## |
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 |
|
H |
182 |
48 |
14037 |
◊ |
E |
x,y,z |
1_555 |
191 |
49 |
14382 |
1759.2 |
-28.6 |
0.074 |
18 |
0 |
0 |
0.504 |
2 |
|
C |
186 |
48 |
14189 |
◊ |
B |
x,y,z |
1_555 |
186 |
48 |
14238 |
1749.9 |
-27.6 |
0.096 |
19 |
0 |
0 |
0.504 |
3 |
|
G |
189 |
48 |
14243 |
◊ |
F |
x,y,z |
1_555 |
190 |
48 |
14196 |
1746.3 |
-28.2 |
0.080 |
17 |
0 |
0 |
0.504 |
4 |
|
D |
187 |
48 |
14435 |
◊ |
A |
x,y,z |
1_555 |
185 |
49 |
14077 |
1743.3 |
-28.1 |
0.080 |
17 |
0 |
0 |
0.504 |
Average: |
1749.7 |
-28.1 |
0.083 |
18 |
0 |
0 |
0.504 |
2 |
5 |
|
H |
184 |
48 |
14037 |
◊ |
G |
x,y,z |
1_555 |
178 |
45 |
14243 |
1749.2 |
-15.6 |
0.520 |
35 |
17 |
0 |
0.276 |
6 |
|
B |
182 |
47 |
14238 |
◊ |
A |
x,y,z |
1_555 |
181 |
46 |
14077 |
1740.0 |
-17.1 |
0.490 |
34 |
16 |
0 |
0.276 |
7 |
|
F |
178 |
45 |
14196 |
◊ |
E |
x,y,z |
1_555 |
181 |
48 |
14382 |
1737.5 |
-16.4 |
0.470 |
33 |
16 |
0 |
0.276 |
8 |
|
D |
178 |
46 |
14435 |
◊ |
C |
x,y,z |
1_555 |
180 |
47 |
14189 |
1725.5 |
-18.6 |
0.331 |
32 |
16 |
0 |
0.276 |
Average: |
1738.1 |
-16.9 |
0.453 |
34 |
16 |
0 |
0.276 |
3 |
9 |
|
G |
90 |
23 |
14243 |
◊ |
E |
x,y,z |
1_555 |
83 |
23 |
14382 |
828.9 |
-15.3 |
0.093 |
5 |
0 |
0 |
0.150 |
10 |
|
C |
89 |
22 |
14189 |
◊ |
A |
x,y,z |
1_555 |
85 |
21 |
14077 |
816.1 |
-16.6 |
0.059 |
5 |
0 |
0 |
0.150 |
11 |
|
D |
88 |
22 |
14435 |
◊ |
B |
x,y,z |
1_555 |
86 |
22 |
14238 |
806.1 |
-16.5 |
0.055 |
6 |
0 |
0 |
0.150 |
12 |
|
H |
85 |
22 |
14037 |
◊ |
F |
x,y,z |
1_555 |
84 |
22 |
14196 |
794.4 |
-15.9 |
0.052 |
5 |
0 |
0 |
0.150 |
Average: |
811.4 |
-16.1 |
0.064 |
5 |
0 |
0 |
0.150 |
4 |
13 |
|
G |
71 |
25 |
14243 |
◊ |
B |
x,y,z |
1_555 |
77 |
24 |
14238 |
708.0 |
6.2 |
0.983 |
17 |
12 |
0 |
0.024 |
14 |
|
E |
69 |
25 |
14382 |
◊ |
D |
x-1,y,z |
1_455 |
66 |
23 |
14435 |
685.8 |
3.7 |
0.949 |
13 |
10 |
0 |
0.024 |
Average: |
696.9 |
4.9 |
0.966 |
15 |
11 |
0 |
0.024 |
5 |
15 |
|
[NAI]C:301 |
43 |
1 |
813 |
f |
C |
x,y,z |
1_555 |
99 |
36 |
14189 |
588.7 |
-7.5 |
0.596 |
11 |
0 |
0 |
0.360 |
16 |
|
[NAI]F:301 |
43 |
1 |
811 |
f |
F |
x,y,z |
1_555 |
94 |
35 |
14196 |
588.0 |
-7.9 |
0.546 |
11 |
0 |
0 |
0.360 |
17 |
|
[NAI]H:301 |
43 |
1 |
810 |
f |
H |
x,y,z |
1_555 |
97 |
35 |
14037 |
587.4 |
-8.0 |
0.556 |
11 |
0 |
0 |
0.360 |
18 |
|
[NAI]D:301 |
43 |
1 |
810 |
f |
D |
x,y,z |
1_555 |
96 |
36 |
14435 |
587.3 |
-8.1 |
0.561 |
12 |
0 |
0 |
0.360 |
19 |
|
[NAI]E:301 |
44 |
1 |
814 |
f |
E |
x,y,z |
1_555 |
93 |
35 |
14382 |
586.3 |
-7.4 |
0.607 |
11 |
0 |
0 |
0.360 |
20 |
|
[NAI]A:301 |
43 |
1 |
812 |
f |
A |
x,y,z |
1_555 |
92 |
35 |
14077 |
585.3 |
-7.5 |
0.593 |
11 |
0 |
0 |
0.360 |
21 |
|
[NAI]B:301 |
44 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
94 |
35 |
14238 |
585.2 |
-7.4 |
0.603 |
12 |
0 |
0 |
0.360 |
22 |
|
[NAI]G:301 |
43 |
1 |
808 |
f |
G |
x,y,z |
1_555 |
94 |
35 |
14243 |
584.1 |
-8.0 |
0.584 |
12 |
0 |
0 |
0.360 |
Average: |
586.5 |
-7.7 |
0.581 |
11 |
0 |
0 |
0.360 |
6 |
23 |
|
[0WE]G:302 |
27 |
1 |
621 |
f |
G |
x,y,z |
1_555 |
58 |
22 |
14243 |
416.2 |
-4.2 |
0.469 |
3 |
0 |
0 |
0.153 |
24 |
|
[0WE]A:302 |
27 |
1 |
619 |
f |
A |
x,y,z |
1_555 |
62 |
22 |
14077 |
415.1 |
-4.4 |
0.467 |
3 |
0 |
0 |
0.153 |
25 |
|
[0WE]F:302 |
27 |
1 |
620 |
f |
F |
x,y,z |
1_555 |
58 |
21 |
14196 |
413.9 |
-4.2 |
0.443 |
3 |
0 |
0 |
0.153 |
26 |
|
[0WE]D:302 |
27 |
1 |
620 |
f |
D |
x,y,z |
1_555 |
60 |
22 |
14435 |
412.1 |
-3.9 |
0.467 |
3 |
0 |
0 |
0.153 |
27 |
|
[0WE]H:302 |
27 |
1 |
618 |
f |
H |
x,y,z |
1_555 |
59 |
22 |
14037 |
412.0 |
-4.1 |
0.447 |
3 |
0 |
0 |
0.153 |
28 |
|
[0WE]C:302 |
27 |
1 |
616 |
f |
C |
x,y,z |
1_555 |
58 |
21 |
14189 |
411.2 |
-4.2 |
0.438 |
3 |
0 |
0 |
0.153 |
29 |
|
[0WE]B:302 |
27 |
1 |
618 |
f |
B |
x,y,z |
1_555 |
55 |
21 |
14238 |
408.6 |
-4.5 |
0.412 |
2 |
0 |
0 |
0.153 |
30 |
|
[0WE]E:302 |
27 |
1 |
610 |
f |
E |
x,y,z |
1_555 |
59 |
22 |
14382 |
400.9 |
-4.2 |
0.477 |
3 |
0 |
0 |
0.153 |
Average: |
411.2 |
-4.2 |
0.452 |
3 |
0 |
0 |
0.153 |
7 |
31 |
|
C |
38 |
13 |
14189 |
◊ |
F |
-y+2,x,z-1/4 |
2_754 |
38 |
9 |
14196 |
361.2 |
3.1 |
0.944 |
5 |
5 |
0 |
0.000 |
32 |
|
A |
41 |
10 |
14077 |
◊ |
H |
-y+1,x-1,z-1/4 |
2_644 |
36 |
13 |
14037 |
325.6 |
1.4 |
0.902 |
6 |
6 |
0 |
0.000 |
Average: |
343.4 |
2.3 |
0.923 |
6 |
6 |
0 |
0.000 |
8 |
33 |
|
F |
34 |
12 |
14196 |
◊ |
D |
x-1,y+1,z |
1_465 |
30 |
10 |
14435 |
306.3 |
-1.8 |
0.616 |
2 |
0 |
0 |
0.000 |
34 |
|
A |
34 |
12 |
14077 |
◊ |
G |
x,y-1,z |
1_545 |
28 |
8 |
14243 |
300.9 |
-2.1 |
0.608 |
2 |
0 |
0 |
0.000 |
Average: |
303.6 |
-1.9 |
0.612 |
2 |
0 |
0 |
0.000 |
9 |
35 |
|
C |
29 |
7 |
14189 |
◊ |
H |
-y+2,x-1,z-1/4 |
2_744 |
28 |
8 |
14037 |
275.3 |
-0.6 |
0.742 |
2 |
0 |
0 |
0.000 |
10 |
36 |
|
C |
23 |
9 |
14189 |
◊ |
E |
-y+2,x,z-1/4 |
2_754 |
21 |
8 |
14382 |
173.8 |
-0.8 |
0.642 |
1 |
0 |
0 |
0.000 |
37 |
|
B |
21 |
7 |
14238 |
◊ |
H |
-y+1,x-1,z-1/4 |
2_644 |
23 |
9 |
14037 |
169.3 |
0.0 |
0.725 |
1 |
0 |
0 |
0.000 |
Average: |
171.6 |
-0.4 |
0.683 |
1 |
0 |
0 |
0.000 |
11 |
38 |
|
B |
20 |
7 |
14238 |
◊ |
E |
-y+1,x,z-1/4 |
2_654 |
16 |
7 |
14382 |
145.7 |
0.1 |
0.758 |
3 |
0 |
0 |
0.000 |
12 |
39 |
|
[0WE]B:302 |
8 |
1 |
618 |
f |
[NAI]B:301 |
x,y,z |
1_555 |
12 |
1 |
814 |
84.1 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
40 |
|
[0WE]E:302 |
8 |
1 |
610 |
f |
[NAI]E:301 |
x,y,z |
1_555 |
11 |
1 |
814 |
83.5 |
0.1 |
0.630 |
0 |
0 |
0 |
0.000 |
41 |
|
[0WE]C:302 |
8 |
1 |
616 |
f |
[NAI]C:301 |
x,y,z |
1_555 |
10 |
1 |
813 |
83.4 |
0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
42 |
|
[0WE]H:302 |
8 |
1 |
618 |
f |
[NAI]H:301 |
x,y,z |
1_555 |
10 |
1 |
810 |
83.3 |
0.1 |
0.620 |
0 |
0 |
0 |
0.000 |
43 |
|
[0WE]D:302 |
8 |
1 |
620 |
f |
[NAI]D:301 |
x,y,z |
1_555 |
11 |
1 |
810 |
83.3 |
0.2 |
0.648 |
0 |
0 |
0 |
0.000 |
44 |
|
[0WE]F:302 |
8 |
1 |
620 |
f |
[NAI]F:301 |
x,y,z |
1_555 |
11 |
1 |
811 |
83.2 |
0.1 |
0.638 |
0 |
0 |
0 |
0.000 |
45 |
|
[0WE]A:302 |
8 |
1 |
619 |
f |
[NAI]A:301 |
x,y,z |
1_555 |
11 |
1 |
812 |
83.2 |
0.2 |
0.640 |
0 |
0 |
0 |
0.000 |
46 |
|
[0WE]G:302 |
8 |
1 |
621 |
f |
[NAI]G:301 |
x,y,z |
1_555 |
12 |
1 |
808 |
83.1 |
0.2 |
0.667 |
0 |
0 |
0 |
0.000 |
Average: |
83.4 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
13 |
47 |
|
D |
7 |
1 |
14435 |
◊ |
H |
-y+2,x-1,z-1/4 |
2_744 |
5 |
4 |
14037 |
61.0 |
0.1 |
0.714 |
1 |
1 |
0 |
0.000 |
48 |
|
C |
4 |
2 |
14189 |
◊ |
G |
-y+2,x-1,z-1/4 |
2_744 |
5 |
1 |
14243 |
54.0 |
-0.5 |
0.467 |
0 |
0 |
0 |
0.000 |
Average: |
57.5 |
-0.2 |
0.590 |
1 |
1 |
0 |
0.000 |
14 |
49 |
|
B |
6 |
2 |
14238 |
◊ |
D |
x-1,y,z |
1_455 |
5 |
1 |
14435 |
40.1 |
-0.3 |
0.597 |
0 |
0 |
0 |
0.000 |
50 |
|
E |
5 |
1 |
14382 |
◊ |
G |
x-1,y,z |
1_455 |
5 |
1 |
14243 |
36.5 |
-0.4 |
0.541 |
0 |
0 |
0 |
0.000 |
Average: |
38.3 |
-0.3 |
0.569 |
0 |
0 |
0 |
0.000 |
15 |
51 |
|
[0WE]C:302 |
2 |
1 |
616 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14077 |
10.8 |
-0.3 |
0.322 |
0 |
0 |
0 |
0.004 |
52 |
|
[0WE]H:302 |
2 |
1 |
618 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
14196 |
9.9 |
-0.3 |
0.341 |
0 |
0 |
0 |
0.004 |
53 |
|
[0WE]E:302 |
2 |
1 |
610 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
14243 |
9.2 |
-0.3 |
0.349 |
0 |
0 |
0 |
0.004 |
54 |
|
[0WE]B:302 |
2 |
1 |
618 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14435 |
8.0 |
-0.3 |
0.372 |
0 |
0 |
0 |
0.004 |
55 |
|
[0WE]G:302 |
1 |
1 |
621 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
14382 |
4.5 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.004 |
56 |
|
[0WE]F:302 |
1 |
1 |
620 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14037 |
4.3 |
-0.1 |
0.407 |
0 |
0 |
0 |
0.004 |
57 |
|
[0WE]D:302 |
1 |
1 |
620 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14238 |
3.7 |
-0.1 |
0.496 |
0 |
0 |
0 |
0.004 |
58 |
|
[0WE]A:302 |
1 |
1 |
619 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14189 |
3.2 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.004 |
Average: |
6.7 |
-0.2 |
0.391 |
0 |
0 |
0 |
0.004 |
16 |
59 |
|
E |
1 |
1 |
14382 |
◊ |
[0WE]D:302 |
x-1,y,z |
1_455 |
1 |
1 |
620 |
8.2 |
-0.6 |
0.293 |
0 |
0 |
0 |
0.008 |
60 |
|
[0WE]E:302 |
1 |
1 |
610 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
1 |
14435 |
8.1 |
-0.6 |
0.371 |
0 |
0 |
0 |
0.008 |
61 |
|
[0WE]G:302 |
1 |
1 |
621 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
14238 |
7.5 |
-0.5 |
0.294 |
0 |
0 |
0 |
0.008 |
62 |
|
[0WE]B:302 |
2 |
1 |
618 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
14243 |
7.5 |
-0.5 |
0.322 |
0 |
0 |
0 |
0.008 |
Average: |
7.8 |
-0.5 |
0.320 |
0 |
0 |
0 |
0.008 |
17 |
63 |
|
G |
1 |
1 |
14243 |
◊ |
E |
-y+1,x,z-1/4 |
2_654 |
1 |
1 |
14382 |
3.5 |
0.2 |
0.825 |
0 |
0 |
0 |
0.000 |
18 |
64 |
|
C |
1 |
1 |
14189 |
◊ |
A |
-y+1,x-1,z-1/4 |
2_644 |
1 |
1 |
14077 |
0.3 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
|