| ## |
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 |
|
B |
91 |
28 |
22543 |
◊ |
A |
x,y,z |
1_555 |
95 |
26 |
23818 |
842.3 |
-1.1 |
0.887 |
10 |
1 |
0 |
0.000 |
| 2 |
2 |
|
T |
68 |
8 |
3522 |
◊ |
A |
x,y,z |
1_555 |
90 |
32 |
23818 |
727.2 |
-7.2 |
0.624 |
8 |
0 |
0 |
0.346 |
3 |
|
U |
66 |
8 |
3343 |
◊ |
B |
x,y,z |
1_555 |
80 |
28 |
22543 |
677.2 |
-8.1 |
0.635 |
14 |
0 |
0 |
0.346 |
| Average: |
702.2 |
-7.6 |
0.629 |
11 |
0 |
0 |
0.346 |
| 3 |
4 |
|
P |
65 |
9 |
3048 |
◊ |
A |
x,y,z |
1_555 |
69 |
28 |
23818 |
571.9 |
-10.7 |
0.320 |
10 |
0 |
0 |
0.434 |
| 4 |
5 |
|
T |
61 |
12 |
3522 |
◊ |
P |
x,y,z |
1_555 |
49 |
13 |
3048 |
545.6 |
-10.4 |
0.436 |
43 |
0 |
0 |
0.991 |
| 5 |
6 |
|
Q |
66 |
9 |
2887 |
◊ |
B |
x,y,z |
1_555 |
64 |
27 |
22543 |
544.4 |
-12.4 |
0.296 |
12 |
0 |
0 |
0.482 |
| 6 |
7 |
|
U |
60 |
11 |
3343 |
◊ |
Q |
x,y,z |
1_555 |
47 |
12 |
2887 |
524.2 |
-8.5 |
0.499 |
32 |
0 |
0 |
0.990 |
| 7 |
8 |
|
A |
48 |
17 |
23818 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
48 |
17 |
23818 |
496.9 |
-3.7 |
0.500 |
4 |
0 |
0 |
0.000 |
| 8 |
9 |
|
A |
31 |
9 |
23818 |
◊ |
B |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
44 |
13 |
22543 |
320.9 |
-1.8 |
0.520 |
2 |
1 |
0 |
0.000 |
| 9 |
10 |
|
[DTP]B:2 |
28 |
1 |
584 |
f |
B |
x,y,z |
1_555 |
44 |
19 |
22543 |
312.8 |
0.5 |
0.615 |
6 |
0 |
0 |
0.060 |
| 10 |
11 |
|
[DTP]A:1 |
28 |
1 |
568 |
f |
A |
x,y,z |
1_555 |
45 |
19 |
23818 |
291.9 |
1.0 |
0.619 |
7 |
0 |
0 |
0.060 |
| 11 |
12 |
|
[TTD]T:6 |
25 |
1 |
644 |
◊ |
A |
x,y,z |
1_555 |
34 |
13 |
23818 |
282.1 |
-5.2 |
0.366 |
3 |
0 |
0 |
0.181 |
13 |
|
[TTD]U:6 |
26 |
1 |
655 |
◊ |
B |
x,y,z |
1_555 |
35 |
14 |
22543 |
279.0 |
-5.2 |
0.493 |
5 |
0 |
0 |
0.181 |
| Average: |
280.6 |
-5.2 |
0.429 |
4 |
0 |
0 |
0.181 |
| 12 |
14 |
|
B |
20 |
8 |
22543 |
◊ |
A |
x,-y,-z+1 |
4_556 |
19 |
6 |
23818 |
174.6 |
-0.2 |
0.666 |
2 |
0 |
0 |
0.000 |
| 13 |
15 |
|
[TTD]U:6 |
13 |
1 |
655 |
cf |
U |
x,y,z |
1_555 |
23 |
3 |
3343 |
167.8 |
-0.8 |
0.670 |
0 |
0 |
0 |
0.100 |
16 |
|
[TTD]T:6 |
15 |
1 |
644 |
cf |
T |
x,y,z |
1_555 |
19 |
2 |
3522 |
162.0 |
-0.4 |
0.658 |
0 |
0 |
0 |
0.100 |
| Average: |
164.9 |
-0.6 |
0.664 |
0 |
0 |
0 |
0.100 |
| 14 |
17 |
|
T |
14 |
1 |
3522 |
◊ |
P |
-x,y,-z+1/2 |
3_555 |
20 |
2 |
3048 |
126.6 |
0.9 |
0.692 |
0 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[DTP]B:2 |
17 |
1 |
584 |
◊ |
Q |
x,y,z |
1_555 |
16 |
1 |
2887 |
114.6 |
4.0 |
0.681 |
0 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[DTP]A:1 |
17 |
1 |
568 |
◊ |
P |
x,y,z |
1_555 |
16 |
1 |
3048 |
106.9 |
3.5 |
0.671 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
B |
12 |
5 |
22543 |
◊ |
B |
x,-y,-z+1 |
4_556 |
12 |
5 |
22543 |
96.5 |
-0.8 |
0.604 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
U |
10 |
3 |
3343 |
◊ |
B |
x,-y,-z+1 |
4_556 |
8 |
4 |
22543 |
66.6 |
-2.1 |
0.476 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[TTD]U:6 |
11 |
1 |
655 |
◊ |
[DTP]B:2 |
x,y,z |
1_555 |
4 |
1 |
584 |
59.2 |
1.2 |
0.727 |
1 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[TTD]T:6 |
9 |
1 |
644 |
◊ |
P |
x,y,z |
1_555 |
5 |
2 |
3048 |
59.1 |
1.5 |
0.725 |
3 |
0 |
0 |
0.000 |
| 21 |
24 |
|
[TTD]U:6 |
8 |
1 |
655 |
◊ |
Q |
x,y,z |
1_555 |
5 |
2 |
2887 |
58.6 |
1.5 |
0.750 |
2 |
0 |
0 |
0.000 |
| 22 |
25 |
|
[TTD]T:6 |
10 |
1 |
644 |
◊ |
[DTP]A:1 |
x,y,z |
1_555 |
4 |
1 |
568 |
57.2 |
1.4 |
0.715 |
1 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[MG]B:4 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
22543 |
49.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.194 |
27 |
|
[MG]A:3 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
23818 |
45.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.194 |
| Average: |
47.6 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.194 |
| 24 |
28 |
|
P |
6 |
1 |
3048 |
◊ |
P |
-x,y,-z+1/2 |
3_555 |
6 |
1 |
3048 |
39.2 |
-0.3 |
0.496 |
0 |
0 |
0 |
0.000 |
| 25 |
29 |
|
[MG]A:2 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
23818 |
36.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.149 |
30 |
|
[MG]B:1 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
5 |
22543 |
35.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.149 |
| Average: |
35.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.149 |
| 26 |
31 |
|
[MG]B:1 |
1 |
1 |
98 |
f |
[DTP]B:2 |
x,y,z |
1_555 |
4 |
1 |
584 |
34.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.149 |
32 |
|
[MG]A:2 |
1 |
1 |
98 |
f |
[DTP]A:1 |
x,y,z |
1_555 |
5 |
1 |
568 |
33.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.149 |
| Average: |
34.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.149 |
| 27 |
33 |
|
[MG]A:3 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
3048 |
27.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.116 |
| 28 |
34 |
|
[MG]B:4 |
1 |
1 |
98 |
◊ |
Q |
x,y,z |
1_555 |
3 |
1 |
2887 |
24.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.096 |
| 29 |
35 |
|
A |
1 |
1 |
23818 |
◊ |
[TTD]U:6 |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
655 |
8.5 |
-0.0 |
0.414 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
T |
3 |
1 |
3522 |
◊ |
T |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
3522 |
7.2 |
-0.3 |
0.456 |
0 |
0 |
0 |
0.000 |
|