| ## |
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 |
|
L |
175 |
44 |
19312 |
◊ |
K |
x,y,z |
1_555 |
172 |
44 |
19340 |
1602.5 |
-23.8 |
0.286 |
9 |
0 |
0 |
1.000 |
2 |
|
F |
168 |
43 |
19283 |
◊ |
E |
x,y,z |
1_555 |
169 |
44 |
19148 |
1596.6 |
-23.9 |
0.243 |
8 |
0 |
0 |
1.000 |
3 |
|
B |
178 |
44 |
19369 |
◊ |
A |
x,y,z |
1_555 |
171 |
44 |
19269 |
1594.2 |
-22.8 |
0.314 |
9 |
0 |
0 |
1.000 |
4 |
|
P |
169 |
43 |
19365 |
◊ |
O |
x,y,z |
1_555 |
167 |
41 |
19206 |
1580.9 |
-24.3 |
0.229 |
8 |
0 |
0 |
1.000 |
5 |
|
D |
167 |
44 |
19381 |
◊ |
C |
x,y,z |
1_555 |
174 |
44 |
19164 |
1575.5 |
-23.0 |
0.301 |
8 |
0 |
0 |
1.000 |
6 |
|
H |
167 |
44 |
19382 |
◊ |
G |
x,y,z |
1_555 |
174 |
42 |
19293 |
1564.4 |
-22.8 |
0.298 |
9 |
0 |
0 |
1.000 |
7 |
|
J |
179 |
45 |
19262 |
◊ |
I |
x,y,z |
1_555 |
168 |
44 |
19269 |
1564.3 |
-22.2 |
0.337 |
8 |
0 |
0 |
1.000 |
8 |
|
N |
171 |
43 |
19433 |
◊ |
M |
x,y,z |
1_555 |
176 |
44 |
19245 |
1563.5 |
-22.3 |
0.364 |
10 |
0 |
0 |
1.000 |
| Average: |
1580.2 |
-23.1 |
0.297 |
9 |
0 |
0 |
1.000 |
| 2 |
9 |
|
[MAY]P:600 |
24 |
1 |
704 |
cf |
P |
x,y,z |
1_555 |
79 |
32 |
19365 |
515.8 |
0.6 |
0.522 |
3 |
0 |
0 |
0.100 |
10 |
|
[MAY]K:600 |
24 |
1 |
696 |
cf |
K |
x,y,z |
1_555 |
84 |
33 |
19340 |
513.2 |
0.8 |
0.552 |
4 |
0 |
0 |
0.100 |
11 |
|
[MAY]C:600 |
24 |
1 |
696 |
cf |
C |
x,y,z |
1_555 |
81 |
31 |
19164 |
512.3 |
1.3 |
0.565 |
3 |
0 |
0 |
0.100 |
12 |
|
[MAY]L:600 |
24 |
1 |
697 |
cf |
L |
x,y,z |
1_555 |
83 |
32 |
19312 |
511.1 |
1.2 |
0.565 |
3 |
0 |
0 |
0.100 |
13 |
|
[MAY]E:600 |
24 |
1 |
698 |
cf |
E |
x,y,z |
1_555 |
82 |
31 |
19148 |
510.3 |
0.8 |
0.538 |
4 |
0 |
0 |
0.100 |
14 |
|
[MAY]B:600 |
24 |
1 |
695 |
cf |
B |
x,y,z |
1_555 |
79 |
30 |
19369 |
509.1 |
1.3 |
0.555 |
2 |
0 |
0 |
0.100 |
15 |
|
[MAY]D:600 |
24 |
1 |
695 |
cf |
D |
x,y,z |
1_555 |
85 |
32 |
19381 |
508.2 |
0.8 |
0.544 |
2 |
0 |
0 |
0.100 |
16 |
|
[MAY]N:600 |
24 |
1 |
699 |
cf |
N |
x,y,z |
1_555 |
77 |
29 |
19433 |
508.1 |
1.3 |
0.550 |
4 |
0 |
0 |
0.100 |
17 |
|
[MAY]I:600 |
24 |
1 |
696 |
cf |
I |
x,y,z |
1_555 |
78 |
32 |
19269 |
507.6 |
1.3 |
0.539 |
2 |
0 |
0 |
0.100 |
18 |
|
[MAY]F:600 |
24 |
1 |
697 |
cf |
F |
x,y,z |
1_555 |
85 |
33 |
19283 |
507.4 |
1.0 |
0.558 |
3 |
0 |
0 |
0.100 |
19 |
|
[MAY]O:600 |
24 |
1 |
698 |
cf |
O |
x,y,z |
1_555 |
78 |
32 |
19206 |
507.1 |
0.9 |
0.534 |
4 |
0 |
0 |
0.100 |
20 |
|
[MAY]A:600 |
24 |
1 |
695 |
cf |
A |
x,y,z |
1_555 |
79 |
33 |
19269 |
506.2 |
0.9 |
0.523 |
3 |
0 |
0 |
0.100 |
21 |
|
[MAY]H:600 |
24 |
1 |
695 |
cf |
H |
x,y,z |
1_555 |
78 |
31 |
19382 |
506.0 |
0.9 |
0.545 |
3 |
0 |
0 |
0.100 |
22 |
|
[MAY]J:600 |
24 |
1 |
699 |
cf |
J |
x,y,z |
1_555 |
79 |
31 |
19262 |
505.8 |
1.2 |
0.536 |
2 |
0 |
0 |
0.100 |
23 |
|
[MAY]M:600 |
24 |
1 |
694 |
cf |
M |
x,y,z |
1_555 |
76 |
30 |
19245 |
504.0 |
1.0 |
0.533 |
3 |
0 |
0 |
0.100 |
24 |
|
[MAY]G:600 |
24 |
1 |
692 |
cf |
G |
x,y,z |
1_555 |
79 |
32 |
19293 |
503.9 |
1.3 |
0.555 |
4 |
0 |
0 |
0.100 |
| Average: |
508.5 |
1.1 |
0.545 |
3 |
0 |
0 |
0.100 |
| 3 |
25 |
|
O |
49 |
19 |
19206 |
◊ |
F |
x,y,z |
1_555 |
47 |
19 |
19283 |
454.2 |
-7.4 |
0.299 |
1 |
1 |
0 |
0.000 |
26 |
|
J |
45 |
18 |
19262 |
◊ |
C |
x,y,z |
1_555 |
46 |
19 |
19164 |
406.1 |
-7.7 |
0.220 |
1 |
0 |
0 |
0.000 |
27 |
|
K |
33 |
15 |
19340 |
◊ |
B |
x,y,z |
1_555 |
41 |
16 |
19369 |
364.9 |
-6.8 |
0.210 |
1 |
0 |
0 |
0.000 |
| Average: |
408.4 |
-7.3 |
0.243 |
1 |
0 |
0 |
0.000 |
| 4 |
28 |
|
J |
54 |
21 |
19262 |
◊ |
O |
x-1,y,z |
1_455 |
43 |
17 |
19206 |
405.3 |
2.7 |
0.967 |
4 |
0 |
0 |
0.000 |
29 |
|
C |
44 |
16 |
19164 |
◊ |
F |
x-1,y,z |
1_455 |
49 |
20 |
19283 |
401.4 |
2.0 |
0.921 |
4 |
0 |
0 |
0.000 |
| Average: |
403.3 |
2.4 |
0.944 |
4 |
0 |
0 |
0.000 |
| 5 |
30 |
|
N |
31 |
15 |
19433 |
◊ |
G |
x,y,z |
1_555 |
39 |
15 |
19293 |
342.2 |
-5.8 |
0.249 |
0 |
0 |
0 |
0.000 |
| 6 |
31 |
|
E |
37 |
9 |
19148 |
◊ |
D |
x,y,z |
1_555 |
35 |
15 |
19381 |
319.8 |
-4.9 |
0.403 |
0 |
0 |
0 |
0.000 |
32 |
|
H |
24 |
11 |
19382 |
◊ |
A |
x,y,z |
1_555 |
39 |
10 |
19269 |
314.4 |
-4.8 |
0.291 |
0 |
0 |
0 |
0.000 |
33 |
|
P |
33 |
12 |
19365 |
◊ |
I |
x,y,z |
1_555 |
33 |
9 |
19269 |
292.8 |
-5.6 |
0.260 |
1 |
0 |
0 |
0.000 |
| Average: |
309.0 |
-5.1 |
0.318 |
0 |
0 |
0 |
0.000 |
| 7 |
34 |
|
H |
32 |
7 |
19382 |
◊ |
C |
x,y,z-1 |
1_554 |
31 |
8 |
19164 |
278.6 |
1.7 |
0.951 |
3 |
3 |
0 |
0.000 |
35 |
|
G |
33 |
9 |
19293 |
◊ |
D |
x,y,z-1 |
1_554 |
29 |
8 |
19381 |
274.7 |
0.3 |
0.887 |
1 |
2 |
0 |
0.000 |
| Average: |
276.6 |
1.0 |
0.919 |
2 |
3 |
0 |
0.000 |
| 8 |
36 |
|
H |
27 |
7 |
19382 |
◊ |
E |
x,y,z |
1_555 |
26 |
6 |
19148 |
254.0 |
-6.6 |
0.097 |
0 |
0 |
0 |
0.000 |
37 |
|
O |
24 |
7 |
19206 |
◊ |
N |
x,y,z |
1_555 |
24 |
6 |
19433 |
239.3 |
-6.5 |
0.077 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
27 |
6 |
19381 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
19269 |
230.9 |
-6.3 |
0.103 |
0 |
0 |
0 |
0.000 |
39 |
|
C |
25 |
6 |
19164 |
◊ |
B |
x,y,z |
1_555 |
21 |
5 |
19369 |
229.3 |
-6.3 |
0.074 |
0 |
0 |
0 |
0.000 |
40 |
|
G |
24 |
6 |
19293 |
◊ |
F |
x,y,z |
1_555 |
26 |
6 |
19283 |
227.9 |
-6.3 |
0.097 |
0 |
0 |
0 |
0.000 |
41 |
|
K |
27 |
6 |
19340 |
◊ |
J |
x,y,z |
1_555 |
22 |
5 |
19262 |
226.2 |
-6.2 |
0.092 |
0 |
0 |
0 |
0.000 |
42 |
|
L |
25 |
5 |
19312 |
◊ |
I |
x,y,z |
1_555 |
23 |
6 |
19269 |
221.1 |
-5.9 |
0.111 |
0 |
0 |
0 |
0.000 |
| Average: |
232.7 |
-6.3 |
0.093 |
0 |
0 |
0 |
0.000 |
| 9 |
43 |
|
P |
28 |
7 |
19365 |
◊ |
M |
x,y,z |
1_555 |
27 |
9 |
19245 |
236.6 |
-6.1 |
0.146 |
0 |
0 |
0 |
0.000 |
| 10 |
44 |
|
B |
28 |
11 |
19369 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
24 |
9 |
19269 |
224.3 |
-0.6 |
0.699 |
0 |
0 |
0 |
0.000 |
| 11 |
45 |
|
M |
21 |
8 |
19245 |
◊ |
L |
x,y,z |
1_555 |
21 |
7 |
19312 |
187.7 |
-4.6 |
0.172 |
0 |
0 |
0 |
0.000 |
| 12 |
46 |
|
L |
18 |
9 |
19312 |
◊ |
J |
x,y,z-1 |
1_554 |
21 |
6 |
19262 |
176.5 |
-2.4 |
0.378 |
0 |
0 |
0 |
0.000 |
47 |
|
N |
9 |
3 |
19433 |
◊ |
P |
x,y,z-1 |
1_554 |
6 |
4 |
19365 |
60.6 |
-0.1 |
0.622 |
0 |
0 |
0 |
0.000 |
| Average: |
118.5 |
-1.2 |
0.500 |
0 |
0 |
0 |
0.000 |
| 13 |
48 |
|
H |
21 |
7 |
19382 |
◊ |
M |
-x+1,y-1/2,-z |
2_645 |
18 |
5 |
19245 |
163.5 |
0.7 |
0.833 |
0 |
0 |
0 |
0.000 |
| 14 |
49 |
|
A |
21 |
6 |
19269 |
◊ |
L |
-x,y-1/2,-z |
2_545 |
20 |
6 |
19312 |
151.9 |
-0.1 |
0.822 |
2 |
0 |
0 |
0.000 |
| 15 |
50 |
|
D |
14 |
7 |
19381 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
6 |
19245 |
117.2 |
-1.2 |
0.581 |
0 |
0 |
0 |
0.000 |
| 16 |
51 |
|
E |
10 |
5 |
19148 |
◊ |
N |
-x+1,y-1/2,-z |
2_645 |
15 |
6 |
19433 |
111.3 |
0.3 |
0.636 |
0 |
0 |
0 |
0.000 |
| 17 |
52 |
|
G |
14 |
7 |
19293 |
◊ |
M |
-x+1,y-1/2,-z |
2_645 |
9 |
4 |
19245 |
104.9 |
-1.6 |
0.418 |
0 |
0 |
0 |
0.000 |
| 18 |
53 |
|
A |
11 |
4 |
19269 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
13 |
7 |
19269 |
102.7 |
-0.3 |
0.570 |
0 |
0 |
0 |
0.000 |
| 19 |
54 |
|
E |
12 |
5 |
19148 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
19269 |
97.8 |
-0.6 |
0.664 |
1 |
0 |
0 |
0.000 |
| 20 |
55 |
|
B |
6 |
4 |
19369 |
◊ |
G |
x-1,y,z |
1_455 |
8 |
5 |
19293 |
83.3 |
-1.2 |
0.371 |
0 |
0 |
0 |
0.000 |
| 21 |
56 |
|
L |
9 |
5 |
19312 |
◊ |
H |
x,y,z |
1_555 |
9 |
5 |
19382 |
61.8 |
-1.6 |
0.347 |
0 |
0 |
0 |
0.000 |
57 |
|
P |
12 |
7 |
19365 |
◊ |
D |
x,y,z |
1_555 |
14 |
8 |
19381 |
61.3 |
-1.1 |
0.588 |
0 |
0 |
0 |
0.000 |
| Average: |
61.6 |
-1.3 |
0.467 |
0 |
0 |
0 |
0.000 |
| 22 |
58 |
|
H |
9 |
3 |
19382 |
◊ |
F |
x-1,y,z-1 |
1_454 |
6 |
3 |
19283 |
60.0 |
-1.1 |
0.386 |
0 |
0 |
0 |
0.000 |
| 23 |
59 |
|
K |
7 |
3 |
19340 |
◊ |
N |
x-1,y,z |
1_455 |
3 |
2 |
19433 |
33.6 |
-1.0 |
0.291 |
0 |
0 |
0 |
0.000 |
| 24 |
60 |
|
K |
3 |
2 |
19340 |
◊ |
P |
x-1,y,z-1 |
1_454 |
3 |
3 |
19365 |
16.1 |
-0.4 |
0.426 |
0 |
0 |
0 |
0.000 |
| 25 |
61 |
|
J |
1 |
1 |
19262 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
19283 |
11.3 |
-0.4 |
0.190 |
0 |
0 |
0 |
0.000 |
| 26 |
62 |
|
B |
4 |
2 |
19369 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
2 |
2 |
19245 |
10.9 |
-0.2 |
0.497 |
0 |
0 |
0 |
0.000 |
| 27 |
63 |
|
A |
1 |
1 |
19269 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
19206 |
8.0 |
-0.3 |
0.241 |
0 |
0 |
0 |
0.000 |
| 28 |
64 |
|
K |
1 |
1 |
19340 |
◊ |
G |
x-1,y,z |
1_455 |
1 |
1 |
19293 |
4.1 |
-0.1 |
0.332 |
0 |
0 |
0 |
0.000 |
|