| ## |
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 |
41 |
11 |
2765 |
◊ |
C |
x,y,z |
1_555 |
50 |
13 |
2543 |
459.7 |
-5.7 |
0.345 |
6 |
0 |
0 |
1.000 |
2 |
|
H |
53 |
15 |
2602 |
◊ |
G |
-y+1,x-y,z |
3_655 |
49 |
12 |
2499 |
451.3 |
-7.2 |
0.426 |
5 |
0 |
0 |
1.000 |
3 |
|
B |
53 |
14 |
2572 |
◊ |
A |
x,y,z |
1_555 |
46 |
12 |
2451 |
429.6 |
-4.7 |
0.528 |
6 |
0 |
0 |
1.000 |
4 |
|
F |
44 |
12 |
2388 |
◊ |
E |
-y+1,x-y,z |
3_655 |
44 |
14 |
2444 |
428.9 |
-4.0 |
0.633 |
4 |
0 |
0 |
1.000 |
| Average: |
442.4 |
-5.4 |
0.483 |
5 |
0 |
0 |
1.000 |
| 2 |
5 |
|
H |
46 |
12 |
2602 |
◊ |
H |
x-y,-y,-z |
7_555 |
46 |
12 |
2602 |
390.2 |
-2.8 |
0.808 |
9 |
0 |
0 |
0.107 |
| 3 |
6 |
|
H |
32 |
9 |
2602 |
◊ |
G |
x,y,z |
1_555 |
34 |
7 |
2499 |
288.7 |
-3.6 |
0.550 |
6 |
0 |
0 |
0.000 |
7 |
|
F |
34 |
7 |
2388 |
◊ |
C |
x,y,z |
1_555 |
30 |
9 |
2543 |
287.3 |
-4.2 |
0.442 |
5 |
0 |
0 |
0.000 |
8 |
|
E |
29 |
9 |
2444 |
◊ |
A |
x,y,z |
1_555 |
31 |
7 |
2451 |
287.0 |
-4.0 |
0.460 |
6 |
0 |
0 |
0.000 |
9 |
|
D |
31 |
7 |
2765 |
◊ |
B |
-y+1,x-y,z |
3_655 |
29 |
9 |
2572 |
283.4 |
-4.2 |
0.375 |
5 |
0 |
0 |
0.000 |
| Average: |
286.6 |
-4.0 |
0.457 |
6 |
0 |
0 |
0.000 |
| 4 |
10 |
|
G |
25 |
9 |
2499 |
◊ |
E |
x,y,z |
1_555 |
40 |
11 |
2444 |
283.1 |
-4.3 |
0.342 |
2 |
0 |
0 |
0.416 |
11 |
|
C |
31 |
8 |
2543 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
2451 |
265.8 |
-4.0 |
0.333 |
2 |
0 |
0 |
0.416 |
12 |
|
H |
36 |
8 |
2602 |
◊ |
F |
x,y,z |
1_555 |
24 |
9 |
2388 |
264.4 |
-4.2 |
0.379 |
2 |
0 |
0 |
0.416 |
13 |
|
D |
26 |
9 |
2765 |
◊ |
B |
x,y,z |
1_555 |
37 |
9 |
2572 |
253.9 |
-3.8 |
0.341 |
2 |
0 |
0 |
0.416 |
| Average: |
266.8 |
-4.1 |
0.349 |
2 |
0 |
0 |
0.416 |
| 5 |
14 |
|
D |
24 |
5 |
2765 |
◊ |
B |
x,x-y,-z+1/2 |
12_555 |
30 |
8 |
2572 |
221.7 |
-1.0 |
0.662 |
2 |
0 |
0 |
0.000 |
| 6 |
15 |
|
D |
26 |
10 |
2765 |
◊ |
D |
x,x-y,-z+1/2 |
12_555 |
26 |
10 |
2765 |
193.5 |
-0.4 |
0.743 |
0 |
0 |
0 |
0.000 |
| 7 |
16 |
|
C |
14 |
6 |
2543 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
2572 |
128.4 |
-0.2 |
0.705 |
4 |
0 |
0 |
0.074 |
17 |
|
H |
12 |
4 |
2602 |
◊ |
E |
-y+1,x-y,z |
3_655 |
10 |
3 |
2444 |
97.1 |
-0.9 |
0.578 |
2 |
0 |
0 |
0.074 |
| Average: |
112.8 |
-0.6 |
0.642 |
3 |
0 |
0 |
0.074 |
| 8 |
18 |
|
[PG4]D:305 |
9 |
1 |
315 |
◊ |
D |
x,y,z |
1_555 |
19 |
5 |
2765 |
100.9 |
2.0 |
0.193 |
0 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[PG4]H:304 |
7 |
1 |
265 |
◊ |
G |
-y+1,x-y,z |
3_655 |
20 |
6 |
2499 |
98.7 |
2.4 |
0.067 |
1 |
0 |
0 |
0.000 |
| 10 |
20 |
|
[PG4]F:306 |
7 |
1 |
258 |
◊ |
F |
x,y,z |
1_555 |
18 |
5 |
2388 |
97.1 |
2.9 |
0.137 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[PG4]A:302 |
6 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
2451 |
89.5 |
2.3 |
0.137 |
1 |
0 |
0 |
0.000 |
| 12 |
22 |
|
F |
6 |
3 |
2388 |
◊ |
G |
-y+1,x-y,z |
3_655 |
6 |
2 |
2499 |
76.3 |
-2.6 |
0.114 |
0 |
0 |
0 |
0.105 |
23 |
|
D |
6 |
3 |
2765 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
2451 |
75.5 |
-2.5 |
0.126 |
0 |
0 |
0 |
0.105 |
| Average: |
75.9 |
-2.6 |
0.120 |
0 |
0 |
0 |
0.105 |
| 13 |
24 |
|
D |
8 |
3 |
2765 |
◊ |
D |
-x+y+1,y,-z+1/2 |
10_655 |
8 |
3 |
2765 |
73.6 |
-0.4 |
0.606 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[PG4]A:302 |
6 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
2572 |
73.3 |
0.6 |
0.023 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
[PG4]C:303 |
6 |
1 |
250 |
f |
F |
x,y,z |
1_555 |
14 |
2 |
2388 |
71.1 |
1.4 |
0.136 |
0 |
0 |
0 |
0.000 |
| 16 |
27 |
|
[PG4]H:307 |
7 |
1 |
249 |
f |
G |
x,y,z |
1_555 |
11 |
2 |
2499 |
69.9 |
1.2 |
0.008 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[PG4]H:304 |
5 |
1 |
265 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
2602 |
65.7 |
0.8 |
0.041 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[PG4]F:306 |
6 |
1 |
258 |
f |
E |
-y+1,x-y,z |
3_655 |
7 |
3 |
2444 |
64.8 |
-0.1 |
0.014 |
1 |
0 |
0 |
0.114 |
| 19 |
30 |
|
[PG4]E:301 |
4 |
1 |
258 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
2444 |
64.6 |
2.0 |
0.167 |
1 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
2451 |
64.6 |
-7.5 |
0.965 |
2 |
0 |
0 |
0.171 |
| 21 |
32 |
|
[PG4]D:305 |
6 |
1 |
315 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
2543 |
63.0 |
1.0 |
0.160 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
H |
6 |
2 |
2602 |
◊ |
G |
-x+1,-x+y,-z |
9_655 |
7 |
2 |
2499 |
60.4 |
0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[PG4]E:301 |
6 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
12 |
1 |
2451 |
58.4 |
0.9 |
0.008 |
0 |
0 |
0 |
0.000 |
| 24 |
35 |
|
[SO4]D:201 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
2765 |
57.0 |
-6.0 |
0.958 |
4 |
0 |
0 |
0.420 |
| 25 |
36 |
|
[PG4]H:307 |
4 |
1 |
249 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
2602 |
53.0 |
1.8 |
0.168 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[PG4]C:303 |
3 |
1 |
250 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
2543 |
51.1 |
2.1 |
0.496 |
0 |
0 |
0 |
0.000 |
| 27 |
38 |
|
G |
6 |
2 |
2499 |
◊ |
G |
y,x,-z |
11_555 |
6 |
2 |
2499 |
39.3 |
0.6 |
0.833 |
0 |
0 |
0 |
0.000 |
| 28 |
39 |
|
[PG4]F:306 |
3 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
2543 |
37.4 |
0.6 |
0.138 |
0 |
0 |
0 |
0.000 |
| 29 |
40 |
|
[PG4]H:304 |
2 |
1 |
265 |
f |
H |
-y+1,x-y,z |
3_655 |
4 |
1 |
2602 |
29.4 |
0.2 |
0.195 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
H |
1 |
1 |
2602 |
x |
H |
-y+1,x-y,z |
3_655 |
1 |
1 |
2602 |
27.8 |
-0.9 |
0.121 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
1 |
1 |
2543 |
x |
E |
-y+1,x-y,z |
3_655 |
1 |
1 |
2444 |
25.6 |
-0.8 |
0.101 |
0 |
0 |
0 |
0.000 |
43 |
|
C |
1 |
1 |
2543 |
x |
B |
-y+1,x-y,z |
3_655 |
1 |
1 |
2572 |
25.2 |
-0.8 |
0.108 |
0 |
0 |
0 |
0.000 |
44 |
|
E |
1 |
1 |
2444 |
x |
B |
x,y,z |
1_555 |
1 |
1 |
2572 |
25.0 |
-0.8 |
0.109 |
0 |
0 |
0 |
0.000 |
| Average: |
25.9 |
-0.8 |
0.110 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
[PG4]A:302 |
3 |
1 |
252 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
2444 |
27.5 |
0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
46 |
|
[PG4]D:305 |
3 |
1 |
315 |
f |
B |
-y+1,x-y,z |
3_655 |
3 |
1 |
2572 |
27.0 |
-0.4 |
0.169 |
0 |
0 |
0 |
0.100 |
| 33 |
47 |
|
[SO4]D:201 |
3 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
2543 |
23.9 |
-2.4 |
0.907 |
0 |
0 |
0 |
0.132 |
| 34 |
48 |
|
H |
6 |
4 |
2602 |
◊ |
E |
-x+1,-x+y,-z |
9_655 |
4 |
2 |
2444 |
22.5 |
0.0 |
0.695 |
0 |
0 |
0 |
0.000 |
| 35 |
49 |
|
H |
3 |
2 |
2602 |
◊ |
F |
x-y,-y,-z |
7_555 |
2 |
2 |
2388 |
18.6 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
| 36 |
50 |
|
[SO4]A:202 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
2572 |
11.2 |
-1.2 |
0.804 |
0 |
0 |
0 |
0.025 |
|