## |
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 |
81 |
19 |
17078 |
◊ |
A |
x,y,z |
1_555 |
98 |
27 |
17034 |
776.9 |
-4.6 |
0.413 |
8 |
1 |
0 |
0.203 |
2 |
|
C |
86 |
24 |
16859 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
75 |
19 |
17034 |
739.7 |
-5.5 |
0.330 |
8 |
4 |
0 |
0.203 |
3 |
|
E |
79 |
21 |
16812 |
◊ |
D |
-x+1,y,-z-1 |
2_654 |
66 |
17 |
16486 |
689.6 |
-4.4 |
0.411 |
7 |
2 |
0 |
0.203 |
4 |
|
D |
77 |
23 |
16486 |
◊ |
C |
-x+3/2,y-1/2,-z |
4_645 |
66 |
16 |
16859 |
686.1 |
-6.6 |
0.228 |
5 |
1 |
0 |
0.203 |
5 |
|
E |
62 |
16 |
16812 |
◊ |
B |
-x+3/2,y-1/2,-z |
4_645 |
84 |
22 |
17078 |
665.4 |
-4.7 |
0.363 |
6 |
0 |
0 |
0.203 |
Average: |
711.5 |
-5.2 |
0.349 |
7 |
2 |
0 |
0.203 |
2 |
6 |
|
D |
49 |
13 |
16486 |
◊ |
A |
-x+2,y,-z |
2_755 |
45 |
12 |
17034 |
373.0 |
2.8 |
0.852 |
11 |
6 |
0 |
0.000 |
3 |
7 |
|
[GDP]A:402 |
26 |
1 |
570 |
f |
A |
x,y,z |
1_555 |
48 |
16 |
17034 |
329.6 |
-4.6 |
0.661 |
13 |
0 |
0 |
0.254 |
8 |
|
[GDP]C:402 |
26 |
1 |
568 |
f |
C |
x,y,z |
1_555 |
46 |
16 |
16859 |
329.1 |
-3.8 |
0.702 |
15 |
0 |
0 |
0.254 |
9 |
|
[GDP]B:402 |
25 |
1 |
571 |
f |
B |
x,y,z |
1_555 |
46 |
15 |
17078 |
328.5 |
-4.2 |
0.676 |
13 |
0 |
0 |
0.254 |
10 |
|
[GDP]E:402 |
28 |
1 |
570 |
f |
E |
x,y,z |
1_555 |
42 |
14 |
16812 |
326.2 |
-4.4 |
0.707 |
14 |
0 |
0 |
0.254 |
11 |
|
[GDP]D:402 |
26 |
1 |
564 |
f |
D |
x,y,z |
1_555 |
44 |
14 |
16486 |
323.9 |
-4.5 |
0.685 |
15 |
0 |
0 |
0.254 |
Average: |
327.5 |
-4.3 |
0.686 |
14 |
0 |
0 |
0.254 |
4 |
12 |
|
C |
24 |
6 |
16859 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
27 |
9 |
17034 |
237.2 |
-0.1 |
0.620 |
1 |
0 |
0 |
0.000 |
5 |
13 |
|
D |
18 |
5 |
16486 |
◊ |
B |
-x+3/2,y-1/2,-z |
4_645 |
19 |
5 |
17078 |
213.1 |
3.3 |
0.928 |
6 |
10 |
0 |
0.000 |
14 |
|
C |
20 |
5 |
16859 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
17034 |
210.1 |
3.5 |
0.928 |
6 |
10 |
0 |
0.000 |
15 |
|
E |
15 |
4 |
16812 |
◊ |
E |
-x+1,y,-z-1 |
2_654 |
15 |
4 |
16812 |
139.1 |
1.3 |
0.842 |
2 |
6 |
0 |
0.000 |
Average: |
187.4 |
2.7 |
0.900 |
5 |
9 |
0 |
0.000 |
6 |
16 |
|
D |
17 |
7 |
16486 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
17078 |
185.2 |
1.7 |
0.823 |
5 |
1 |
0 |
0.000 |
17 |
|
E |
20 |
7 |
16812 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
16859 |
181.4 |
1.1 |
0.768 |
5 |
2 |
0 |
0.000 |
Average: |
183.3 |
1.4 |
0.796 |
5 |
2 |
0 |
0.000 |
7 |
18 |
|
[MES]A:403 |
10 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
17034 |
149.4 |
4.6 |
0.245 |
0 |
0 |
0 |
0.000 |
8 |
19 |
|
[MPD]A:405 |
6 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
31 |
9 |
17078 |
147.2 |
-9.7 |
0.669 |
0 |
0 |
0 |
0.047 |
9 |
20 |
|
[MPD]C:403 |
7 |
1 |
268 |
f |
C |
x,y,z |
1_555 |
30 |
9 |
16859 |
145.9 |
-9.4 |
0.687 |
0 |
0 |
0 |
0.045 |
10 |
21 |
|
[MES]B:403 |
11 |
1 |
334 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
17078 |
141.5 |
4.2 |
0.073 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
D |
17 |
7 |
16486 |
◊ |
[MES]B:403 |
-x+3/2,y-1/2,-z |
4_645 |
10 |
1 |
334 |
140.1 |
4.6 |
0.197 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[MPD]D:403 |
6 |
1 |
278 |
f |
D |
x,y,z |
1_555 |
27 |
8 |
16486 |
137.4 |
-8.8 |
0.689 |
2 |
0 |
0 |
0.047 |
13 |
24 |
|
[MPD]A:404 |
7 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
17034 |
135.9 |
-8.5 |
0.722 |
1 |
0 |
0 |
0.043 |
14 |
25 |
|
[MES]A:403 |
10 |
1 |
334 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
16859 |
132.0 |
4.1 |
0.191 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
[MPD]E:404 |
7 |
1 |
265 |
f |
E |
x,y,z |
1_555 |
33 |
11 |
16812 |
124.3 |
-7.8 |
0.713 |
0 |
0 |
0 |
0.037 |
16 |
27 |
|
A |
14 |
6 |
17034 |
◊ |
A |
-x+2,y,-z+1 |
2_756 |
12 |
6 |
17034 |
120.7 |
3.6 |
0.947 |
4 |
0 |
0 |
0.000 |
28 |
|
C |
11 |
5 |
16859 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
17078 |
110.2 |
2.8 |
0.916 |
3 |
0 |
0 |
0.000 |
29 |
|
E |
11 |
4 |
16812 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
16486 |
104.6 |
3.0 |
0.934 |
3 |
0 |
0 |
0.000 |
Average: |
111.8 |
3.1 |
0.932 |
3 |
0 |
0 |
0.000 |
17 |
30 |
|
[MES]E:403 |
12 |
1 |
335 |
◊ |
[MES]E:403 |
-x+1,y,-z-1 |
2_654 |
12 |
1 |
335 |
114.1 |
5.3 |
0.010 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
[MES]E:403 |
10 |
1 |
335 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
16812 |
97.7 |
2.3 |
0.147 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[MES]E:403 |
11 |
1 |
335 |
◊ |
E |
-x+1,y,-z-1 |
2_654 |
16 |
7 |
16812 |
96.8 |
2.2 |
0.091 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
[MPD]D:403 |
4 |
1 |
278 |
◊ |
E |
-x+1,y,-z-1 |
2_654 |
10 |
4 |
16812 |
76.0 |
-4.6 |
0.656 |
0 |
0 |
0 |
0.022 |
21 |
34 |
|
[MPD]E:404 |
5 |
1 |
265 |
◊ |
B |
-x+3/2,y-1/2,-z |
4_645 |
9 |
4 |
17078 |
74.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.023 |
22 |
35 |
|
D |
9 |
4 |
16486 |
◊ |
[MPD]C:403 |
-x+3/2,y-1/2,-z |
4_645 |
5 |
1 |
268 |
74.7 |
-4.3 |
0.000 |
1 |
0 |
0 |
0.023 |
23 |
36 |
|
[MPD]A:404 |
6 |
1 |
272 |
◊ |
C |
-x+2,y,-z+1 |
2_756 |
9 |
4 |
16859 |
69.3 |
-4.5 |
0.000 |
1 |
0 |
0 |
0.024 |
24 |
37 |
|
[MPD]A:405 |
5 |
1 |
276 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
17034 |
61.9 |
-3.3 |
0.000 |
1 |
0 |
0 |
0.018 |
25 |
38 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
16486 |
50.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.145 |
39 |
|
[MG]C:401 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
16859 |
50.0 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.145 |
40 |
|
[MG]E:401 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
16812 |
49.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.145 |
41 |
|
[MG]B:401 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
17078 |
48.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.145 |
42 |
|
[MG]A:401 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
17034 |
47.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.145 |
Average: |
49.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.145 |
26 |
43 |
|
[GDP]A:402 |
4 |
1 |
570 |
f |
[MG]A:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.122 |
44 |
|
[GDP]E:402 |
4 |
1 |
570 |
f |
[MG]E:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.122 |
45 |
|
[GDP]D:402 |
4 |
1 |
564 |
f |
[MG]D:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.122 |
46 |
|
[GDP]C:402 |
4 |
1 |
568 |
f |
[MG]C:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.122 |
47 |
|
[GDP]B:402 |
3 |
1 |
571 |
f |
[MG]B:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.122 |
Average: |
32.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.122 |
27 |
48 |
|
[GDP]E:402 |
3 |
1 |
570 |
◊ |
E |
-x+1,y,-z-1 |
2_654 |
4 |
2 |
16812 |
31.6 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
49 |
|
[GDP]C:402 |
2 |
1 |
568 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
17034 |
26.4 |
0.6 |
0.706 |
0 |
0 |
0 |
0.000 |
50 |
|
[GDP]A:402 |
1 |
1 |
570 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
16859 |
25.2 |
0.7 |
0.788 |
0 |
0 |
0 |
0.000 |
51 |
|
D |
4 |
2 |
16486 |
◊ |
[GDP]B:402 |
-x+3/2,y-1/2,-z |
4_645 |
2 |
1 |
571 |
24.9 |
0.6 |
0.732 |
0 |
0 |
0 |
0.000 |
52 |
|
[GDP]D:402 |
2 |
1 |
564 |
◊ |
B |
-x+3/2,y-1/2,-z |
4_645 |
4 |
2 |
17078 |
24.0 |
0.6 |
0.738 |
0 |
0 |
0 |
0.000 |
Average: |
26.4 |
0.5 |
0.733 |
0 |
0 |
0 |
0.000 |
28 |
53 |
|
A |
5 |
2 |
17034 |
◊ |
B |
-x+3/2,y-1/2,-z |
4_645 |
6 |
2 |
17078 |
20.9 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
29 |
54 |
|
[MES]E:403 |
2 |
1 |
335 |
◊ |
[GDP]E:402 |
-x+1,y,-z-1 |
2_654 |
3 |
1 |
570 |
9.5 |
0.4 |
0.286 |
0 |
0 |
0 |
0.000 |
30 |
55 |
|
[MES]E:403 |
2 |
1 |
335 |
f |
[GDP]E:402 |
x,y,z |
1_555 |
3 |
1 |
570 |
7.6 |
0.3 |
0.237 |
0 |
0 |
0 |
0.000 |
31 |
56 |
|
[MES]B:403 |
2 |
1 |
334 |
f |
[GDP]B:402 |
x,y,z |
1_555 |
2 |
1 |
571 |
5.4 |
0.2 |
0.115 |
0 |
0 |
0 |
0.000 |
32 |
57 |
|
[GDP]E:402 |
2 |
1 |
570 |
◊ |
[GDP]E:402 |
-x+1,y,-z-1 |
2_654 |
2 |
1 |
570 |
5.0 |
-0.4 |
0.468 |
0 |
0 |
0 |
0.000 |
33 |
58 |
|
[MES]A:403 |
2 |
1 |
334 |
◊ |
[GDP]A:402 |
x,y,z |
1_555 |
1 |
1 |
570 |
1.8 |
0.1 |
0.139 |
0 |
0 |
0 |
0.000 |
34 |
59 |
|
D |
1 |
1 |
16486 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
16859 |
0.9 |
0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[MES]A:403 |
1 |
1 |
334 |
f |
[GDP]C:402 |
x,y,z |
1_555 |
1 |
1 |
568 |
0.8 |
0.0 |
0.278 |
0 |
0 |
0 |
0.000 |
|