## |
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 |
112 |
29 |
6620 |
◊ |
F |
x,y,z |
1_555 |
114 |
31 |
6601 |
1016.5 |
-11.3 |
0.228 |
11 |
8 |
0 |
0.586 |
2 |
|
G |
112 |
29 |
6555 |
◊ |
E |
x,y,z |
1_555 |
115 |
29 |
6585 |
1014.9 |
-11.7 |
0.235 |
10 |
8 |
0 |
0.586 |
3 |
|
D |
111 |
29 |
6603 |
◊ |
A |
x,y,z |
1_555 |
116 |
29 |
6591 |
1002.9 |
-11.2 |
0.243 |
14 |
8 |
0 |
0.586 |
4 |
|
C |
116 |
30 |
6605 |
◊ |
B |
x,y,z |
1_555 |
117 |
29 |
6585 |
1002.9 |
-11.1 |
0.253 |
11 |
8 |
0 |
0.586 |
Average: |
1009.3 |
-11.3 |
0.240 |
12 |
8 |
0 |
0.586 |
2 |
5 |
|
D |
79 |
24 |
6603 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
80 |
25 |
6620 |
743.5 |
-8.4 |
0.257 |
8 |
0 |
0 |
0.380 |
6 |
|
A |
80 |
24 |
6591 |
◊ |
F |
-x+3/2,-y,z-1/2 |
2_654 |
79 |
24 |
6601 |
731.2 |
-8.1 |
0.260 |
9 |
0 |
0 |
0.380 |
7 |
|
G |
77 |
24 |
6555 |
◊ |
B |
x,y,z |
1_555 |
76 |
24 |
6585 |
728.5 |
-8.6 |
0.214 |
8 |
0 |
0 |
0.380 |
8 |
|
E |
75 |
24 |
6585 |
◊ |
C |
x,y,z |
1_555 |
73 |
24 |
6605 |
724.7 |
-8.3 |
0.246 |
8 |
0 |
0 |
0.380 |
Average: |
732.0 |
-8.3 |
0.244 |
8 |
0 |
0 |
0.380 |
3 |
9 |
|
[9TQ]A:202 |
26 |
1 |
809 |
f |
A |
x,y,z |
1_555 |
29 |
14 |
6591 |
276.3 |
-6.5 |
0.749 |
2 |
0 |
0 |
0.165 |
10 |
|
[9TQ]C:202 |
26 |
1 |
809 |
f |
C |
x,y,z |
1_555 |
31 |
13 |
6605 |
272.5 |
-6.6 |
0.749 |
1 |
0 |
0 |
0.165 |
Average: |
274.4 |
-6.6 |
0.749 |
2 |
0 |
0 |
0.165 |
4 |
11 |
|
C |
32 |
10 |
6605 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
9 |
6585 |
242.8 |
-0.5 |
0.641 |
1 |
0 |
0 |
0.000 |
12 |
|
A |
33 |
12 |
6591 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
11 |
6603 |
232.1 |
-0.4 |
0.660 |
1 |
0 |
0 |
0.000 |
Average: |
237.4 |
-0.4 |
0.650 |
1 |
0 |
0 |
0.000 |
5 |
13 |
|
[9TQ]B:202 |
17 |
1 |
795 |
f |
B |
x,y,z |
1_555 |
24 |
12 |
6585 |
210.8 |
-5.6 |
0.673 |
2 |
0 |
0 |
0.198 |
14 |
|
[9TQ]D:202 |
17 |
1 |
780 |
f |
D |
x,y,z |
1_555 |
25 |
12 |
6603 |
208.9 |
-5.8 |
0.661 |
1 |
0 |
0 |
0.198 |
Average: |
209.9 |
-5.7 |
0.667 |
2 |
0 |
0 |
0.198 |
6 |
15 |
|
G |
15 |
6 |
6555 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
6591 |
174.1 |
-2.7 |
0.286 |
0 |
1 |
0 |
0.000 |
7 |
16 |
|
H |
14 |
5 |
6620 |
◊ |
E |
x,y,z |
1_555 |
16 |
10 |
6585 |
156.0 |
-2.4 |
0.182 |
1 |
0 |
0 |
0.000 |
8 |
17 |
|
B |
19 |
6 |
6585 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
22 |
8 |
6620 |
154.2 |
-2.2 |
0.352 |
1 |
0 |
0 |
0.000 |
9 |
18 |
|
G |
17 |
7 |
6555 |
x |
G |
x-1/2,-y-1/2,-z |
4_445 |
18 |
5 |
6555 |
144.4 |
-2.2 |
0.332 |
0 |
0 |
0 |
0.000 |
10 |
19 |
|
D |
13 |
5 |
6603 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
5 |
6605 |
140.4 |
-0.5 |
0.574 |
1 |
0 |
0 |
0.000 |
20 |
|
A |
18 |
7 |
6591 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
7 |
6585 |
136.8 |
-0.7 |
0.554 |
1 |
0 |
0 |
0.000 |
Average: |
138.6 |
-0.6 |
0.564 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
G |
19 |
8 |
6555 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
6603 |
130.4 |
-2.3 |
0.307 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[9TQ]C:202 |
18 |
1 |
809 |
◊ |
[9TQ]B:202 |
x-1,y,z |
1_455 |
19 |
1 |
795 |
130.2 |
-4.4 |
0.984 |
0 |
0 |
0 |
0.000 |
23 |
|
[9TQ]A:202 |
18 |
1 |
809 |
◊ |
[9TQ]D:202 |
x-1,y,z |
1_455 |
19 |
1 |
780 |
127.9 |
-4.4 |
0.984 |
0 |
0 |
0 |
0.000 |
Average: |
129.1 |
-4.4 |
0.984 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
E |
11 |
5 |
6585 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
17 |
7 |
6555 |
110.9 |
-1.8 |
0.321 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
D |
14 |
6 |
6603 |
◊ |
F |
-x+2,y-1/2,-z-1/2 |
3_744 |
11 |
5 |
6601 |
109.5 |
-0.8 |
0.354 |
1 |
0 |
0 |
0.000 |
15 |
26 |
|
F |
13 |
3 |
6601 |
◊ |
B |
x,y,z |
1_555 |
14 |
6 |
6585 |
107.9 |
1.1 |
0.773 |
1 |
0 |
0 |
0.000 |
16 |
27 |
|
D |
10 |
1 |
6603 |
◊ |
[9TQ]C:202 |
-x+1,y-1/2,-z-1/2 |
3_644 |
14 |
1 |
809 |
106.9 |
-1.6 |
0.834 |
1 |
0 |
0 |
0.000 |
28 |
|
[9TQ]A:202 |
14 |
1 |
809 |
◊ |
B |
-x+1,y-1/2,-z-1/2 |
3_644 |
11 |
3 |
6585 |
106.4 |
-1.4 |
0.837 |
1 |
0 |
0 |
0.000 |
Average: |
106.7 |
-1.5 |
0.836 |
1 |
0 |
0 |
0.000 |
17 |
29 |
|
[9TQ]A:202 |
14 |
1 |
809 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
6 |
6603 |
95.6 |
-2.3 |
0.747 |
0 |
0 |
0 |
0.000 |
30 |
|
[9TQ]C:202 |
13 |
1 |
809 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
6 |
6585 |
92.9 |
-2.1 |
0.694 |
0 |
0 |
0 |
0.000 |
Average: |
94.3 |
-2.2 |
0.720 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
A |
9 |
4 |
6591 |
◊ |
F |
-x+1,y-1/2,-z-1/2 |
3_644 |
10 |
6 |
6601 |
94.2 |
2.1 |
0.880 |
3 |
1 |
0 |
0.000 |
19 |
32 |
|
E |
10 |
2 |
6585 |
◊ |
[9TQ]D:202 |
x-1/2,-y-1/2,-z |
4_445 |
12 |
1 |
780 |
93.9 |
-3.5 |
0.686 |
1 |
0 |
0 |
0.038 |
20 |
33 |
|
A |
11 |
4 |
6591 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
11 |
4 |
6605 |
85.3 |
-1.3 |
0.395 |
0 |
0 |
0 |
0.000 |
21 |
34 |
|
H |
11 |
4 |
6620 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
6585 |
83.5 |
-0.7 |
0.471 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
C |
11 |
7 |
6605 |
◊ |
H |
x-1,y,z |
1_455 |
15 |
5 |
6620 |
72.8 |
0.9 |
0.776 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
F |
7 |
5 |
6601 |
x |
F |
x-1/2,-y+1/2,-z |
4_455 |
6 |
3 |
6601 |
62.3 |
1.3 |
0.848 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[CA]F:201 |
1 |
1 |
85 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
6601 |
44.3 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.587 |
38 |
|
[CA]E:201 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
6 |
4 |
6585 |
44.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.587 |
39 |
|
[CA]G:201 |
1 |
1 |
85 |
f |
G |
x,y,z |
1_555 |
4 |
4 |
6555 |
44.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.587 |
40 |
|
[CA]A:201 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
6591 |
31.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.587 |
41 |
|
[CA]C:201 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6605 |
31.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.587 |
42 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
6585 |
30.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.587 |
43 |
|
[CA]D:201 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
6603 |
30.5 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.587 |
Average: |
36.5 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.587 |
25 |
44 |
|
[9TQ]D:202 |
3 |
1 |
780 |
◊ |
[9TQ]B:202 |
-x+2,y-1/2,-z-1/2 |
3_744 |
3 |
1 |
795 |
41.8 |
0.2 |
0.941 |
0 |
0 |
0 |
0.000 |
26 |
45 |
|
[9TQ]A:202 |
3 |
1 |
809 |
◊ |
[9TQ]C:202 |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
809 |
40.7 |
-3.8 |
0.296 |
1 |
0 |
0 |
0.000 |
27 |
46 |
|
G |
6 |
3 |
6555 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
6585 |
30.0 |
0.1 |
0.594 |
0 |
0 |
0 |
0.000 |
28 |
47 |
|
A |
7 |
4 |
6591 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
5 |
3 |
6620 |
29.1 |
-0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
48 |
|
D |
7 |
4 |
6603 |
◊ |
F |
-x+3/2,-y,z-1/2 |
2_654 |
7 |
5 |
6601 |
28.5 |
0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
49 |
|
E |
7 |
4 |
6585 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
6585 |
25.3 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
50 |
|
G |
6 |
4 |
6555 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
6605 |
24.6 |
0.1 |
0.656 |
0 |
0 |
0 |
0.000 |
Average: |
26.9 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.001 |
29 |
51 |
|
C |
5 |
2 |
6605 |
◊ |
[9TQ]B:202 |
x-1,y,z |
1_455 |
4 |
1 |
795 |
28.4 |
-1.1 |
0.607 |
0 |
0 |
0 |
0.000 |
52 |
|
A |
5 |
2 |
6591 |
◊ |
[9TQ]D:202 |
x-1,y,z |
1_455 |
4 |
1 |
780 |
26.8 |
-1.0 |
0.614 |
0 |
0 |
0 |
0.000 |
Average: |
27.6 |
-1.0 |
0.611 |
0 |
0 |
0 |
0.000 |
30 |
53 |
|
[9TQ]C:202 |
4 |
1 |
809 |
f |
[CA]C:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.7 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.109 |
54 |
|
[9TQ]A:202 |
4 |
1 |
809 |
f |
[CA]A:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
26.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.109 |
31 |
55 |
|
[9TQ]D:202 |
3 |
1 |
780 |
◊ |
[9TQ]C:202 |
-x+1,y-1/2,-z-1/2 |
3_644 |
4 |
1 |
809 |
26.7 |
-1.0 |
0.739 |
1 |
0 |
0 |
0.000 |
56 |
|
[9TQ]A:202 |
4 |
1 |
809 |
◊ |
[9TQ]B:202 |
-x+1,y-1/2,-z-1/2 |
3_644 |
3 |
1 |
795 |
19.0 |
-0.7 |
0.816 |
1 |
0 |
0 |
0.000 |
Average: |
22.8 |
-0.8 |
0.778 |
1 |
0 |
0 |
0.000 |
32 |
57 |
|
[9TQ]D:202 |
4 |
1 |
780 |
f |
[CA]D:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.154 |
58 |
|
[9TQ]B:202 |
4 |
1 |
795 |
f |
[CA]B:201 |
x,y,z |
1_555 |
1 |
1 |
85 |
26.0 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
26.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.154 |
33 |
59 |
|
E |
2 |
1 |
6585 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
3 |
6620 |
20.6 |
0.6 |
0.847 |
0 |
0 |
0 |
0.000 |
34 |
60 |
|
E |
5 |
3 |
6585 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6585 |
13.8 |
0.1 |
0.705 |
0 |
0 |
0 |
0.000 |
35 |
61 |
|
C |
2 |
1 |
6605 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
1 |
6620 |
12.9 |
-0.4 |
0.337 |
0 |
0 |
0 |
0.000 |
36 |
62 |
|
[9TQ]D:202 |
2 |
1 |
780 |
◊ |
B |
-x+2,y-1/2,-z-1/2 |
3_744 |
1 |
1 |
6585 |
12.3 |
0.3 |
0.873 |
0 |
0 |
0 |
0.000 |
63 |
|
D |
1 |
1 |
6603 |
◊ |
[9TQ]B:202 |
-x+2,y-1/2,-z-1/2 |
3_744 |
2 |
1 |
795 |
6.4 |
0.2 |
0.870 |
0 |
0 |
0 |
0.000 |
Average: |
9.3 |
0.2 |
0.872 |
0 |
0 |
0 |
0.000 |
37 |
64 |
|
[9TQ]B:202 |
2 |
1 |
795 |
◊ |
E |
-x+3/2,-y,z-1/2 |
2_654 |
2 |
2 |
6585 |
4.6 |
-0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
38 |
65 |
|
G |
1 |
1 |
6555 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6620 |
3.0 |
-0.1 |
0.409 |
0 |
0 |
0 |
0.000 |
39 |
66 |
|
C |
1 |
1 |
6605 |
◊ |
G |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
6555 |
0.2 |
-0.0 |
0.618 |
0 |
0 |
0 |
0.000 |
|