## |
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 |
129 |
35 |
12108 |
◊ |
C |
x,y,z |
1_555 |
133 |
35 |
12461 |
1262.9 |
-23.1 |
0.003 |
8 |
0 |
0 |
0.772 |
2 |
|
B |
130 |
36 |
12587 |
◊ |
A |
x,y,z |
1_555 |
132 |
36 |
12548 |
1251.6 |
-24.7 |
0.001 |
7 |
0 |
0 |
0.772 |
Average: |
1257.3 |
-23.9 |
0.002 |
8 |
0 |
0 |
0.772 |
2 |
3 |
|
C |
80 |
26 |
12461 |
◊ |
A |
x,y,z |
1_555 |
76 |
25 |
12548 |
718.7 |
-0.4 |
0.649 |
9 |
1 |
0 |
0.126 |
4 |
|
D |
67 |
23 |
12108 |
◊ |
B |
x,y,z |
1_555 |
77 |
26 |
12587 |
688.4 |
-2.0 |
0.530 |
10 |
0 |
0 |
0.126 |
Average: |
703.6 |
-1.2 |
0.590 |
10 |
1 |
0 |
0.126 |
3 |
5 |
|
[5AQ]B:302 |
24 |
1 |
571 |
f |
B |
x,y,z |
1_555 |
33 |
10 |
12587 |
253.2 |
-0.8 |
0.569 |
5 |
0 |
0 |
0.187 |
6 |
|
[5AQ]A:303 |
26 |
1 |
565 |
f |
A |
x,y,z |
1_555 |
32 |
9 |
12548 |
249.2 |
-1.6 |
0.473 |
5 |
0 |
0 |
0.187 |
7 |
|
[5AQ]C:301 |
22 |
1 |
576 |
f |
C |
x,y,z |
1_555 |
29 |
9 |
12461 |
217.7 |
-1.6 |
0.439 |
4 |
0 |
0 |
0.187 |
Average: |
240.0 |
-1.3 |
0.494 |
5 |
0 |
0 |
0.187 |
4 |
8 |
|
[5AQ]D:302 |
24 |
1 |
557 |
f |
D |
x,y,z |
1_555 |
32 |
10 |
12108 |
234.0 |
-1.8 |
0.488 |
3 |
0 |
0 |
0.092 |
5 |
9 |
|
D |
26 |
10 |
12108 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
29 |
8 |
12587 |
233.2 |
0.0 |
0.486 |
3 |
2 |
0 |
0.000 |
6 |
10 |
|
A |
22 |
8 |
12548 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
23 |
5 |
12587 |
228.2 |
-2.6 |
0.213 |
3 |
3 |
0 |
0.000 |
7 |
11 |
|
A |
17 |
6 |
12548 |
x |
A |
-x,y-1/2,-z-1 |
2_544 |
26 |
7 |
12548 |
221.3 |
-1.5 |
0.382 |
2 |
3 |
0 |
0.000 |
8 |
12 |
|
B |
25 |
7 |
12587 |
x |
B |
-x+1,y-1/2,-z-1 |
2_644 |
27 |
9 |
12587 |
211.3 |
-1.0 |
0.482 |
3 |
0 |
0 |
0.000 |
9 |
13 |
|
[5AQ]B:302 |
16 |
1 |
571 |
◊ |
D |
x,y,z |
1_555 |
31 |
11 |
12108 |
199.4 |
-0.9 |
0.564 |
3 |
0 |
0 |
0.072 |
14 |
|
[5AQ]C:301 |
16 |
1 |
576 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
12548 |
194.7 |
-0.7 |
0.586 |
3 |
0 |
0 |
0.072 |
15 |
|
[5AQ]A:303 |
17 |
1 |
565 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
12461 |
187.3 |
-1.1 |
0.559 |
2 |
0 |
0 |
0.072 |
Average: |
193.8 |
-0.9 |
0.570 |
3 |
0 |
0 |
0.072 |
10 |
16 |
|
[CIT]B:301 |
12 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
12587 |
181.4 |
1.5 |
0.487 |
3 |
0 |
0 |
0.000 |
11 |
17 |
|
[CIT]D:301 |
12 |
1 |
310 |
f |
D |
x,y,z |
1_555 |
27 |
12 |
12108 |
180.3 |
0.7 |
0.430 |
6 |
0 |
0 |
0.057 |
12 |
18 |
|
[CIT]A:301 |
12 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
12548 |
177.2 |
0.6 |
0.482 |
7 |
0 |
0 |
0.067 |
13 |
19 |
|
C |
18 |
7 |
12461 |
◊ |
D |
x-1,y,z |
1_455 |
29 |
11 |
12108 |
173.7 |
0.4 |
0.666 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[5AQ]D:302 |
16 |
1 |
557 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
12587 |
166.5 |
0.4 |
0.686 |
2 |
0 |
0 |
0.006 |
15 |
21 |
|
C |
17 |
7 |
12461 |
◊ |
B |
x-1,y,z-1 |
1_454 |
12 |
5 |
12587 |
133.8 |
-1.3 |
0.381 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[GOL]A:302 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
12548 |
92.2 |
-0.2 |
0.543 |
1 |
0 |
0 |
0.017 |
17 |
23 |
|
[GOL]A:302 |
6 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
12461 |
89.8 |
0.1 |
0.639 |
0 |
0 |
0 |
0.000 |
18 |
24 |
|
C |
12 |
8 |
12461 |
◊ |
A |
x,y,z-1 |
1_554 |
14 |
9 |
12548 |
70.8 |
-0.2 |
0.514 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
10 |
5 |
12108 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
6 |
12587 |
65.1 |
0.9 |
0.764 |
0 |
0 |
0 |
0.000 |
Average: |
67.9 |
0.4 |
0.639 |
0 |
0 |
0 |
0.000 |
19 |
26 |
|
D |
8 |
3 |
12108 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
12548 |
70.0 |
0.7 |
0.753 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
6 |
3 |
12461 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
12587 |
49.9 |
0.7 |
0.760 |
0 |
0 |
0 |
0.000 |
Average: |
60.0 |
0.7 |
0.756 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
C |
5 |
3 |
12461 |
x |
C |
-x,y-1/2,-z-2 |
2_543 |
6 |
2 |
12461 |
55.5 |
1.0 |
0.823 |
2 |
2 |
0 |
0.000 |
21 |
29 |
|
A |
8 |
6 |
12548 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
5 |
12587 |
53.3 |
0.4 |
0.546 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
A |
4 |
1 |
12548 |
◊ |
B |
-x+1,y-1/2,-z-1 |
2_644 |
2 |
1 |
12587 |
38.7 |
-0.7 |
0.185 |
0 |
0 |
0 |
0.000 |
23 |
31 |
|
D |
4 |
2 |
12108 |
x |
D |
-x+1,y-1/2,-z-2 |
2_643 |
8 |
5 |
12108 |
37.6 |
1.0 |
0.800 |
1 |
0 |
0 |
0.000 |
24 |
32 |
|
[CIT]B:301 |
3 |
1 |
307 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12548 |
23.7 |
0.4 |
0.498 |
0 |
0 |
0 |
0.000 |
25 |
33 |
|
[CIT]A:301 |
4 |
1 |
313 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12587 |
22.2 |
0.6 |
0.569 |
0 |
0 |
0 |
0.000 |
26 |
34 |
|
[CIT]D:301 |
3 |
1 |
310 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12461 |
21.3 |
0.6 |
0.575 |
0 |
0 |
0 |
0.000 |
27 |
35 |
|
D |
2 |
2 |
12108 |
◊ |
A |
x,y,z-1 |
1_554 |
3 |
2 |
12548 |
17.7 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
28 |
36 |
|
A |
3 |
3 |
12548 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
12108 |
4.0 |
0.1 |
0.674 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
A |
2 |
2 |
12548 |
◊ |
C |
-x,y-1/2,-z-2 |
2_543 |
2 |
2 |
12461 |
1.4 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
30 |
38 |
|
[CIT]D:301 |
1 |
1 |
310 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
12548 |
0.1 |
0.0 |
0.329 |
0 |
0 |
0 |
0.000 |
|