| ## |
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 |
|
D |
183 |
45 |
8343 |
◊ |
C |
x,y,z |
1_555 |
176 |
46 |
8874 |
1635.4 |
-17.5 |
0.109 |
27 |
2 |
0 |
0.540 |
2 |
|
B |
169 |
42 |
8314 |
◊ |
A |
x,y,z |
1_555 |
173 |
44 |
8489 |
1532.8 |
-14.7 |
0.173 |
31 |
2 |
0 |
0.540 |
3 |
|
F |
161 |
42 |
8214 |
◊ |
E |
x,y,z |
1_555 |
162 |
40 |
8395 |
1469.7 |
-16.6 |
0.118 |
22 |
0 |
0 |
0.540 |
| Average: |
1546.0 |
-16.3 |
0.133 |
27 |
1 |
0 |
0.540 |
| 2 |
4 |
|
B |
81 |
22 |
8314 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
90 |
24 |
8395 |
717.5 |
2.5 |
0.838 |
14 |
11 |
0 |
0.000 |
5 |
|
C |
79 |
21 |
8874 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
83 |
21 |
8489 |
645.7 |
1.0 |
0.721 |
12 |
3 |
0 |
0.000 |
| Average: |
681.6 |
1.8 |
0.779 |
13 |
7 |
0 |
0.000 |
| 3 |
6 |
|
C |
62 |
16 |
8874 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
8489 |
539.8 |
-4.4 |
0.304 |
6 |
0 |
0 |
0.046 |
| 4 |
7 |
|
F |
64 |
19 |
8214 |
◊ |
D |
x,y,z |
1_555 |
60 |
19 |
8343 |
531.1 |
3.1 |
0.848 |
8 |
6 |
0 |
0.000 |
| 5 |
8 |
|
E |
48 |
14 |
8395 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
51 |
16 |
8214 |
464.4 |
-4.3 |
0.289 |
3 |
1 |
0 |
0.000 |
| 6 |
9 |
|
[4TG]A:401 |
30 |
1 |
671 |
f |
A |
x,y,z |
1_555 |
55 |
19 |
8489 |
366.6 |
-5.6 |
0.473 |
11 |
0 |
0 |
0.265 |
10 |
|
[4TG]C:401 |
30 |
1 |
664 |
f |
C |
x,y,z |
1_555 |
51 |
19 |
8874 |
361.8 |
-6.1 |
0.407 |
11 |
0 |
0 |
0.265 |
11 |
|
[4TG]B:401 |
31 |
1 |
667 |
f |
B |
x,y,z |
1_555 |
54 |
18 |
8314 |
354.8 |
-5.3 |
0.465 |
9 |
0 |
0 |
0.265 |
| Average: |
361.0 |
-5.7 |
0.448 |
10 |
0 |
0 |
0.265 |
| 7 |
12 |
|
D |
50 |
11 |
8343 |
◊ |
A |
x,y,z |
1_555 |
38 |
8 |
8489 |
347.1 |
3.0 |
0.845 |
12 |
1 |
0 |
0.016 |
| 8 |
13 |
|
C |
40 |
14 |
8874 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
24 |
5 |
8874 |
293.9 |
-3.5 |
0.197 |
2 |
0 |
0 |
0.000 |
| 9 |
14 |
|
[4TG]A:401 |
20 |
1 |
671 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
8314 |
189.4 |
-2.0 |
0.354 |
2 |
0 |
0 |
0.070 |
15 |
|
[4TG]B:401 |
19 |
1 |
667 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
8489 |
147.4 |
-1.4 |
0.458 |
2 |
0 |
0 |
0.070 |
16 |
|
[4TG]C:401 |
18 |
1 |
664 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
8343 |
128.2 |
-1.0 |
0.179 |
0 |
0 |
0 |
0.070 |
| Average: |
155.0 |
-1.5 |
0.330 |
1 |
0 |
0 |
0.070 |
| 10 |
17 |
|
C |
19 |
8 |
8874 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
8 |
8343 |
188.5 |
1.3 |
0.746 |
3 |
0 |
0 |
0.000 |
| 11 |
18 |
|
F |
16 |
5 |
8214 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
8489 |
183.2 |
-0.8 |
0.535 |
1 |
0 |
0 |
0.000 |
| 12 |
19 |
|
B |
23 |
7 |
8314 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
15 |
7 |
8874 |
148.9 |
1.1 |
0.762 |
0 |
0 |
0 |
0.000 |
| 13 |
20 |
|
C |
14 |
5 |
8874 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
3 |
8314 |
118.8 |
-1.3 |
0.372 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[PO4]E:404 |
5 |
1 |
189 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
8395 |
110.3 |
-7.4 |
0.527 |
5 |
0 |
0 |
0.197 |
| 15 |
22 |
|
A |
9 |
3 |
8489 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
13 |
4 |
8395 |
103.9 |
-0.9 |
0.472 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
15 |
4 |
8314 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
9 |
3 |
8214 |
88.4 |
-0.1 |
0.620 |
1 |
0 |
0 |
0.000 |
24 |
|
D |
6 |
1 |
8343 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
12 |
4 |
8489 |
81.6 |
1.4 |
0.784 |
1 |
1 |
0 |
0.000 |
| Average: |
91.3 |
0.1 |
0.625 |
1 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[EDO]E:402 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
16 |
7 |
8395 |
103.0 |
3.1 |
0.505 |
3 |
0 |
0 |
0.000 |
26 |
|
[EDO]B:403 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
8314 |
98.4 |
2.7 |
0.286 |
4 |
0 |
0 |
0.000 |
| Average: |
100.7 |
2.9 |
0.395 |
4 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[EDO]F:402 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
18 |
6 |
8214 |
96.3 |
3.1 |
0.475 |
1 |
0 |
0 |
0.000 |
| 18 |
28 |
|
F |
10 |
3 |
8214 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
10 |
4 |
8395 |
87.8 |
0.1 |
0.607 |
3 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[EDO]E:403 |
4 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
15 |
7 |
8395 |
84.7 |
3.0 |
0.299 |
1 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[EDO]A:404 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
8489 |
84.4 |
2.4 |
0.438 |
1 |
0 |
0 |
0.000 |
| 21 |
31 |
|
C |
15 |
4 |
8874 |
f |
[EDO]A:403 |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
185 |
82.3 |
2.3 |
0.272 |
4 |
0 |
0 |
0.000 |
| 22 |
32 |
|
B |
7 |
4 |
8314 |
◊ |
D |
-x-1,y-1/2,-z-1 |
2_444 |
8 |
2 |
8343 |
70.4 |
0.2 |
0.668 |
1 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[CL]E:401 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
8395 |
68.9 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.409 |
34 |
|
[CL]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8489 |
68.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.409 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8314 |
68.4 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.409 |
36 |
|
[CL]D:401 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8343 |
67.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.409 |
37 |
|
[CL]F:401 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
8214 |
66.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.409 |
| Average: |
68.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.409 |
| 24 |
38 |
|
F |
9 |
3 |
8214 |
x |
F |
-x-1,y-1/2,-z |
2_445 |
6 |
2 |
8214 |
63.8 |
0.2 |
0.632 |
1 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[EDO]A:403 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
8489 |
63.2 |
1.5 |
0.220 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[CL]D:402 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
8343 |
60.5 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.128 |
| 27 |
41 |
|
[NA]C:402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
8874 |
56.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.111 |
| 28 |
42 |
|
F |
7 |
2 |
8214 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
8874 |
51.2 |
-0.4 |
0.466 |
0 |
0 |
0 |
0.000 |
| 29 |
43 |
|
D |
6 |
2 |
8343 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
8314 |
51.1 |
-1.2 |
0.215 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
4 |
1 |
8489 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
4 |
1 |
8214 |
48.3 |
-0.8 |
0.310 |
0 |
0 |
0 |
0.000 |
| Average: |
49.7 |
-1.0 |
0.263 |
0 |
0 |
0 |
0.000 |
| 30 |
45 |
|
[EDO]F:402 |
3 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
3 |
2 |
8395 |
41.6 |
1.6 |
0.976 |
2 |
0 |
0 |
0.000 |
| 31 |
46 |
|
C |
3 |
1 |
8874 |
◊ |
[4TG]A:401 |
-x-1,y-1/2,-z-1 |
2_444 |
6 |
1 |
671 |
41.2 |
0.3 |
0.668 |
1 |
0 |
0 |
0.000 |
47 |
|
[4TG]B:401 |
5 |
1 |
667 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
4 |
1 |
8395 |
37.7 |
-0.2 |
0.595 |
1 |
0 |
0 |
0.000 |
| Average: |
39.5 |
0.0 |
0.632 |
1 |
0 |
0 |
0.000 |
| 32 |
48 |
|
[PO4]E:404 |
4 |
1 |
189 |
f |
[EDO]E:403 |
x,y,z |
1_555 |
4 |
1 |
185 |
41.2 |
-1.1 |
0.986 |
1 |
0 |
0 |
0.031 |
| 33 |
49 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
8489 |
38.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.068 |
| 34 |
50 |
|
[EDO]A:404 |
2 |
1 |
183 |
f |
[4TG]B:401 |
x,y,z |
1_555 |
7 |
1 |
667 |
38.2 |
1.5 |
0.636 |
1 |
0 |
0 |
0.000 |
| 35 |
51 |
|
[NA]A:405 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
8874 |
37.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 36 |
52 |
|
C |
5 |
3 |
8874 |
◊ |
[NA]C:402 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
36.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
53 |
|
E |
3 |
1 |
8395 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8343 |
34.7 |
-0.7 |
0.278 |
0 |
0 |
0 |
0.000 |
| 38 |
54 |
|
[EDO]E:403 |
3 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
8214 |
33.3 |
0.5 |
0.277 |
0 |
0 |
0 |
0.000 |
| 39 |
55 |
|
C |
5 |
2 |
8874 |
◊ |
[NA]A:405 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
33.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 40 |
56 |
|
[EDO]A:404 |
3 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
8314 |
32.4 |
1.2 |
0.976 |
2 |
0 |
0 |
0.000 |
| 41 |
57 |
|
C |
1 |
1 |
8874 |
◊ |
[CL]D:402 |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
125 |
17.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
[EDO]F:402 |
1 |
1 |
185 |
f |
[EDO]E:403 |
x,y,z |
1_555 |
2 |
1 |
185 |
12.3 |
0.5 |
1.000 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
E |
2 |
1 |
8395 |
x |
E |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
8395 |
5.6 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
A |
1 |
1 |
8489 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
8874 |
4.2 |
0.2 |
0.796 |
0 |
0 |
0 |
0.000 |
| 45 |
61 |
|
F |
3 |
1 |
8214 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
8314 |
3.9 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
| 46 |
62 |
|
E |
1 |
1 |
8395 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8874 |
3.2 |
-0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
| 47 |
63 |
|
[NA]C:402 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8343 |
2.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
|