## |
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 |
|
D |
220 |
53 |
15735 |
◊ |
C |
x,y,z |
1_555 |
220 |
51 |
15051 |
2175.3 |
-18.0 |
0.090 |
24 |
14 |
0 |
0.598 |
2 |
2 |
|
E |
217 |
54 |
15519 |
◊ |
F |
x,y,z |
1_555 |
219 |
54 |
15492 |
2109.7 |
-18.1 |
0.111 |
22 |
9 |
0 |
0.478 |
3 |
3 |
|
B |
219 |
53 |
15411 |
◊ |
A |
x,y,z |
1_555 |
223 |
50 |
15435 |
2019.9 |
-18.5 |
0.082 |
23 |
16 |
0 |
0.505 |
4 |
4 |
|
B |
88 |
25 |
15411 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
68 |
21 |
15435 |
704.6 |
0.4 |
0.619 |
7 |
6 |
0 |
0.000 |
5 |
5 |
|
D |
64 |
21 |
15735 |
◊ |
F |
x,y,z |
1_555 |
59 |
15 |
15492 |
577.3 |
0.4 |
0.629 |
8 |
4 |
0 |
0.000 |
6 |
6 |
|
B |
65 |
21 |
15411 |
◊ |
F |
x,y,z |
1_555 |
66 |
19 |
15492 |
571.7 |
-3.7 |
0.331 |
6 |
2 |
0 |
0.000 |
7 |
7 |
|
A |
59 |
20 |
15435 |
◊ |
C |
x-1,y,z |
1_455 |
50 |
14 |
15051 |
529.4 |
-3.0 |
0.280 |
8 |
1 |
0 |
0.000 |
8 |
8 |
|
E |
65 |
22 |
15519 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
62 |
20 |
15735 |
511.4 |
0.4 |
0.615 |
5 |
5 |
0 |
0.000 |
9 |
9 |
|
B |
54 |
17 |
15411 |
◊ |
E |
x,y,z-1 |
1_554 |
48 |
12 |
15519 |
471.5 |
2.6 |
0.769 |
9 |
2 |
0 |
0.000 |
10 |
10 |
|
A |
48 |
15 |
15435 |
◊ |
F |
x-1,y,z-1 |
1_454 |
43 |
15 |
15492 |
457.6 |
-1.7 |
0.374 |
1 |
0 |
0 |
0.000 |
11 |
11 |
|
C |
35 |
10 |
15051 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
34 |
9 |
15519 |
336.8 |
2.6 |
0.764 |
8 |
3 |
0 |
0.000 |
12 |
12 |
|
F |
37 |
11 |
15492 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
34 |
10 |
15735 |
334.9 |
2.3 |
0.696 |
2 |
3 |
0 |
0.000 |
13 |
13 |
|
C |
33 |
13 |
15051 |
◊ |
E |
x,y,z-1 |
1_554 |
30 |
14 |
15519 |
283.3 |
0.6 |
0.501 |
1 |
0 |
0 |
0.000 |
14 |
14 |
|
[C2E]E:301 |
27 |
1 |
762 |
f |
E |
x,y,z |
1_555 |
31 |
12 |
15519 |
257.8 |
-1.0 |
0.649 |
6 |
0 |
0 |
0.060 |
15 |
15 |
|
[C2E]F:301 |
25 |
1 |
754 |
f |
F |
x,y,z |
1_555 |
33 |
13 |
15492 |
254.9 |
-2.0 |
0.586 |
6 |
0 |
0 |
0.076 |
16 |
|
[C2E]A:301 |
26 |
1 |
761 |
f |
A |
x,y,z |
1_555 |
32 |
13 |
15435 |
241.0 |
-0.9 |
0.636 |
6 |
0 |
0 |
0.076 |
Average: |
248.0 |
-1.4 |
0.611 |
6 |
0 |
0 |
0.076 |
16 |
17 |
|
[C2E]B:301 |
25 |
1 |
754 |
f |
B |
x,y,z |
1_555 |
32 |
14 |
15411 |
252.0 |
-0.6 |
0.663 |
4 |
0 |
0 |
0.039 |
17 |
18 |
|
[C2E]C:301 |
27 |
1 |
774 |
f |
C |
x,y,z |
1_555 |
32 |
12 |
15051 |
250.0 |
-1.7 |
0.588 |
6 |
0 |
0 |
0.086 |
18 |
19 |
|
[C2E]D:301 |
25 |
1 |
738 |
f |
D |
x,y,z |
1_555 |
29 |
11 |
15735 |
246.6 |
-0.6 |
0.654 |
4 |
0 |
0 |
0.047 |
19 |
20 |
|
B |
27 |
7 |
15411 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
26 |
8 |
15411 |
234.4 |
-1.3 |
0.418 |
1 |
0 |
0 |
0.000 |
20 |
21 |
|
C |
27 |
8 |
15051 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
23 |
8 |
15051 |
230.7 |
-0.4 |
0.525 |
2 |
2 |
0 |
0.000 |
21 |
22 |
|
[C2E]A:302 |
27 |
1 |
755 |
f |
[C2E]A:301 |
x,y,z |
1_555 |
23 |
1 |
761 |
223.0 |
-1.5 |
0.603 |
4 |
0 |
0 |
0.104 |
23 |
|
[C2E]F:302 |
28 |
1 |
761 |
f |
[C2E]F:301 |
x,y,z |
1_555 |
24 |
1 |
754 |
216.7 |
-1.6 |
0.598 |
4 |
0 |
0 |
0.104 |
24 |
|
[C2E]B:302 |
25 |
1 |
757 |
f |
[C2E]B:301 |
x,y,z |
1_555 |
24 |
1 |
754 |
215.6 |
-1.8 |
0.629 |
3 |
0 |
0 |
0.104 |
25 |
|
[C2E]C:302 |
24 |
1 |
757 |
f |
[C2E]C:301 |
x,y,z |
1_555 |
26 |
1 |
774 |
215.1 |
-0.4 |
0.575 |
2 |
0 |
0 |
0.104 |
26 |
|
[C2E]D:302 |
29 |
1 |
748 |
f |
[C2E]D:301 |
x,y,z |
1_555 |
26 |
1 |
738 |
211.7 |
-1.2 |
0.579 |
3 |
0 |
0 |
0.104 |
27 |
|
[C2E]E:302 |
27 |
1 |
741 |
f |
[C2E]E:301 |
x,y,z |
1_555 |
24 |
1 |
762 |
211.0 |
-0.5 |
0.602 |
3 |
0 |
0 |
0.104 |
Average: |
215.5 |
-1.2 |
0.598 |
3 |
0 |
0 |
0.104 |
22 |
28 |
|
C |
22 |
8 |
15051 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
24 |
6 |
15492 |
214.3 |
0.7 |
0.663 |
4 |
0 |
0 |
0.000 |
23 |
29 |
|
C |
23 |
8 |
15051 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
15411 |
213.8 |
2.5 |
0.819 |
3 |
2 |
0 |
0.000 |
24 |
30 |
|
D |
17 |
6 |
15735 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
26 |
10 |
15492 |
212.5 |
1.2 |
0.640 |
2 |
4 |
0 |
0.000 |
25 |
31 |
|
F |
19 |
7 |
15492 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
23 |
6 |
15435 |
208.5 |
1.6 |
0.693 |
3 |
3 |
0 |
0.000 |
26 |
32 |
|
[C2E]D:302 |
22 |
1 |
748 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
21 |
7 |
15492 |
160.8 |
-0.6 |
0.506 |
2 |
0 |
0 |
0.000 |
27 |
33 |
|
[C2E]D:302 |
19 |
1 |
748 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
15735 |
160.5 |
-0.7 |
0.563 |
2 |
0 |
0 |
0.032 |
28 |
34 |
|
[C2E]B:302 |
17 |
1 |
757 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
15411 |
153.4 |
-1.3 |
0.586 |
4 |
0 |
0 |
0.050 |
29 |
35 |
|
[C2E]E:302 |
18 |
1 |
741 |
f |
E |
x,y,z |
1_555 |
20 |
7 |
15519 |
148.2 |
-0.7 |
0.575 |
2 |
0 |
0 |
0.027 |
30 |
36 |
|
[C2E]A:302 |
18 |
1 |
755 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
15435 |
146.9 |
0.3 |
0.677 |
3 |
0 |
0 |
0.024 |
37 |
|
[C2E]F:302 |
14 |
1 |
761 |
f |
F |
x,y,z |
1_555 |
20 |
7 |
15492 |
127.8 |
-0.6 |
0.581 |
2 |
0 |
0 |
0.024 |
Average: |
137.4 |
-0.1 |
0.629 |
3 |
0 |
0 |
0.024 |
31 |
38 |
|
[C2E]C:302 |
15 |
1 |
757 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
15051 |
145.1 |
-0.3 |
0.568 |
2 |
0 |
0 |
0.023 |
32 |
39 |
|
[C2E]B:302 |
23 |
1 |
757 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
15435 |
117.1 |
0.7 |
0.776 |
1 |
0 |
0 |
0.000 |
33 |
40 |
|
A |
9 |
3 |
15435 |
◊ |
D |
x-1,y,z-1 |
1_454 |
13 |
5 |
15735 |
112.3 |
-1.3 |
0.304 |
0 |
0 |
0 |
0.000 |
34 |
41 |
|
B |
13 |
5 |
15411 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
12 |
6 |
15735 |
109.6 |
-1.5 |
0.228 |
0 |
0 |
0 |
0.000 |
35 |
42 |
|
C |
12 |
4 |
15051 |
◊ |
[C2E]E:302 |
-x,y-1/2,-z |
2_545 |
17 |
1 |
741 |
109.6 |
2.6 |
0.812 |
1 |
0 |
0 |
0.000 |
36 |
43 |
|
[C2E]E:302 |
17 |
1 |
741 |
◊ |
F |
x,y,z |
1_555 |
12 |
2 |
15492 |
109.5 |
0.5 |
0.626 |
1 |
0 |
0 |
0.000 |
37 |
44 |
|
[C2E]D:302 |
16 |
1 |
748 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
15051 |
107.2 |
0.1 |
0.626 |
1 |
0 |
0 |
0.007 |
38 |
45 |
|
[C2E]A:302 |
18 |
1 |
755 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
15411 |
106.8 |
0.7 |
0.708 |
1 |
0 |
0 |
0.000 |
39 |
46 |
|
[C2E]C:302 |
17 |
1 |
757 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
15735 |
101.2 |
1.1 |
0.689 |
1 |
0 |
0 |
0.000 |
40 |
47 |
|
[C2E]F:302 |
14 |
1 |
761 |
◊ |
E |
x,y,z |
1_555 |
9 |
2 |
15519 |
95.5 |
1.0 |
0.699 |
1 |
0 |
0 |
0.000 |
41 |
48 |
|
[C2E]A:301 |
10 |
1 |
761 |
◊ |
D |
x-1,y,z-1 |
1_454 |
7 |
2 |
15735 |
86.4 |
-2.0 |
0.341 |
3 |
0 |
0 |
0.000 |
42 |
49 |
|
A |
12 |
6 |
15435 |
◊ |
D |
x-1,y,z |
1_455 |
8 |
4 |
15735 |
84.8 |
-0.3 |
0.524 |
0 |
1 |
0 |
0.000 |
43 |
50 |
|
[C2E]A:302 |
11 |
1 |
755 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
10 |
3 |
15492 |
84.6 |
-1.6 |
0.456 |
1 |
0 |
0 |
0.000 |
44 |
51 |
|
E |
6 |
2 |
15519 |
◊ |
[C2E]B:302 |
-x-1,y-1/2,-z-1 |
2_444 |
11 |
1 |
757 |
83.5 |
1.5 |
0.778 |
1 |
0 |
0 |
0.000 |
45 |
52 |
|
A |
10 |
5 |
15435 |
◊ |
[C2E]F:301 |
x-1,y,z-1 |
1_454 |
9 |
1 |
754 |
77.5 |
-1.6 |
0.381 |
1 |
0 |
0 |
0.000 |
46 |
53 |
|
E |
7 |
2 |
15519 |
◊ |
[C2E]B:301 |
-x-1,y-1/2,-z-1 |
2_444 |
14 |
1 |
754 |
76.3 |
1.8 |
0.808 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[C2E]D:301 |
9 |
1 |
738 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
6 |
2 |
15492 |
65.7 |
0.8 |
0.721 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
C |
7 |
4 |
15051 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
8 |
3 |
15435 |
63.0 |
-0.7 |
0.404 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
C |
6 |
2 |
15051 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
7 |
2 |
15411 |
59.6 |
0.3 |
0.662 |
1 |
1 |
0 |
0.000 |
50 |
57 |
|
B |
7 |
2 |
15411 |
◊ |
[C2E]B:302 |
-x-1,y-1/2,-z-1 |
2_444 |
5 |
1 |
757 |
53.1 |
-2.1 |
0.230 |
0 |
0 |
0 |
0.000 |
51 |
58 |
|
C |
4 |
2 |
15051 |
◊ |
[C2E]E:301 |
-x,y-1/2,-z |
2_545 |
12 |
1 |
762 |
52.4 |
2.1 |
0.846 |
0 |
0 |
0 |
0.000 |
52 |
59 |
|
[MG]C:303 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
15051 |
51.9 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.169 |
53 |
60 |
|
[MG]A:303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
15435 |
51.7 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.137 |
61 |
|
[MG]F:303 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
15492 |
48.2 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.137 |
Average: |
50.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.137 |
54 |
62 |
|
[C2E]B:301 |
6 |
1 |
754 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15435 |
51.3 |
1.0 |
0.725 |
1 |
0 |
0 |
0.000 |
63 |
|
[C2E]E:301 |
5 |
1 |
762 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
15492 |
49.1 |
0.8 |
0.682 |
1 |
0 |
0 |
0.000 |
Average: |
50.2 |
0.9 |
0.703 |
1 |
0 |
0 |
0.000 |
55 |
64 |
|
[C2E]C:301 |
6 |
1 |
774 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
15735 |
51.3 |
0.9 |
0.702 |
0 |
0 |
0 |
0.000 |
56 |
65 |
|
[MG]E:303 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
15519 |
49.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.135 |
57 |
66 |
|
[C2E]A:301 |
6 |
1 |
761 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15411 |
49.5 |
1.1 |
0.714 |
1 |
0 |
0 |
0.000 |
58 |
67 |
|
[C2E]D:301 |
6 |
1 |
738 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
15051 |
48.7 |
0.6 |
0.676 |
1 |
0 |
0 |
0.000 |
59 |
68 |
|
[C2E]F:301 |
6 |
1 |
754 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
15519 |
48.5 |
0.6 |
0.692 |
1 |
0 |
0 |
0.000 |
60 |
69 |
|
[MG]B:303 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
15411 |
44.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.119 |
61 |
70 |
|
[C2E]A:301 |
4 |
1 |
761 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
7 |
2 |
15492 |
37.9 |
0.3 |
0.575 |
1 |
0 |
0 |
0.000 |
62 |
71 |
|
E |
4 |
3 |
15519 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
4 |
2 |
15051 |
33.3 |
1.5 |
0.890 |
0 |
0 |
0 |
0.000 |
63 |
72 |
|
E |
5 |
2 |
15519 |
x |
E |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
15519 |
30.2 |
-0.4 |
0.408 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
A |
3 |
1 |
15435 |
◊ |
[C2E]C:302 |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
757 |
25.7 |
-1.0 |
0.344 |
0 |
0 |
0 |
0.000 |
65 |
74 |
|
[MG]B:303 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
15492 |
23.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
75 |
|
[C2E]A:302 |
2 |
1 |
755 |
◊ |
D |
x-1,y,z-1 |
1_454 |
3 |
1 |
15735 |
21.7 |
0.5 |
0.669 |
0 |
0 |
0 |
0.000 |
67 |
76 |
|
B |
1 |
1 |
15411 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
15051 |
21.3 |
0.3 |
0.300 |
0 |
0 |
0 |
0.000 |
68 |
77 |
|
A |
1 |
1 |
15435 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
15492 |
19.5 |
0.4 |
0.332 |
0 |
0 |
0 |
0.000 |
69 |
78 |
|
A |
3 |
1 |
15435 |
◊ |
[C2E]F:302 |
x-1,y,z-1 |
1_454 |
1 |
1 |
761 |
17.7 |
0.4 |
0.679 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[MG]F:303 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
15411 |
17.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
80 |
|
E |
2 |
2 |
15519 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
2 |
15435 |
14.3 |
0.4 |
0.807 |
0 |
0 |
0 |
0.000 |
72 |
81 |
|
E |
2 |
2 |
15519 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15411 |
14.2 |
0.3 |
0.611 |
0 |
0 |
0 |
0.000 |
73 |
82 |
|
[MG]A:303 |
1 |
1 |
98 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
15735 |
8.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
83 |
|
D |
1 |
1 |
15735 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15519 |
5.1 |
-0.2 |
0.358 |
0 |
0 |
0 |
0.000 |
75 |
84 |
|
[C2E]C:301 |
1 |
1 |
774 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15411 |
4.5 |
-0.0 |
0.425 |
0 |
0 |
0 |
0.000 |
76 |
85 |
|
F |
1 |
1 |
15492 |
x |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
15492 |
1.5 |
0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
77 |
86 |
|
[C2E]F:302 |
1 |
1 |
761 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
2 |
1 |
15051 |
0.8 |
0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
|