| ## |
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 |
|
A |
276 |
73 |
20701 |
◊ |
D |
x-1,y,z |
1_455 |
281 |
74 |
21520 |
2688.7 |
-33.6 |
0.172 |
27 |
13 |
0 |
0.260 |
2 |
|
B |
274 |
75 |
19563 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
268 |
74 |
21421 |
2668.9 |
-37.3 |
0.163 |
32 |
12 |
0 |
0.260 |
| Average: |
2678.8 |
-35.4 |
0.168 |
30 |
13 |
0 |
0.260 |
| 2 |
3 |
|
D |
112 |
33 |
21520 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
107 |
33 |
21421 |
1062.3 |
-10.4 |
0.436 |
13 |
7 |
0 |
0.116 |
4 |
|
B |
111 |
33 |
19563 |
◊ |
A |
x,y,z-1 |
1_554 |
109 |
33 |
20701 |
1052.1 |
-13.8 |
0.341 |
12 |
4 |
0 |
0.116 |
| Average: |
1057.2 |
-12.1 |
0.388 |
13 |
6 |
0 |
0.116 |
| 3 |
5 |
|
[FBP]B:602 |
19 |
1 |
481 |
f |
B |
x,y,z |
1_555 |
47 |
20 |
19563 |
328.7 |
-5.0 |
0.720 |
17 |
0 |
0 |
0.074 |
| 4 |
6 |
|
D |
40 |
12 |
21520 |
◊ |
A |
x,y,z |
1_555 |
36 |
10 |
20701 |
326.1 |
-2.4 |
0.579 |
3 |
1 |
0 |
0.000 |
| 5 |
7 |
|
[FBP]C:602 |
20 |
1 |
477 |
f |
C |
x,y,z |
1_555 |
48 |
20 |
21421 |
322.8 |
-4.4 |
0.763 |
17 |
0 |
0 |
0.144 |
8 |
|
[FBP]D:602 |
20 |
1 |
476 |
f |
D |
x,y,z |
1_555 |
47 |
20 |
21520 |
322.7 |
-5.0 |
0.688 |
17 |
0 |
0 |
0.144 |
9 |
|
[FBP]A:602 |
20 |
1 |
474 |
f |
A |
x,y,z |
1_555 |
50 |
20 |
20701 |
316.4 |
-4.9 |
0.743 |
13 |
0 |
0 |
0.144 |
| Average: |
320.6 |
-4.8 |
0.731 |
16 |
0 |
0 |
0.144 |
| 6 |
10 |
|
C |
32 |
13 |
21421 |
◊ |
B |
x,y,z |
1_555 |
24 |
9 |
19563 |
216.8 |
-0.9 |
0.731 |
0 |
0 |
0 |
0.000 |
| 7 |
11 |
|
D |
20 |
9 |
21520 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
19563 |
198.3 |
1.8 |
0.855 |
1 |
2 |
0 |
0.000 |
| 8 |
12 |
|
A |
26 |
8 |
20701 |
◊ |
C |
x-1,y,z |
1_455 |
14 |
6 |
21421 |
170.6 |
-1.7 |
0.550 |
1 |
1 |
0 |
0.000 |
| 9 |
13 |
|
C |
19 |
6 |
21421 |
◊ |
A |
x,y,z-1 |
1_554 |
15 |
6 |
20701 |
149.4 |
-0.1 |
0.763 |
2 |
0 |
0 |
0.000 |
| 10 |
14 |
|
D |
16 |
6 |
21520 |
◊ |
C |
x,y,z |
1_555 |
23 |
6 |
21421 |
128.7 |
-2.1 |
0.458 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[OXL]C:604 |
6 |
1 |
201 |
f |
C |
x,y,z |
1_555 |
15 |
11 |
21421 |
116.2 |
2.2 |
0.599 |
5 |
0 |
0 |
0.003 |
16 |
|
[OXL]D:604 |
6 |
1 |
200 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
21520 |
104.4 |
1.8 |
0.574 |
5 |
0 |
0 |
0.003 |
| Average: |
110.3 |
2.0 |
0.586 |
5 |
0 |
0 |
0.003 |
| 12 |
17 |
|
[K]B:605 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
12 |
19563 |
115.8 |
-86.8 |
0.000 |
0 |
0 |
0 |
0.551 |
18 |
|
[K]D:605 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
13 |
10 |
21520 |
110.9 |
-93.6 |
0.000 |
0 |
0 |
0 |
0.551 |
| Average: |
113.3 |
-90.2 |
0.000 |
0 |
0 |
0 |
0.551 |
| 13 |
19 |
|
[OXL]A:604 |
6 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
20701 |
111.4 |
1.8 |
0.490 |
5 |
0 |
0 |
0.002 |
| 14 |
20 |
|
[OXL]B:604 |
6 |
1 |
200 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
19563 |
101.5 |
1.6 |
0.508 |
5 |
0 |
0 |
0.004 |
| 15 |
21 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
21421 |
41.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.064 |
22 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
20701 |
40.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.064 |
23 |
|
[MG]D:603 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
21520 |
38.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.064 |
24 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
19563 |
34.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.064 |
| Average: |
38.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.064 |
| 16 |
25 |
|
[OXL]A:604 |
4 |
1 |
199 |
f |
[MG]A:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.021 |
| 17 |
26 |
|
[OXL]C:604 |
4 |
1 |
201 |
f |
[MG]C:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.046 |
27 |
|
[OXL]D:604 |
4 |
1 |
200 |
f |
[MG]D:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.046 |
28 |
|
[OXL]B:604 |
4 |
1 |
200 |
f |
[MG]B:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
31.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.046 |
| 18 |
29 |
|
A |
2 |
1 |
20701 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
21421 |
26.5 |
-0.1 |
0.399 |
0 |
0 |
0 |
0.002 |
30 |
|
B |
1 |
1 |
19563 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
21520 |
18.3 |
-0.6 |
0.124 |
0 |
0 |
0 |
0.002 |
| Average: |
22.4 |
-0.3 |
0.261 |
0 |
0 |
0 |
0.002 |
| 19 |
31 |
|
[K]B:605 |
1 |
1 |
216 |
f |
[OXL]B:604 |
x,y,z |
1_555 |
3 |
1 |
200 |
24.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.067 |
| 20 |
32 |
|
B |
5 |
3 |
19563 |
◊ |
D |
x,y,z-1 |
1_554 |
5 |
3 |
21520 |
23.4 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
| 21 |
33 |
|
D |
1 |
1 |
21520 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
20701 |
20.0 |
0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
| 22 |
34 |
|
[K]D:605 |
1 |
1 |
216 |
f |
[OXL]D:604 |
x,y,z |
1_555 |
3 |
1 |
200 |
18.6 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.056 |
| 23 |
35 |
|
[K]B:605 |
1 |
1 |
216 |
f |
[MG]B:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
17.0 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.063 |
| 24 |
36 |
|
[K]D:605 |
1 |
1 |
216 |
f |
[MG]D:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.035 |
|