| ## |
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 |
193 |
59 |
11576 |
◊ |
H |
x,y,z |
1_555 |
182 |
56 |
11009 |
1844.4 |
-26.0 |
0.030 |
13 |
1 |
0 |
1.000 |
2 |
|
B |
194 |
58 |
11588 |
◊ |
A |
x,y,z |
1_555 |
186 |
55 |
11022 |
1831.9 |
-26.5 |
0.026 |
14 |
1 |
0 |
1.000 |
| Average: |
1838.2 |
-26.3 |
0.028 |
14 |
1 |
0 |
1.000 |
| 2 |
3 |
|
A |
85 |
25 |
11022 |
◊ |
B |
x-1,y,z |
1_455 |
94 |
27 |
11588 |
772.5 |
0.8 |
0.856 |
10 |
0 |
0 |
0.000 |
4 |
|
L |
94 |
27 |
11576 |
◊ |
H |
x-1,y,z |
1_455 |
82 |
25 |
11009 |
750.7 |
0.9 |
0.862 |
11 |
0 |
0 |
0.000 |
| Average: |
761.6 |
0.9 |
0.859 |
11 |
0 |
0 |
0.000 |
| 3 |
5 |
|
L |
44 |
16 |
11576 |
◊ |
A |
x,y-1,z |
1_545 |
45 |
18 |
11022 |
398.5 |
0.4 |
0.778 |
10 |
0 |
0 |
0.000 |
6 |
|
H |
44 |
17 |
11009 |
◊ |
B |
x,y-1,z-1 |
1_544 |
46 |
16 |
11588 |
398.0 |
0.2 |
0.773 |
6 |
0 |
0 |
0.000 |
| Average: |
398.3 |
0.3 |
0.775 |
8 |
0 |
0 |
0.000 |
| 4 |
7 |
|
L |
42 |
15 |
11576 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
11588 |
369.8 |
0.2 |
0.691 |
6 |
0 |
0 |
0.000 |
8 |
|
L |
41 |
11 |
11576 |
◊ |
B |
x,y,z-1 |
1_554 |
42 |
14 |
11588 |
361.7 |
0.3 |
0.706 |
5 |
0 |
0 |
0.000 |
| Average: |
365.7 |
0.3 |
0.698 |
6 |
0 |
0 |
0.000 |
| 5 |
9 |
|
B |
34 |
9 |
11588 |
◊ |
L |
x-1,y,z |
1_455 |
38 |
13 |
11576 |
335.9 |
-2.3 |
0.445 |
2 |
0 |
0 |
0.000 |
10 |
|
B |
36 |
13 |
11588 |
◊ |
L |
x-1,y,z+1 |
1_456 |
33 |
10 |
11576 |
329.7 |
-3.1 |
0.334 |
2 |
0 |
0 |
0.000 |
| Average: |
332.8 |
-2.7 |
0.389 |
2 |
0 |
0 |
0.000 |
| 6 |
11 |
|
C |
28 |
8 |
1113 |
◊ |
A |
x,y,z |
1_555 |
38 |
10 |
11022 |
299.8 |
-3.3 |
0.554 |
7 |
0 |
0 |
0.154 |
12 |
|
P |
28 |
8 |
1124 |
◊ |
H |
x,y,z |
1_555 |
39 |
10 |
11009 |
299.8 |
-3.3 |
0.573 |
7 |
0 |
0 |
0.154 |
| Average: |
299.8 |
-3.3 |
0.564 |
7 |
0 |
0 |
0.154 |
| 7 |
13 |
|
C |
27 |
6 |
1113 |
◊ |
B |
x,y,z |
1_555 |
38 |
13 |
11588 |
297.2 |
-0.8 |
0.764 |
6 |
3 |
0 |
0.095 |
14 |
|
P |
27 |
6 |
1124 |
◊ |
L |
x,y,z |
1_555 |
37 |
13 |
11576 |
297.0 |
-0.8 |
0.758 |
6 |
3 |
0 |
0.095 |
| Average: |
297.1 |
-0.8 |
0.761 |
6 |
3 |
0 |
0.095 |
| 8 |
15 |
|
B |
33 |
11 |
11588 |
◊ |
A |
x,y-1,z |
1_545 |
28 |
9 |
11022 |
288.0 |
0.6 |
0.773 |
8 |
0 |
0 |
0.000 |
16 |
|
H |
29 |
9 |
11009 |
◊ |
L |
x,y-1,z |
1_545 |
34 |
12 |
11576 |
287.0 |
0.7 |
0.784 |
7 |
0 |
0 |
0.000 |
| Average: |
287.5 |
0.6 |
0.779 |
8 |
0 |
0 |
0.000 |
| 9 |
17 |
|
A |
18 |
9 |
11022 |
x |
A |
x-1,y,z |
1_455 |
17 |
7 |
11022 |
147.8 |
-1.1 |
0.512 |
0 |
1 |
0 |
0.000 |
18 |
|
H |
16 |
7 |
11009 |
x |
H |
x-1,y,z |
1_455 |
17 |
8 |
11009 |
145.2 |
-1.1 |
0.508 |
0 |
1 |
0 |
0.000 |
| Average: |
146.5 |
-1.1 |
0.510 |
0 |
1 |
0 |
0.000 |
| 10 |
19 |
|
H |
16 |
8 |
11009 |
◊ |
B |
x,y,z-1 |
1_554 |
11 |
4 |
11588 |
120.5 |
-1.1 |
0.478 |
0 |
1 |
0 |
0.000 |
20 |
|
L |
12 |
4 |
11576 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
11022 |
120.4 |
-1.2 |
0.443 |
0 |
1 |
0 |
0.000 |
| Average: |
120.4 |
-1.1 |
0.460 |
0 |
1 |
0 |
0.000 |
| 11 |
21 |
|
P |
12 |
3 |
1124 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
6 |
11022 |
112.3 |
0.6 |
0.809 |
1 |
0 |
0 |
0.000 |
22 |
|
H |
14 |
5 |
11009 |
◊ |
C |
x,y-1,z-1 |
1_544 |
12 |
3 |
1113 |
109.0 |
1.4 |
0.853 |
1 |
0 |
0 |
0.000 |
| Average: |
110.6 |
1.0 |
0.831 |
1 |
0 |
0 |
0.000 |
| 12 |
23 |
|
L |
14 |
9 |
11576 |
x |
L |
x-1,y,z |
1_455 |
9 |
5 |
11576 |
103.3 |
2.6 |
0.925 |
1 |
0 |
0 |
0.000 |
24 |
|
B |
8 |
5 |
11588 |
x |
B |
x-1,y,z |
1_455 |
11 |
6 |
11588 |
83.9 |
1.0 |
0.802 |
0 |
0 |
0 |
0.000 |
| Average: |
93.6 |
1.8 |
0.863 |
1 |
0 |
0 |
0.000 |
| 13 |
25 |
|
A |
9 |
4 |
11022 |
◊ |
L |
x-1,y,z |
1_455 |
10 |
5 |
11576 |
101.4 |
1.5 |
0.870 |
1 |
0 |
0 |
0.000 |
26 |
|
B |
9 |
5 |
11588 |
◊ |
H |
x-1,y,z+1 |
1_456 |
8 |
3 |
11009 |
96.5 |
1.3 |
0.823 |
0 |
0 |
0 |
0.000 |
| Average: |
99.0 |
1.4 |
0.846 |
1 |
0 |
0 |
0.000 |
| 14 |
27 |
|
A |
6 |
2 |
11022 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
2 |
11009 |
63.8 |
-0.6 |
0.451 |
0 |
0 |
0 |
0.000 |
28 |
|
A |
8 |
2 |
11022 |
◊ |
H |
x-1,y,z+1 |
1_456 |
6 |
2 |
11009 |
42.4 |
-0.8 |
0.413 |
0 |
0 |
0 |
0.000 |
| Average: |
53.1 |
-0.7 |
0.432 |
0 |
0 |
0 |
0.000 |
| 15 |
29 |
|
[NH2]C:668 |
1 |
1 |
117 |
cf |
C |
x,y,z |
1_555 |
8 |
5 |
1113 |
56.8 |
0.8 |
0.842 |
0 |
0 |
0 |
0.000 |
30 |
|
[NH2]P:668 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
9 |
5 |
1124 |
56.5 |
0.7 |
0.845 |
0 |
0 |
0 |
0.000 |
| Average: |
56.6 |
0.7 |
0.844 |
0 |
0 |
0 |
0.000 |
| 16 |
31 |
|
A |
1 |
1 |
11022 |
x |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
11022 |
11.8 |
0.3 |
0.828 |
0 |
0 |
0 |
0.000 |
32 |
|
H |
1 |
1 |
11009 |
x |
H |
x-1,y-1,z |
1_445 |
1 |
1 |
11009 |
4.3 |
-0.0 |
0.527 |
0 |
0 |
0 |
0.000 |
| Average: |
8.0 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
| 17 |
33 |
|
[NH2]P:668 |
1 |
1 |
117 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
11009 |
5.9 |
-0.0 |
0.745 |
0 |
0 |
0 |
0.000 |
34 |
|
[NH2]C:668 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11022 |
4.3 |
-0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
| Average: |
5.1 |
-0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
| 18 |
35 |
|
P |
1 |
1 |
1124 |
◊ |
H |
x-1,y,z |
1_455 |
1 |
1 |
11009 |
3.9 |
0.2 |
0.768 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
1 |
1 |
11022 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
1113 |
3.6 |
0.2 |
0.761 |
0 |
0 |
0 |
0.000 |
| Average: |
3.7 |
0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
|