## |
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 |
97 |
19 |
4596 |
◊ |
C |
x,y,z |
1_555 |
83 |
20 |
4561 |
894.1 |
-12.7 |
0.697 |
53 |
0 |
0 |
1.000 |
2 |
|
H |
94 |
19 |
4587 |
◊ |
G |
x,y,z |
1_555 |
82 |
20 |
4569 |
887.0 |
-12.9 |
0.682 |
54 |
0 |
0 |
1.000 |
Average: |
890.6 |
-12.8 |
0.690 |
54 |
0 |
0 |
1.000 |
2 |
3 |
|
D |
67 |
12 |
4596 |
◊ |
A |
x,y,z |
1_555 |
66 |
19 |
5631 |
614.2 |
-1.9 |
0.845 |
9 |
0 |
0 |
0.123 |
4 |
|
H |
68 |
12 |
4587 |
◊ |
E |
x,y,z |
1_555 |
64 |
18 |
5364 |
599.9 |
-2.5 |
0.845 |
10 |
0 |
0 |
0.123 |
Average: |
607.1 |
-2.2 |
0.845 |
10 |
0 |
0 |
0.123 |
3 |
5 |
|
G |
67 |
9 |
4569 |
◊ |
E |
x,y,z |
1_555 |
65 |
17 |
5364 |
569.3 |
-9.6 |
0.562 |
12 |
0 |
0 |
1.000 |
6 |
|
C |
60 |
9 |
4561 |
◊ |
A |
x,y,z |
1_555 |
60 |
16 |
5631 |
543.2 |
-8.2 |
0.561 |
11 |
0 |
0 |
1.000 |
Average: |
556.2 |
-8.9 |
0.561 |
12 |
0 |
0 |
1.000 |
4 |
7 |
|
D |
52 |
9 |
4596 |
◊ |
B |
x,y,z |
1_555 |
53 |
17 |
5155 |
497.8 |
-1.6 |
0.739 |
10 |
0 |
0 |
0.136 |
8 |
|
H |
51 |
9 |
4587 |
◊ |
F |
x,y,z |
1_555 |
53 |
16 |
4908 |
450.9 |
-2.8 |
0.720 |
9 |
0 |
0 |
0.136 |
Average: |
474.4 |
-2.2 |
0.729 |
10 |
0 |
0 |
0.136 |
5 |
9 |
|
C |
53 |
7 |
4561 |
◊ |
B |
x,y,z |
1_555 |
46 |
15 |
5155 |
453.2 |
-3.5 |
0.696 |
12 |
0 |
0 |
0.185 |
10 |
|
G |
50 |
7 |
4569 |
◊ |
F |
x,y,z |
1_555 |
37 |
13 |
4908 |
407.6 |
-5.0 |
0.638 |
7 |
0 |
0 |
0.185 |
Average: |
430.4 |
-4.2 |
0.667 |
10 |
0 |
0 |
0.185 |
6 |
11 |
|
A |
27 |
11 |
5631 |
◊ |
B |
x,y-1,z |
1_545 |
47 |
15 |
5155 |
401.3 |
-3.4 |
0.522 |
2 |
0 |
0 |
0.000 |
12 |
|
E |
27 |
10 |
5364 |
◊ |
F |
x,y-1,z |
1_545 |
42 |
12 |
4908 |
381.7 |
-4.4 |
0.395 |
1 |
0 |
0 |
0.000 |
Average: |
391.5 |
-3.9 |
0.459 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
[5IU]H:639 |
20 |
1 |
449 |
cf |
H |
x,y,z |
1_555 |
28 |
2 |
4587 |
224.0 |
2.3 |
0.731 |
0 |
0 |
0 |
0.000 |
14 |
|
[5IU]D:639 |
19 |
1 |
452 |
cf |
D |
x,y,z |
1_555 |
27 |
2 |
4596 |
223.0 |
3.6 |
0.787 |
0 |
0 |
0 |
0.000 |
Average: |
223.5 |
2.9 |
0.759 |
0 |
0 |
0 |
0.000 |
8 |
15 |
|
F |
14 |
3 |
4908 |
◊ |
E |
x,y,z |
1_555 |
17 |
4 |
5364 |
131.0 |
-0.4 |
0.675 |
2 |
2 |
0 |
0.022 |
16 |
|
B |
14 |
3 |
5155 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
5631 |
129.1 |
-0.3 |
0.668 |
2 |
2 |
0 |
0.022 |
Average: |
130.1 |
-0.3 |
0.671 |
2 |
2 |
0 |
0.022 |
9 |
17 |
|
B |
15 |
8 |
5155 |
◊ |
H |
x,y,z-1 |
1_554 |
12 |
2 |
4587 |
109.9 |
-3.3 |
0.386 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
13 |
3 |
4596 |
◊ |
F |
x,y,z |
1_555 |
13 |
8 |
4908 |
109.4 |
-3.4 |
0.383 |
0 |
0 |
0 |
0.000 |
Average: |
109.6 |
-3.3 |
0.385 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
G |
10 |
1 |
4569 |
◊ |
C |
x-1,y+1,z+1 |
1_466 |
14 |
1 |
4561 |
99.5 |
2.9 |
0.856 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
C |
10 |
1 |
4561 |
◊ |
G |
x-1,y+1,z |
1_465 |
14 |
1 |
4569 |
98.7 |
2.5 |
0.831 |
0 |
0 |
0 |
0.000 |
12 |
21 |
|
D |
13 |
1 |
4596 |
◊ |
H |
x-1,y+1,z |
1_465 |
12 |
1 |
4587 |
95.7 |
2.7 |
0.845 |
2 |
0 |
0 |
0.000 |
13 |
22 |
|
H |
13 |
1 |
4587 |
◊ |
D |
x-1,y+1,z+1 |
1_466 |
9 |
1 |
4596 |
89.5 |
2.9 |
0.853 |
1 |
0 |
0 |
0.000 |
14 |
23 |
|
[5IU]H:639 |
10 |
1 |
449 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
4908 |
70.6 |
-0.3 |
0.432 |
0 |
0 |
0 |
0.006 |
24 |
|
[5IU]D:639 |
9 |
1 |
452 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
5155 |
65.4 |
-0.3 |
0.491 |
0 |
0 |
0 |
0.006 |
Average: |
68.0 |
-0.3 |
0.462 |
0 |
0 |
0 |
0.006 |
15 |
25 |
|
[5IU]H:639 |
5 |
1 |
449 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
4569 |
68.2 |
1.5 |
0.637 |
3 |
0 |
0 |
0.000 |
26 |
|
[5IU]D:639 |
6 |
1 |
452 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
4561 |
66.5 |
1.5 |
0.644 |
3 |
0 |
0 |
0.000 |
Average: |
67.4 |
1.5 |
0.641 |
3 |
0 |
0 |
0.000 |
16 |
27 |
|
H |
7 |
1 |
4587 |
◊ |
C |
x-1,y+1,z+1 |
1_466 |
7 |
1 |
4561 |
49.8 |
-1.1 |
0.516 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
D |
5 |
1 |
4596 |
◊ |
G |
x-1,y+1,z |
1_465 |
5 |
1 |
4569 |
39.8 |
-0.9 |
0.488 |
0 |
0 |
0 |
0.000 |
18 |
29 |
|
C |
7 |
2 |
4561 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
4908 |
39.4 |
-1.0 |
0.535 |
1 |
0 |
0 |
0.000 |
30 |
|
B |
2 |
2 |
5155 |
◊ |
G |
x,y,z-1 |
1_554 |
2 |
2 |
4569 |
13.0 |
-0.9 |
0.327 |
0 |
0 |
0 |
0.000 |
Average: |
26.2 |
-0.9 |
0.431 |
1 |
0 |
0 |
0.000 |
19 |
31 |
|
C |
9 |
3 |
4561 |
◊ |
H |
x-1,y+1,z |
1_465 |
6 |
2 |
4587 |
36.8 |
-1.6 |
0.451 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
F |
3 |
2 |
4908 |
◊ |
G |
x-1,y+1,z |
1_465 |
4 |
1 |
4569 |
33.1 |
-0.4 |
0.541 |
1 |
0 |
0 |
0.000 |
33 |
|
B |
1 |
1 |
5155 |
◊ |
C |
x-1,y+1,z |
1_465 |
3 |
1 |
4561 |
17.6 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
Average: |
25.3 |
-0.2 |
0.563 |
1 |
0 |
0 |
0.000 |
21 |
34 |
|
G |
9 |
3 |
4569 |
◊ |
D |
x-1,y+1,z+1 |
1_466 |
5 |
2 |
4596 |
28.6 |
-1.5 |
0.460 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[5IU]H:639 |
4 |
1 |
449 |
◊ |
C |
x-1,y+1,z+1 |
1_466 |
5 |
1 |
4561 |
17.4 |
-0.1 |
0.475 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
A |
1 |
1 |
5631 |
◊ |
[5IU]H:639 |
x,y-1,z-1 |
1_544 |
1 |
1 |
449 |
6.0 |
-0.3 |
0.394 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[5IU]D:639 |
2 |
1 |
452 |
◊ |
G |
x-1,y+1,z |
1_465 |
2 |
1 |
4569 |
3.9 |
-0.0 |
0.395 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
A |
1 |
1 |
5631 |
◊ |
H |
x,y-1,z-1 |
1_544 |
1 |
1 |
4587 |
1.0 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
|