 |
0 |
0.000 |
Average: |
559.7 |
-2.6 |
0.549 |
7 |
1 |
0 |
0.000 |
3 |
11 |
|
I |
62 |
21 |
13903 |
◊ |
C |
x-1,y,z |
1_455 |
64 |
18 |
13790 |
582.9 |
-5.8 |
0.288 |
8 |
3 |
0 |
0.000 |
12 |
|
G |
57 |
16 |
13916 |
◊ |
E |
x,y,z |
1_555 |
56 |
19 |
13981 |
561.3 |
-6.6 |
0.260 |
9 |
4 |
0 |
0.000 |
13 |
|
E |
54 |
15 |
13981 |
◊ |
A |
x,y,z |
1_555 |
61 |
20 |
13884 |
558.9 |
-5.2 |
0.271 |
6 |
3 |
0 |
0.000 |
14 |
|
A |
49 |
13 |
13884 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
55 |
20 |
13790 |
552.4 |
-4.2 |
0.349 |
4 |
4 |
0 |
0.000 |
15 |
|
I |
50 |
12 |
13903 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
56 |
20 |
13916 |
539.7 |
-5.6 |
0.273 |
3 |
0 |
0 |
0.000 |
Average: |
559.0 |
-5.5 |
0.288 |
6 |
3 |
0 |
0.000 |
4 |
16 |
|
I |
58 |
18 |
13903 |
◊ |
E |
x,y,z |
1_555 |
54 |
16 |
13981 |
513.7 |
0.4 |
0.739 |
8 |
13 |
0 |
0.000 |
5 |
17 |
|
C |
56 |
20 |
13790 |
◊ |
A |
x,y,z |
1_555 |
55 |
18 |
13884 |
509.3 |
1.3 |
0.777 |
14 |
6 |
0 |
0.000 |
6 |
18 |
|
[GDP]H:202 |
28 |
1 |
556 |
f |
H |
x,y,z |
1_555 |
54 |
24 |
8913 |
340.9 |
-5.9 |
0.649 |
16 |
0 |
0 |
0.315 |
19 |
|
[GDP]F:202 |
28 |
1 |
563 |
f |
F |
x,y,z |
1_555 |
57 |
23 |
8619 |
333.3 |
-5.8 |
0.498 |
15 |
0 |
0 |
0.315 |
20 |
|
[GDP]D:202 |
28 |
1 |
553 |
f |
D |
x,y,z |
1_555 |
56 |
22 |
8659 |
332.2 |
-6.0 |
0.503 |
14 |
0 |
0 |
0.315 |
21 |
|
[GDP]B:202 |
28 |
1 |
560 |
f |
B |
x,y,z |
1_555 |
52 |
22 |
8645 |
327.3 |
-5.7 |
0.573 |
18 |
0 |
0 |
0.315 |
22 |
|
[GDP]J:202 |
26 |
1 |
567 |
f |
J |
x,y,z |
1_555 |
48 |
25 |
8522 |
326.9 |
-7.6 |
0.563 |
16 |
0 |
0 |
0.315 |
Average: |
332.1 |
-6.2 |
0.557 |
16 |
0 |
0 |
0.315 |
7 |
23 |
|
G |
17 |
6 |
13916 |
x |
G |
x-1/2,-y-1/2,-z |
4_445 |
15 |
7 |
13916 |
149.3 |
-1.8 |
0.430 |
1 |
0 |
0 |
0.000 |
8 |
24 |
|
F |
16 |
6 |
8619 |
◊ |
C |
x-1,y,z |
1_455 |
15 |
4 |
13790 |
141.7 |
-1.5 |
0.363 |
1 |
0 |
0 |
0.000 |
25 |
|
H |
11 |
4 |
8913 |
◊ |
I |
x,y-1,z |
1_545 |
13 |
4 |
13903 |
108.3 |
-0.8 |
0.480 |
0 |
0 |
0 |
0.000 |
Average: |
125.0 |
-1.1 |
0.422 |
1 |
0 |
0 |
0.000 |
9 |
26 |
|
[SO4]I:401 |
5 |
1 |
185 |
f |
I |
x,y,z |
1_555 |
12 |
6 |
13903 |
84.1 |
-13.0 |
0.621 |
5 |
0 |
0 |
0.251 |
10 |
27 |
|
[SO4]C:401 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
13790 |
81.1 |
-10.7 |
0.673 |
1 |
0 |
0 |
0.202 |
11 |
28 |
|
[BEF]D:203 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
8659 |
77.5 |
2.0 |
0.630 |
8 |
0 |
0 |
0.029 |
12 |
29 |
|
[BEF]F:203 |
4 |
1 |
181 |
f |
F |
x,y,z |
1_555 |
19 |
10 |
8619 |
76.6 |
1.9 |
0.643 |
6 |
0 |
0 |
0.013 |
13 |
30 |
|
[BEF]H:203 |
4 |
1 |
181 |
f |
H |
x,y,z |
1_555 |
19 |
10 |
8913 |
76.0 |
1.6 |
0.613 |
5 |
0 |
0 |
0.016 |
14 |
31 |
|
[BEF]B:203 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
8645 |
75.3 |
1.9 |
0.661 |
5 |
0 |
0 |
0.006 |
15 |
32 |
|
[SO4]A:401 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13884 |
74.6 |
-10.1 |
0.780 |
2 |
0 |
0 |
0.206 |
16 |
33 |
|
[BEF]J:203 |
4 |
1 |
181 |
f |
J |
x,y,z |
1_555 |
17 |
10 |
8522 |
73.3 |
1.5 |
0.657 |
5 |
0 |
0 |
0.012 |
17 |
34 |
|
[GDP]J:202 |
11 |
1 |
567 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
13903 |
68.8 |
-0.8 |
0.764 |
1 |
0 |
0 |
0.064 |
35 |
|
[GDP]B:202 |
10 |
1 |
560 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13884 |
57.5 |
-0.2 |
0.776 |
1 |
0 |
0 |
0.064 |
36 |
|
[GDP]F:202 |
8 |
1 |
563 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
13981 |
56.8 |
-0.5 |
0.730 |
3 |
0 |
0 |
0.064 |
37 |
|
[GDP]H:202 |
7 |
1 |
556 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
13916 |
55.6 |
-1.8 |
0.593 |
2 |
0 |
0 |
0.064 |
38 |
|
[GDP]D:202 |
8 |
1 |
553 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13790 |
54.5 |
-0.3 |
0.750 |
2 |
0 |
0 |
0.064 |
Average: |
58.6 |
-0.7 |
0.722 |
2 |
0 |
0 |
0.064 |
18 |
39 |
|
[SO4]E:401 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
13981 |
68.8 |
-9.4 |
0.797 |
3 |
0 |
0 |
0.179 |
19 |
40 |
|
[SO4]E:402 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
13981 |
53.6 |
-5.2 |
0.946 |
2 |
0 |
0 |
0.101 |
20 |
41 |
|
[BEF]J:203 |
4 |
1 |
181 |
◊ |
I |
x,y,z |
1_555 |
6 |
3 |
13903 |
46.6 |
1.8 |
0.588 |
3 |
0 |
0 |
0.000 |
21 |
42 |
|
[BEF]F:203 |
4 |
1 |
181 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
13981 |
41.7 |
1.7 |
0.588 |
2 |
0 |
0 |
0.000 |
22 |
43 |
|
[BEF]H:203 |
4 |
1 |
181 |
f |
[GDP]H:202 |
x,y,z |
1_555 |
5 |
1 |
556 |
40.2 |
-1.8 |
0.312 |
0 |
0 |
0 |
0.043 |
23 |
44 |
|
[BEF]J:203 |
4 |
1 |
181 |
f |
[GDP]J:202 |
x,y,z |
1_555 |
5 |
1 |
567 |
40.1 |
-2.1 |
0.297 |
0 |
0 |
0 |
0.035 |
24 |
45 |
|
[BEF]F:203 |
4 |
1 |
181 |
f |
[GDP]F:202 |
x,y,z |
1_555 |
5 |
1 |
563 |
38.9 |
-1.9 |
0.293 |
0 |
0 |
0 |
0.032 |
25 |
46 |
|
[BEF]B:203 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13884 |
38.2 |
1.5 |
0.577 |
3 |
0 |
0 |
0.000 |
26 |
47 |
|
[BEF]B:203 |
4 |
1 |
182 |
f |
[GDP]B:202 |
x,y,z |
1_555 |
6 |
1 |
560 |
37.9 |
-1.8 |
0.325 |
0 |
0 |
0 |
0.034 |
27 |
48 |
|
[BEF]D:203 |
4 |
1 |
182 |
f |
[GDP]D:202 |
x,y,z |
1_555 |
4 |
1 |
553 |
37.4 |
-2.0 |
0.252 |
0 |
0 |
0 |
0.037 |
28 |
49 |
|
A |
5 |
3 |
13884 |
◊ |
[SO4]C:401 |
-x,y-1/2,-z-1/2 |
3_544 |
4 |
1 |
184 |
36.5 |
-4.0 |
0.875 |
1 |
0 |
0 |
0.000 |
29 |
50 |
|
[BEF]H:203 |
4 |
1 |
181 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
13916 |
35.6 |
1.6 |
0.599 |
2 |
0 |
0 |
0.000 |
30 |
51 |
|
[SO4]E:402 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
8913 |
35.1 |
-4.1 |
0.838 |
1 |
0 |
0 |
0.000 |
31 |
52 |
|
[BEF]D:203 |
3 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
13790 |
33.7 |
1.4 |
0.385 |
2 |
0 |
0 |
0.000 |
32 |
53 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
8522 |
32.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.093 |
54 |
|
[MG]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8645 |
31.6 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.093 |
55 |
|
[MG]F:201 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
12 |
5 |
8619 |
30.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.093 |
56 |
|
[MG]H:201 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
8913 |
29.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.093 |
57 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
8659 |
29.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
30.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.093 |
33 |
58 |
|
[GDP]H:202 |
5 |
1 |
556 |
f |
[MG]H:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.100 |
59 |
|
[GDP]J:202 |
5 |
1 |
567 |
f |
[MG]J:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.100 |
60 |
|
[GDP]F:202 |
4 |
1 |
563 |
f |
[MG]F:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.100 |
61 |
|
[GDP]B:202 |
4 |
1 |
560 |
f |
[MG]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.100 |
62 |
|
[GDP]D:202 |
6 |
1 |
553 |
f |
[MG]D:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
25.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.100 |
34 |
63 |
|
D |
2 |
2 |
8659 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13884 |
22.2 |
-0.7 |
0.126 |
0 |
0 |
0 |
0.000 |
64 |
|
B |
4 |
2 |
8645 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
13790 |
18.2 |
-0.6 |
0.211 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
-0.6 |
0.169 |
0 |
0 |
0 |
0.000 |
35 |
65 |
|
[BEF]D:203 |
3 |
1 |
182 |
f |
[MG]D:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.038 |
36 |
66 |
|
[BEF]F:203 |
3 |
1 |
181 |
f |
[MG]F:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.034 |
37 |
67 |
|
[BEF]B:203 |
2 |
1 |
182 |
f |
[MG]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.034 |
38 |
68 |
|
[BEF]H:203 |
3 |
1 |
181 |
f |
[MG]H:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.046 |
39 |
69 |
|
[BEF]J:203 |
3 |
1 |
181 |
f |
[MG]J:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.027 |
40 |
70 |
|
F |
3 |
1 |
8619 |
◊ |
A |
x-1,y,z |
1_455 |
3 |
2 |
13884 |
16.4 |
0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
41 |
71 |
|
J |
3 |
1 |
8522 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
8659 |
15.1 |
0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
[MG]D:201 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13790 |
11.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.013 |
73 |
|
[MG]H:201 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
13916 |
11.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.013 |
74 |
|
[MG]F:201 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
13981 |
8.4 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
75 |
|
[MG]J:201 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
13903 |
7.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
76 |
|
[MG]B:201 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13884 |
4.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
8.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.013 |
43 |
77 |
|
H |
1 |
1 |
8913 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
8619 |
8.5 |
-0.3 |
0.228 |
0 |
0 |
0 |
0.000 |
|