| ## |
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 |
147 |
34 |
10570 |
◊ |
A |
x,y,z |
1_555 |
149 |
33 |
10561 |
1432.5 |
-25.3 |
0.005 |
10 |
1 |
0 |
0.337 |
2 |
|
D |
139 |
33 |
10725 |
◊ |
C |
x,y,z |
1_555 |
146 |
34 |
10556 |
1420.1 |
-24.3 |
0.008 |
10 |
1 |
0 |
0.337 |
3 |
|
F |
143 |
34 |
10841 |
◊ |
E |
x,y,z |
1_555 |
147 |
33 |
10891 |
1406.6 |
-25.2 |
0.005 |
8 |
2 |
0 |
0.337 |
| Average: |
1419.8 |
-24.9 |
0.006 |
9 |
1 |
0 |
0.337 |
| 2 |
4 |
|
F |
102 |
34 |
10841 |
◊ |
A |
x,y,z |
1_555 |
101 |
30 |
10561 |
1031.3 |
-1.7 |
0.673 |
17 |
13 |
0 |
0.093 |
5 |
|
E |
96 |
30 |
10891 |
◊ |
D |
x,y,z |
1_555 |
93 |
29 |
10725 |
953.9 |
-0.3 |
0.723 |
18 |
12 |
0 |
0.093 |
6 |
|
C |
95 |
30 |
10556 |
◊ |
B |
x,y,z |
1_555 |
92 |
29 |
10570 |
950.1 |
-0.6 |
0.698 |
16 |
12 |
0 |
0.093 |
| Average: |
978.4 |
-0.9 |
0.698 |
17 |
12 |
0 |
0.093 |
| 3 |
7 |
|
[4TC]F:227 |
51 |
1 |
951 |
f |
F |
x,y,z |
1_555 |
98 |
42 |
10841 |
676.7 |
-3.9 |
0.640 |
28 |
0 |
0 |
0.190 |
| 4 |
8 |
|
E |
64 |
19 |
10891 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
58 |
17 |
10570 |
549.1 |
0.7 |
0.602 |
3 |
2 |
0 |
0.000 |
| 5 |
9 |
|
B |
59 |
17 |
10570 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
62 |
16 |
10561 |
546.2 |
6.5 |
0.952 |
9 |
6 |
0 |
0.000 |
| 6 |
10 |
|
[ACP]D:228 |
30 |
1 |
645 |
f |
D |
x,y,z |
1_555 |
66 |
25 |
10725 |
451.3 |
-2.4 |
0.588 |
12 |
0 |
0 |
0.174 |
11 |
|
[ACP]E:228 |
30 |
1 |
642 |
f |
E |
x,y,z |
1_555 |
65 |
26 |
10891 |
449.0 |
-2.1 |
0.588 |
11 |
0 |
0 |
0.174 |
12 |
|
[ACP]A:228 |
30 |
1 |
645 |
f |
A |
x,y,z |
1_555 |
62 |
25 |
10561 |
442.0 |
-1.4 |
0.641 |
14 |
0 |
0 |
0.174 |
13 |
|
[ACP]B:228 |
30 |
1 |
645 |
f |
B |
x,y,z |
1_555 |
59 |
25 |
10570 |
435.5 |
-1.6 |
0.609 |
16 |
0 |
0 |
0.174 |
14 |
|
[ACP]C:228 |
31 |
1 |
643 |
f |
C |
x,y,z |
1_555 |
60 |
24 |
10556 |
423.4 |
-2.6 |
0.583 |
12 |
0 |
0 |
0.174 |
| Average: |
440.2 |
-2.0 |
0.602 |
13 |
0 |
0 |
0.174 |
| 7 |
15 |
|
F |
42 |
15 |
10841 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
53 |
14 |
10556 |
409.2 |
-2.1 |
0.521 |
3 |
3 |
0 |
0.021 |
| 8 |
16 |
|
A |
29 |
9 |
10561 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
36 |
10 |
10725 |
266.2 |
-1.1 |
0.503 |
0 |
1 |
0 |
0.000 |
| 9 |
17 |
|
[U5P]D:227 |
21 |
1 |
436 |
f |
D |
x,y,z |
1_555 |
38 |
20 |
10725 |
259.0 |
-2.4 |
0.608 |
8 |
0 |
0 |
0.137 |
18 |
|
[U5P]A:227 |
21 |
1 |
432 |
f |
A |
x,y,z |
1_555 |
39 |
21 |
10561 |
256.1 |
-2.6 |
0.626 |
8 |
0 |
0 |
0.137 |
19 |
|
[U5P]E:227 |
21 |
1 |
434 |
f |
E |
x,y,z |
1_555 |
37 |
20 |
10891 |
251.8 |
-2.2 |
0.593 |
8 |
0 |
0 |
0.137 |
20 |
|
[U5P]C:227 |
21 |
1 |
434 |
f |
C |
x,y,z |
1_555 |
36 |
19 |
10556 |
246.7 |
-2.4 |
0.615 |
9 |
0 |
0 |
0.137 |
21 |
|
[U5P]B:227 |
21 |
1 |
430 |
f |
B |
x,y,z |
1_555 |
36 |
19 |
10570 |
244.7 |
-1.9 |
0.601 |
8 |
0 |
0 |
0.137 |
| Average: |
251.7 |
-2.3 |
0.609 |
8 |
0 |
0 |
0.137 |
| 10 |
22 |
|
F |
28 |
11 |
10841 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
10570 |
256.9 |
-0.3 |
0.603 |
3 |
0 |
0 |
0.032 |
23 |
|
C |
30 |
11 |
10556 |
◊ |
A |
x,y,z |
1_555 |
33 |
12 |
10561 |
253.2 |
-0.2 |
0.629 |
3 |
0 |
0 |
0.032 |
24 |
|
E |
30 |
11 |
10891 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
10561 |
247.1 |
-0.3 |
0.598 |
3 |
0 |
0 |
0.032 |
25 |
|
F |
32 |
11 |
10841 |
◊ |
D |
x,y,z |
1_555 |
27 |
10 |
10725 |
237.5 |
-0.4 |
0.610 |
3 |
0 |
0 |
0.032 |
26 |
|
E |
29 |
10 |
10891 |
◊ |
C |
x,y,z |
1_555 |
31 |
11 |
10556 |
236.6 |
-0.6 |
0.581 |
3 |
0 |
0 |
0.032 |
27 |
|
D |
32 |
11 |
10725 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
10570 |
230.9 |
-0.7 |
0.574 |
3 |
0 |
0 |
0.032 |
| Average: |
243.7 |
-0.4 |
0.599 |
3 |
0 |
0 |
0.032 |
| 11 |
28 |
|
F |
26 |
9 |
10841 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
19 |
7 |
10570 |
230.7 |
-0.7 |
0.537 |
2 |
1 |
0 |
0.000 |
29 |
|
A |
17 |
6 |
10561 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
25 |
9 |
10556 |
189.6 |
-1.5 |
0.438 |
1 |
0 |
0 |
0.000 |
| Average: |
210.1 |
-1.1 |
0.487 |
2 |
1 |
0 |
0.000 |
| 12 |
30 |
|
F |
25 |
8 |
10841 |
◊ |
D |
-x+3/2,-y+1,z-1/2 |
2_664 |
16 |
7 |
10725 |
188.6 |
0.3 |
0.687 |
4 |
0 |
0 |
0.008 |
| 13 |
31 |
|
A |
15 |
6 |
10561 |
◊ |
E |
-x+2,y-1/2,-z+1/2 |
3_745 |
13 |
5 |
10891 |
96.9 |
-1.7 |
0.329 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
D |
9 |
4 |
10725 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
5 |
3 |
10891 |
62.2 |
0.5 |
0.724 |
1 |
1 |
0 |
0.000 |
| 15 |
33 |
|
[ACP]C:228 |
6 |
1 |
643 |
f |
[U5P]C:227 |
x,y,z |
1_555 |
5 |
1 |
434 |
53.5 |
-3.3 |
0.312 |
0 |
0 |
0 |
0.072 |
34 |
|
[ACP]E:228 |
6 |
1 |
642 |
f |
[U5P]E:227 |
x,y,z |
1_555 |
5 |
1 |
434 |
53.3 |
-3.2 |
0.298 |
0 |
0 |
0 |
0.072 |
35 |
|
[ACP]B:228 |
6 |
1 |
645 |
f |
[U5P]B:227 |
x,y,z |
1_555 |
5 |
1 |
430 |
53.1 |
-3.5 |
0.284 |
0 |
0 |
0 |
0.072 |
36 |
|
[ACP]D:228 |
6 |
1 |
645 |
f |
[U5P]D:227 |
x,y,z |
1_555 |
5 |
1 |
436 |
52.7 |
-3.1 |
0.313 |
0 |
0 |
0 |
0.072 |
37 |
|
[ACP]A:228 |
5 |
1 |
645 |
f |
[U5P]A:227 |
x,y,z |
1_555 |
5 |
1 |
432 |
51.9 |
-3.3 |
0.301 |
0 |
0 |
0 |
0.072 |
| Average: |
52.9 |
-3.3 |
0.302 |
0 |
0 |
0 |
0.072 |
| 16 |
38 |
|
[CO]C:229 |
1 |
1 |
125 |
f |
[ACP]C:228 |
x,y,z |
1_555 |
6 |
1 |
643 |
46.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.122 |
39 |
|
[CO]B:229 |
1 |
1 |
125 |
f |
[ACP]B:228 |
x,y,z |
1_555 |
7 |
1 |
645 |
45.7 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.122 |
40 |
|
[CO]E:229 |
1 |
1 |
125 |
f |
[ACP]E:228 |
x,y,z |
1_555 |
6 |
1 |
642 |
43.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.122 |
41 |
|
[CO]A:229 |
1 |
1 |
125 |
f |
[ACP]A:228 |
x,y,z |
1_555 |
5 |
1 |
645 |
40.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.122 |
| Average: |
44.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.122 |
| 17 |
42 |
|
[CO]A:229 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
10561 |
45.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.082 |
43 |
|
[CO]E:229 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
10891 |
40.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.082 |
44 |
|
[CO]B:229 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
10570 |
31.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.082 |
45 |
|
[CO]C:229 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
7 |
6 |
10556 |
29.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.082 |
| Average: |
36.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.082 |
| 18 |
46 |
|
[CO]A:230 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
10556 |
40.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.063 |
47 |
|
[CO]A:230 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
10561 |
39.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
48 |
|
[CO]B:230 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
10725 |
39.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
49 |
|
[CO]B:230 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
10841 |
39.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.063 |
50 |
|
[CO]B:230 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
10570 |
39.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
51 |
|
[CO]A:230 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
10891 |
38.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.063 |
| Average: |
39.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.063 |
| 19 |
52 |
|
[CO]C:229 |
1 |
1 |
125 |
f |
[U5P]C:227 |
x,y,z |
1_555 |
5 |
1 |
434 |
37.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.107 |
53 |
|
[CO]B:229 |
1 |
1 |
125 |
f |
[U5P]B:227 |
x,y,z |
1_555 |
5 |
1 |
430 |
36.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.107 |
54 |
|
[CO]E:229 |
1 |
1 |
125 |
f |
[U5P]E:227 |
x,y,z |
1_555 |
6 |
1 |
434 |
35.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.107 |
55 |
|
[CO]A:229 |
1 |
1 |
125 |
f |
[U5P]A:227 |
x,y,z |
1_555 |
5 |
1 |
432 |
33.9 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.107 |
| Average: |
35.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.107 |
| 20 |
56 |
|
[MG]F:229 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
5 |
10841 |
37.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.057 |
57 |
|
[MG]D:229 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
10725 |
31.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
34.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.057 |
| 21 |
58 |
|
[4TC]F:227 |
5 |
1 |
951 |
f |
[MG]F:229 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.066 |
| 22 |
59 |
|
[MG]D:229 |
1 |
1 |
98 |
f |
[ACP]D:228 |
x,y,z |
1_555 |
3 |
1 |
645 |
33.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.051 |
| 23 |
60 |
|
F |
4 |
1 |
10841 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
10570 |
30.7 |
0.9 |
0.583 |
0 |
0 |
0 |
0.000 |
| 24 |
61 |
|
[MG]D:229 |
1 |
1 |
98 |
f |
[U5P]D:227 |
x,y,z |
1_555 |
4 |
1 |
436 |
26.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.042 |
| 25 |
62 |
|
A |
4 |
3 |
10561 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
3 |
10570 |
16.3 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| 26 |
63 |
|
[4TC]F:227 |
1 |
1 |
951 |
◊ |
C |
-x+3/2,-y+1,z-1/2 |
2_664 |
2 |
1 |
10556 |
7.2 |
0.5 |
0.778 |
0 |
0 |
0 |
0.000 |
| 27 |
64 |
|
[4TC]F:227 |
1 |
1 |
951 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10561 |
0.7 |
0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
| 28 |
65 |
|
F |
1 |
1 |
10841 |
◊ |
[ACP]C:228 |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
643 |
0.6 |
-0.0 |
0.490 |
0 |
0 |
0 |
0.000 |
|