| ## |
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 |
385 |
98 |
14488 |
◊ |
A |
x,y,z |
1_555 |
327 |
66 |
7987 |
3479.2 |
-46.3 |
0.237 |
33 |
10 |
0 |
1.000 |
2 |
|
D |
374 |
98 |
14247 |
◊ |
C |
x,y,z |
1_555 |
332 |
69 |
8220 |
3451.7 |
-48.7 |
0.209 |
34 |
6 |
0 |
1.000 |
| Average: |
3465.4 |
-47.5 |
0.223 |
34 |
8 |
0 |
1.000 |
| 2 |
3 |
|
F |
116 |
30 |
14722 |
◊ |
B |
x,y,z |
1_555 |
127 |
31 |
14488 |
1041.3 |
-6.9 |
0.543 |
14 |
11 |
0 |
1.000 |
4 |
|
E |
118 |
30 |
14741 |
◊ |
D |
x,y,z |
1_555 |
112 |
29 |
14247 |
1002.8 |
-8.6 |
0.450 |
11 |
9 |
0 |
1.000 |
| Average: |
1022.1 |
-7.7 |
0.497 |
13 |
10 |
0 |
1.000 |
| 3 |
5 |
|
F |
73 |
23 |
14722 |
◊ |
A |
x,y,z |
1_555 |
56 |
13 |
7987 |
628.4 |
-16.7 |
0.020 |
0 |
0 |
0 |
1.000 |
6 |
|
E |
71 |
22 |
14741 |
◊ |
C |
x,y,z |
1_555 |
47 |
12 |
8220 |
601.0 |
-16.8 |
0.011 |
1 |
0 |
0 |
1.000 |
| Average: |
614.7 |
-16.8 |
0.015 |
1 |
0 |
0 |
1.000 |
| 4 |
7 |
|
F |
66 |
12 |
14722 |
◊ |
E |
x,y,z |
1_555 |
67 |
10 |
14741 |
621.5 |
-6.0 |
0.288 |
8 |
4 |
0 |
0.312 |
| 5 |
8 |
|
E |
47 |
16 |
14741 |
◊ |
D |
-x+3,y-1/2,-z+3 |
2_848 |
53 |
17 |
14247 |
456.1 |
-5.1 |
0.265 |
0 |
1 |
0 |
0.000 |
9 |
|
B |
52 |
18 |
14488 |
◊ |
F |
-x+3,y-1/2,-z+2 |
2_847 |
43 |
15 |
14722 |
432.7 |
-4.7 |
0.248 |
0 |
0 |
0 |
0.000 |
| Average: |
444.4 |
-4.9 |
0.257 |
0 |
1 |
0 |
0.000 |
| 6 |
10 |
|
D |
40 |
13 |
14247 |
◊ |
B |
-x+2,y-1/2,-z+2 |
2_747 |
42 |
17 |
14488 |
380.4 |
-4.0 |
0.424 |
1 |
1 |
0 |
0.000 |
| 7 |
11 |
|
[B3P]D:401 |
17 |
1 |
464 |
◊ |
D |
x,y,z |
1_555 |
53 |
17 |
14247 |
323.2 |
5.4 |
0.590 |
7 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[B3P]B:401 |
17 |
1 |
464 |
◊ |
B |
x,y,z |
1_555 |
51 |
17 |
14488 |
318.6 |
3.8 |
0.522 |
8 |
0 |
0 |
0.000 |
| 9 |
13 |
|
F |
23 |
7 |
14722 |
x |
F |
-x+3,y-1/2,-z+2 |
2_847 |
27 |
11 |
14722 |
230.8 |
-2.9 |
0.298 |
1 |
1 |
0 |
0.000 |
14 |
|
E |
22 |
9 |
14741 |
x |
E |
-x+3,y-1/2,-z+3 |
2_848 |
22 |
9 |
14741 |
174.1 |
-2.2 |
0.338 |
0 |
0 |
0 |
0.000 |
| Average: |
202.5 |
-2.6 |
0.318 |
1 |
1 |
0 |
0.000 |
| 10 |
15 |
|
E |
22 |
5 |
14741 |
◊ |
B |
x,y,z |
1_555 |
27 |
6 |
14488 |
191.2 |
-2.3 |
0.401 |
0 |
0 |
0 |
0.138 |
16 |
|
F |
16 |
4 |
14722 |
◊ |
D |
x,y,z |
1_555 |
24 |
5 |
14247 |
160.2 |
-2.2 |
0.355 |
0 |
0 |
0 |
0.138 |
| Average: |
175.7 |
-2.2 |
0.378 |
0 |
0 |
0 |
0.138 |
| 11 |
17 |
|
[PUT]E:401 |
6 |
1 |
247 |
f |
E |
x,y,z |
1_555 |
37 |
13 |
14741 |
167.9 |
4.8 |
0.571 |
3 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[PUT]F:401 |
6 |
1 |
252 |
f |
F |
x,y,z |
1_555 |
32 |
13 |
14722 |
163.6 |
4.8 |
0.564 |
5 |
0 |
0 |
0.000 |
| 13 |
19 |
|
E |
17 |
6 |
14741 |
◊ |
F |
-x+3,y-1/2,-z+3 |
2_848 |
16 |
5 |
14722 |
144.2 |
0.3 |
0.671 |
0 |
1 |
0 |
0.000 |
20 |
|
E |
14 |
5 |
14741 |
◊ |
F |
-x+3,y-1/2,-z+2 |
2_847 |
13 |
4 |
14722 |
129.3 |
2.1 |
0.878 |
0 |
1 |
0 |
0.000 |
| Average: |
136.8 |
1.2 |
0.774 |
0 |
1 |
0 |
0.000 |
| 14 |
21 |
|
B |
12 |
4 |
14488 |
◊ |
F |
x-1,y,z |
1_455 |
16 |
6 |
14722 |
122.0 |
-1.0 |
0.383 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[PYR]B:86 |
5 |
1 |
207 |
cf |
B |
x,y,z |
1_555 |
22 |
7 |
14488 |
98.4 |
2.8 |
0.497 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
F |
7 |
3 |
14722 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
8220 |
97.4 |
-3.1 |
0.118 |
0 |
0 |
0 |
0.114 |
24 |
|
E |
7 |
4 |
14741 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
7987 |
89.6 |
-1.9 |
0.288 |
0 |
0 |
0 |
0.114 |
| Average: |
93.5 |
-2.5 |
0.203 |
0 |
0 |
0 |
0.114 |
| 17 |
25 |
|
[PYR]D:86 |
5 |
1 |
205 |
cf |
D |
x,y,z |
1_555 |
19 |
7 |
14247 |
96.1 |
2.8 |
0.504 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[B3P]B:401 |
7 |
1 |
464 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
7987 |
78.3 |
-0.0 |
0.281 |
1 |
0 |
0 |
0.100 |
| 19 |
27 |
|
[B3P]D:401 |
7 |
1 |
464 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
8220 |
77.4 |
0.8 |
0.373 |
2 |
0 |
0 |
0.100 |
| 20 |
28 |
|
[PYR]D:86 |
5 |
1 |
205 |
◊ |
C |
x,y,z |
1_555 |
16 |
6 |
8220 |
69.1 |
1.5 |
0.000 |
1 |
0 |
0 |
0.000 |
29 |
|
[PYR]B:86 |
5 |
1 |
207 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
7987 |
66.2 |
1.4 |
0.835 |
1 |
0 |
0 |
0.000 |
| Average: |
67.7 |
1.4 |
0.418 |
1 |
0 |
0 |
0.000 |
| 21 |
30 |
|
B |
7 |
4 |
14488 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
2 |
14247 |
49.0 |
0.5 |
0.805 |
1 |
0 |
0 |
0.000 |
| 22 |
31 |
|
B |
4 |
2 |
14488 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
8220 |
35.3 |
1.4 |
0.902 |
0 |
0 |
0 |
0.000 |
| 23 |
32 |
|
C |
3 |
2 |
8220 |
◊ |
F |
-x+3,y-1/2,-z+2 |
2_847 |
5 |
3 |
14722 |
34.2 |
0.3 |
0.680 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
A |
3 |
3 |
7987 |
◊ |
D |
x,y,z-1 |
1_554 |
2 |
2 |
14247 |
16.4 |
-0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
2 |
1 |
14488 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
8220 |
1.8 |
0.0 |
0.657 |
0 |
0 |
0 |
0.000 |
| Average: |
9.1 |
-0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
D |
1 |
1 |
14247 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
14741 |
2.9 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
|