## |
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 |
216 |
60 |
12833 |
◊ |
G |
x,y,z |
1_555 |
219 |
61 |
11743 |
1990.0 |
-23.9 |
0.136 |
25 |
7 |
1 |
0.825 |
2 |
|
E |
204 |
57 |
12269 |
◊ |
D |
x,y,z |
1_555 |
211 |
57 |
11219 |
1879.0 |
-26.8 |
0.153 |
27 |
6 |
1 |
0.825 |
Average: |
1934.5 |
-25.4 |
0.144 |
26 |
7 |
1 |
0.825 |
2 |
3 |
|
F |
133 |
31 |
6416 |
◊ |
C |
x,y,z |
1_555 |
135 |
41 |
14991 |
1235.4 |
-9.1 |
0.476 |
14 |
4 |
0 |
1.000 |
4 |
|
B |
125 |
31 |
6223 |
◊ |
A |
x,y,z |
1_555 |
139 |
42 |
14647 |
1204.7 |
-12.5 |
0.251 |
14 |
3 |
0 |
1.000 |
Average: |
1220.1 |
-10.8 |
0.364 |
14 |
4 |
0 |
1.000 |
3 |
5 |
|
H |
92 |
30 |
12833 |
◊ |
C |
x,y,z |
1_555 |
83 |
29 |
14991 |
781.1 |
-9.3 |
0.208 |
6 |
1 |
0 |
0.154 |
4 |
6 |
|
D |
62 |
16 |
11219 |
◊ |
C |
x,y,z |
1_555 |
71 |
17 |
14991 |
600.0 |
-2.6 |
0.641 |
8 |
2 |
0 |
0.074 |
7 |
|
G |
61 |
17 |
11743 |
◊ |
A |
x,y,z |
1_555 |
74 |
18 |
14647 |
590.0 |
-2.3 |
0.619 |
10 |
1 |
0 |
0.074 |
Average: |
595.0 |
-2.5 |
0.630 |
9 |
2 |
0 |
0.074 |
5 |
8 |
|
E |
64 |
18 |
12269 |
◊ |
C |
x,y,z |
1_555 |
66 |
19 |
14991 |
580.0 |
-2.4 |
0.651 |
11 |
0 |
0 |
0.086 |
9 |
|
H |
63 |
18 |
12833 |
◊ |
A |
x,y,z |
1_555 |
67 |
18 |
14647 |
567.6 |
-4.2 |
0.461 |
9 |
0 |
0 |
0.086 |
Average: |
573.8 |
-3.3 |
0.556 |
10 |
0 |
0 |
0.086 |
6 |
10 |
|
C |
53 |
14 |
14991 |
◊ |
A |
-x+1/2,y-1/2,-z+3 |
4_548 |
63 |
14 |
14647 |
530.2 |
-5.3 |
0.177 |
2 |
1 |
0 |
0.060 |
7 |
11 |
|
D |
60 |
17 |
11219 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
45 |
13 |
14647 |
481.1 |
-6.4 |
0.145 |
8 |
0 |
0 |
0.000 |
12 |
|
G |
62 |
18 |
11743 |
◊ |
C |
-x+1/2,y-1/2,-z+3 |
4_548 |
45 |
14 |
14991 |
476.8 |
-6.5 |
0.131 |
7 |
0 |
0 |
0.000 |
Average: |
479.0 |
-6.4 |
0.138 |
8 |
0 |
0 |
0.000 |
8 |
13 |
|
C |
45 |
12 |
14991 |
◊ |
E |
-x+1/2,y-1/2,-z+2 |
4_547 |
43 |
14 |
12269 |
405.4 |
1.4 |
0.815 |
6 |
7 |
0 |
0.000 |
9 |
14 |
|
F |
35 |
14 |
6416 |
◊ |
A |
-x+1/2,y-1/2,-z+3 |
4_548 |
35 |
11 |
14647 |
316.4 |
-1.5 |
0.561 |
2 |
0 |
0 |
0.022 |
10 |
15 |
|
[OZD]C:801 |
16 |
1 |
412 |
cf |
C |
x,y,z |
1_555 |
54 |
17 |
14991 |
284.7 |
5.3 |
0.499 |
2 |
0 |
0 |
0.000 |
16 |
|
[OZD]A:302 |
16 |
1 |
409 |
cf |
A |
x,y,z |
1_555 |
57 |
18 |
14647 |
281.4 |
5.1 |
0.496 |
2 |
0 |
0 |
0.000 |
Average: |
283.1 |
5.2 |
0.498 |
2 |
0 |
0 |
0.000 |
11 |
17 |
|
G |
26 |
9 |
11743 |
x |
G |
-x+1/2,y-1/2,-z+3 |
4_548 |
37 |
10 |
11743 |
271.8 |
0.5 |
0.759 |
4 |
0 |
0 |
0.000 |
12 |
18 |
|
H |
23 |
8 |
12833 |
◊ |
D |
x,y,z |
1_555 |
25 |
9 |
11219 |
217.2 |
-2.0 |
0.493 |
1 |
0 |
0 |
0.014 |
13 |
19 |
|
E |
28 |
10 |
12269 |
◊ |
C |
-x+1/2,y-1/2,-z+2 |
4_547 |
22 |
9 |
14991 |
200.7 |
-2.2 |
0.436 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
G |
21 |
5 |
11743 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
14991 |
196.1 |
-2.2 |
0.352 |
1 |
0 |
0 |
0.033 |
15 |
21 |
|
E |
21 |
8 |
12269 |
◊ |
A |
x-1/2,y-1/2,z-1 |
3_444 |
21 |
5 |
14647 |
169.0 |
0.5 |
0.753 |
7 |
0 |
0 |
0.000 |
16 |
22 |
|
G |
18 |
6 |
11743 |
◊ |
H |
-x+1/2,y-1/2,-z+3 |
4_548 |
12 |
4 |
12833 |
147.3 |
-2.1 |
0.289 |
0 |
1 |
0 |
0.000 |
17 |
23 |
|
H |
15 |
5 |
12833 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
19 |
6 |
14647 |
145.1 |
-2.0 |
0.338 |
1 |
0 |
0 |
0.000 |
18 |
24 |
|
[GOL]F:101 |
6 |
1 |
218 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
6416 |
98.0 |
-0.4 |
0.529 |
4 |
0 |
0 |
0.160 |
19 |
25 |
|
D |
12 |
4 |
11219 |
◊ |
D |
-x+1,y,-z+2 |
2_657 |
11 |
4 |
11219 |
88.1 |
-1.5 |
0.417 |
0 |
0 |
0 |
0.000 |
20 |
26 |
|
[GOL]F:102 |
5 |
1 |
215 |
◊ |
F |
x,y,z |
1_555 |
15 |
7 |
6416 |
82.9 |
0.6 |
0.760 |
5 |
0 |
0 |
0.015 |
21 |
27 |
|
[GOL]F:102 |
6 |
1 |
215 |
f |
A |
-x+1/2,y-1/2,-z+3 |
4_548 |
14 |
6 |
14647 |
82.5 |
-0.6 |
0.483 |
3 |
0 |
0 |
0.113 |
22 |
28 |
|
C |
9 |
5 |
14991 |
◊ |
D |
-x+1/2,y-1/2,-z+2 |
4_547 |
11 |
3 |
11219 |
79.2 |
-0.5 |
0.555 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
G |
9 |
4 |
11743 |
◊ |
F |
-x+1/2,y-1/2,-z+3 |
4_548 |
10 |
3 |
6416 |
78.7 |
1.2 |
0.803 |
1 |
0 |
0 |
0.000 |
24 |
30 |
|
E |
8 |
2 |
12269 |
x |
E |
-x+1/2,y-1/2,-z+2 |
4_547 |
6 |
3 |
12269 |
70.0 |
-0.6 |
0.311 |
0 |
0 |
0 |
0.000 |
25 |
31 |
|
[GOL]A:301 |
5 |
1 |
222 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
14647 |
67.7 |
1.2 |
0.768 |
4 |
0 |
0 |
0.003 |
26 |
32 |
|
[NA]H:301 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
12833 |
64.5 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.195 |
27 |
33 |
|
[CL]E:301 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
12269 |
58.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.165 |
28 |
34 |
|
[GOL]F:101 |
3 |
1 |
218 |
◊ |
A |
-x+1/2,y-1/2,-z+3 |
4_548 |
9 |
4 |
14647 |
57.7 |
0.0 |
0.569 |
3 |
0 |
0 |
0.012 |
29 |
35 |
|
[GOL]A:301 |
3 |
1 |
222 |
f |
H |
x,y,z |
1_555 |
9 |
3 |
12833 |
57.6 |
0.7 |
0.753 |
3 |
0 |
0 |
0.013 |
30 |
36 |
|
H |
6 |
2 |
12833 |
x |
H |
-x+1/2,y-1/2,-z+3 |
4_548 |
2 |
1 |
12833 |
40.8 |
-0.5 |
0.257 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
C |
5 |
1 |
14991 |
◊ |
[CL]E:301 |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
125 |
33.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[OZD]A:302 |
2 |
1 |
409 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11743 |
31.6 |
0.6 |
0.541 |
1 |
0 |
0 |
0.000 |
39 |
|
[OZD]C:801 |
2 |
1 |
412 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11219 |
27.8 |
0.6 |
0.498 |
1 |
0 |
0 |
0.000 |
Average: |
29.7 |
0.6 |
0.520 |
1 |
0 |
0 |
0.000 |
33 |
40 |
|
F |
2 |
1 |
6416 |
◊ |
B |
-x+1/2,y-1/2,-z+3 |
4_548 |
1 |
1 |
6223 |
26.3 |
0.5 |
0.290 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
[GOL]F:102 |
1 |
1 |
215 |
◊ |
[GOL]F:101 |
x,y,z |
1_555 |
3 |
1 |
218 |
15.7 |
-0.0 |
0.479 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
D |
2 |
1 |
11219 |
◊ |
B |
-x+1,y,-z+3 |
2_658 |
3 |
1 |
6223 |
13.6 |
0.5 |
0.533 |
0 |
0 |
0 |
0.000 |
36 |
43 |
|
H |
2 |
1 |
12833 |
◊ |
C |
-x+1/2,y-1/2,-z+3 |
4_548 |
1 |
1 |
14991 |
10.9 |
-0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
37 |
44 |
|
E |
1 |
1 |
12269 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
1 |
1 |
14647 |
8.2 |
-0.0 |
0.443 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[CL]E:301 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11219 |
6.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
39 |
46 |
|
[GOL]A:301 |
2 |
1 |
222 |
◊ |
A |
-x+1,y,-z+3 |
2_658 |
1 |
1 |
14647 |
5.5 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
40 |
47 |
|
H |
2 |
1 |
12833 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6416 |
2.1 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
[OZD]A:302 |
1 |
1 |
409 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12833 |
1.8 |
0.1 |
0.362 |
0 |
0 |
0 |
0.000 |
49 |
|
[OZD]C:801 |
1 |
1 |
412 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12269 |
1.3 |
0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
Average: |
1.5 |
0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
|