| ## |
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 |
|
E |
297 |
79 |
19944 |
◊ |
A |
x,y,z |
1_555 |
305 |
80 |
19965 |
2999.9 |
-28.5 |
0.080 |
34 |
8 |
0 |
0.793 |
2 |
|
H |
298 |
78 |
19882 |
◊ |
B |
x,y,z |
1_555 |
290 |
78 |
19735 |
2833.3 |
-24.8 |
0.113 |
34 |
12 |
0 |
0.793 |
3 |
|
G |
294 |
77 |
20036 |
◊ |
C |
x,y,z |
1_555 |
296 |
80 |
19870 |
2807.9 |
-28.1 |
0.077 |
35 |
7 |
0 |
0.793 |
4 |
|
F |
285 |
77 |
19678 |
◊ |
D |
x,y,z |
1_555 |
286 |
77 |
19834 |
2728.4 |
-26.9 |
0.070 |
34 |
9 |
0 |
0.793 |
| Average: |
2842.4 |
-27.0 |
0.085 |
34 |
9 |
0 |
0.793 |
| 2 |
5 |
|
D |
96 |
27 |
19834 |
◊ |
C |
x,y,z |
1_555 |
93 |
26 |
19870 |
873.3 |
-7.6 |
0.264 |
13 |
3 |
0 |
0.856 |
6 |
|
H |
87 |
28 |
19882 |
◊ |
E |
x,y,z |
1_555 |
86 |
26 |
19944 |
845.7 |
-8.2 |
0.192 |
13 |
0 |
0 |
0.856 |
7 |
|
C |
84 |
26 |
19870 |
◊ |
B |
x,y,z |
1_555 |
84 |
26 |
19735 |
828.9 |
-7.3 |
0.221 |
13 |
1 |
0 |
0.856 |
8 |
|
B |
89 |
28 |
19735 |
◊ |
A |
x,y,z |
1_555 |
88 |
25 |
19965 |
821.5 |
-7.5 |
0.241 |
12 |
0 |
0 |
0.856 |
9 |
|
G |
87 |
27 |
20036 |
◊ |
F |
x,y,z |
1_555 |
88 |
28 |
19678 |
821.1 |
-7.2 |
0.247 |
13 |
0 |
0 |
0.856 |
10 |
|
F |
85 |
26 |
19678 |
◊ |
E |
x,y,z |
1_555 |
82 |
26 |
19944 |
817.6 |
-8.2 |
0.196 |
12 |
0 |
0 |
0.856 |
11 |
|
D |
88 |
27 |
19834 |
◊ |
A |
x,y,z |
1_555 |
89 |
27 |
19965 |
815.7 |
-8.6 |
0.179 |
11 |
0 |
0 |
0.856 |
12 |
|
H |
80 |
26 |
19882 |
◊ |
G |
x,y,z |
1_555 |
85 |
25 |
20036 |
806.0 |
-8.3 |
0.194 |
11 |
1 |
0 |
0.856 |
| Average: |
828.7 |
-7.9 |
0.217 |
12 |
1 |
0 |
0.856 |
| 3 |
13 |
|
G |
39 |
12 |
20036 |
◊ |
D |
x,y,z |
1_555 |
33 |
12 |
19834 |
325.9 |
3.9 |
0.892 |
3 |
3 |
0 |
0.000 |
14 |
|
E |
34 |
12 |
19944 |
◊ |
B |
x,y,z |
1_555 |
39 |
11 |
19735 |
295.5 |
2.0 |
0.822 |
4 |
2 |
0 |
0.000 |
15 |
|
F |
30 |
13 |
19678 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
19965 |
262.6 |
2.0 |
0.815 |
4 |
2 |
0 |
0.000 |
16 |
|
H |
24 |
9 |
19882 |
◊ |
C |
x,y,z |
1_555 |
29 |
10 |
19870 |
212.0 |
1.5 |
0.791 |
3 |
2 |
0 |
0.000 |
| Average: |
274.0 |
2.3 |
0.830 |
4 |
2 |
0 |
0.000 |
| 4 |
17 |
|
H |
41 |
15 |
19882 |
◊ |
D |
x,y,z-1 |
1_554 |
39 |
13 |
19834 |
325.5 |
2.9 |
0.860 |
4 |
3 |
0 |
0.000 |
| 5 |
18 |
|
H |
27 |
7 |
19882 |
◊ |
F |
x,y-1,z |
1_545 |
26 |
7 |
19678 |
253.2 |
5.9 |
0.971 |
6 |
13 |
0 |
0.000 |
| 6 |
19 |
|
G |
27 |
9 |
20036 |
◊ |
F |
x-1,y,z |
1_455 |
32 |
11 |
19678 |
231.1 |
2.0 |
0.825 |
4 |
2 |
0 |
0.005 |
20 |
|
H |
32 |
11 |
19882 |
◊ |
E |
x-1,y,z |
1_455 |
27 |
10 |
19944 |
228.8 |
1.0 |
0.746 |
3 |
1 |
0 |
0.005 |
| Average: |
229.9 |
1.5 |
0.786 |
4 |
2 |
0 |
0.005 |
| 7 |
21 |
|
B |
20 |
6 |
19735 |
◊ |
D |
x-1,y,z |
1_455 |
23 |
7 |
19834 |
197.9 |
2.9 |
0.890 |
3 |
3 |
0 |
0.000 |
| 8 |
22 |
|
C |
18 |
6 |
19870 |
◊ |
D |
x-1,y,z |
1_455 |
15 |
7 |
19834 |
161.4 |
1.9 |
0.794 |
2 |
4 |
0 |
0.009 |
23 |
|
B |
15 |
7 |
19735 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
6 |
19965 |
151.6 |
1.3 |
0.779 |
4 |
3 |
0 |
0.009 |
| Average: |
156.5 |
1.6 |
0.787 |
3 |
4 |
0 |
0.009 |
| 9 |
24 |
|
C |
15 |
7 |
19870 |
◊ |
E |
x-1,y,z+1 |
1_456 |
18 |
8 |
19944 |
151.7 |
1.7 |
0.813 |
3 |
2 |
0 |
0.000 |
| 10 |
25 |
|
[DO3]F:451 |
13 |
1 |
506 |
f |
F |
x,y,z |
1_555 |
19 |
8 |
19678 |
146.4 |
-0.4 |
0.233 |
3 |
0 |
0 |
0.031 |
| 11 |
26 |
|
[DO3]H:449 |
14 |
1 |
498 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
19882 |
139.3 |
-0.2 |
0.239 |
1 |
0 |
0 |
0.011 |
| 12 |
27 |
|
B |
11 |
5 |
19735 |
◊ |
E |
x-1,y,z+1 |
1_456 |
24 |
10 |
19944 |
132.1 |
3.1 |
0.893 |
2 |
1 |
0 |
0.000 |
| 13 |
28 |
|
[DO3]E:450 |
13 |
1 |
519 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
19944 |
127.7 |
0.7 |
0.354 |
2 |
0 |
0 |
0.026 |
29 |
|
[DO3]G:451 |
13 |
1 |
522 |
f |
G |
x,y,z |
1_555 |
16 |
6 |
20036 |
124.6 |
-1.5 |
0.319 |
0 |
0 |
0 |
0.026 |
| Average: |
126.2 |
-0.4 |
0.336 |
1 |
0 |
0 |
0.026 |
| 14 |
30 |
|
[DO3]G:451 |
12 |
1 |
522 |
◊ |
F |
x-1,y,z |
1_455 |
13 |
6 |
19678 |
109.4 |
2.6 |
0.668 |
2 |
0 |
0 |
0.000 |
31 |
|
H |
13 |
6 |
19882 |
◊ |
[DO3]E:450 |
x-1,y,z |
1_455 |
11 |
1 |
519 |
101.3 |
2.4 |
0.529 |
1 |
0 |
0 |
0.000 |
| Average: |
105.3 |
2.5 |
0.599 |
2 |
0 |
0 |
0.000 |
| 15 |
32 |
|
H |
15 |
5 |
19882 |
◊ |
A |
x,y,z-1 |
1_554 |
9 |
4 |
19965 |
104.0 |
0.6 |
0.732 |
1 |
0 |
0 |
0.000 |
| 16 |
33 |
|
A |
11 |
4 |
19965 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
5 |
19834 |
94.0 |
1.3 |
0.795 |
2 |
1 |
0 |
0.000 |
34 |
|
B |
8 |
4 |
19735 |
◊ |
C |
x,y-1,z |
1_545 |
9 |
5 |
19870 |
91.6 |
1.5 |
0.815 |
1 |
0 |
0 |
0.000 |
| Average: |
92.8 |
1.4 |
0.805 |
2 |
1 |
0 |
0.000 |
| 17 |
35 |
|
[DO3]F:451 |
4 |
1 |
506 |
f |
[LU]F:448 |
x,y,z |
1_555 |
1 |
1 |
186 |
79.8 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.295 |
36 |
|
[DO3]H:449 |
3 |
1 |
498 |
f |
[LU]H:448 |
x,y,z |
1_555 |
1 |
1 |
186 |
79.0 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.295 |
37 |
|
[DO3]E:450 |
5 |
1 |
519 |
f |
[LU]E:448 |
x,y,z |
1_555 |
1 |
1 |
186 |
72.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.295 |
38 |
|
[DO3]G:451 |
5 |
1 |
522 |
f |
[LU]G:448 |
x,y,z |
1_555 |
1 |
1 |
186 |
72.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.295 |
| Average: |
75.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.295 |
| 18 |
39 |
|
[LU]C:449 |
1 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
19870 |
41.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.062 |
40 |
|
[LU]E:449 |
1 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
7 |
4 |
19944 |
24.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.062 |
41 |
|
[LU]A:449 |
1 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
19965 |
21.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.062 |
42 |
|
[LU]G:449 |
1 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
4 |
3 |
20036 |
19.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.062 |
43 |
|
[LU]F:449 |
1 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
4 |
3 |
19678 |
18.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.062 |
44 |
|
[LU]B:449 |
1 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
19735 |
13.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.062 |
45 |
|
[LU]D:449 |
1 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
19834 |
12.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
21.7 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.062 |
| 19 |
46 |
|
[LU]F:450 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
19944 |
40.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
47 |
|
[LU]G:450 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
5 |
3 |
20036 |
28.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.022 |
| Average: |
34.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 20 |
48 |
|
[LU]A:448 |
1 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
2 |
19965 |
38.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.083 |
49 |
|
[LU]C:448 |
1 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
8 |
2 |
19870 |
35.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.083 |
50 |
|
[LU]F:448 |
1 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
7 |
2 |
19678 |
33.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.083 |
51 |
|
[LU]E:448 |
1 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
8 |
2 |
19944 |
32.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.083 |
52 |
|
[LU]H:448 |
1 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
8 |
2 |
19882 |
32.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.083 |
53 |
|
[LU]B:448 |
1 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
2 |
19735 |
31.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.083 |
54 |
|
[LU]G:448 |
1 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
7 |
2 |
20036 |
30.7 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.083 |
55 |
|
[LU]D:448 |
1 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
4 |
2 |
19834 |
10.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.083 |
| Average: |
30.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.083 |
| 21 |
56 |
|
G |
5 |
3 |
20036 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
3 |
19834 |
37.4 |
0.8 |
0.811 |
0 |
1 |
0 |
0.000 |
| 22 |
57 |
|
[LU]F:450 |
1 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
19678 |
36.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.029 |
58 |
|
[LU]G:450 |
1 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
19882 |
24.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
30.5 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.029 |
| 23 |
59 |
|
A |
4 |
3 |
19965 |
◊ |
G |
x,y-1,z+1 |
1_546 |
6 |
2 |
20036 |
35.3 |
0.9 |
0.808 |
1 |
1 |
0 |
0.000 |
| 24 |
60 |
|
[LU]C:449 |
1 |
1 |
186 |
◊ |
F |
x-1,y,z+1 |
1_456 |
5 |
2 |
19678 |
34.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
| 25 |
61 |
|
B |
2 |
1 |
19735 |
◊ |
[LU]F:449 |
x-1,y-1,z+1 |
1_446 |
1 |
1 |
186 |
33.2 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.013 |
| 26 |
62 |
|
B |
4 |
1 |
19735 |
◊ |
[LU]E:449 |
x-1,y,z+1 |
1_456 |
1 |
1 |
186 |
31.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
63 |
|
[LU]G:448 |
1 |
1 |
186 |
◊ |
F |
x-1,y,z |
1_455 |
3 |
2 |
19678 |
25.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
64 |
|
H |
3 |
2 |
19882 |
◊ |
[LU]E:448 |
x-1,y,z |
1_455 |
1 |
1 |
186 |
25.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
25.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.004 |
| 28 |
65 |
|
[LU]F:450 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19965 |
25.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.004 |
66 |
|
[LU]G:450 |
1 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
19870 |
20.4 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
23.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| 29 |
67 |
|
C |
4 |
3 |
19870 |
◊ |
[LU]D:448 |
x-1,y,z |
1_455 |
1 |
1 |
186 |
19.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.009 |
68 |
|
[LU]B:448 |
1 |
1 |
186 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
3 |
19965 |
13.9 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
16.5 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
| 30 |
69 |
|
G |
2 |
1 |
20036 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
19944 |
12.8 |
0.5 |
0.826 |
0 |
0 |
0 |
0.000 |
| 31 |
70 |
|
C |
2 |
2 |
19870 |
◊ |
F |
x-1,y,z+1 |
1_456 |
4 |
2 |
19678 |
6.7 |
0.3 |
0.769 |
0 |
0 |
0 |
0.000 |
| 32 |
71 |
|
E |
1 |
1 |
19944 |
◊ |
[DO3]F:451 |
x,y-1,z |
1_545 |
1 |
1 |
506 |
3.7 |
0.1 |
0.416 |
0 |
0 |
0 |
0.000 |
| 33 |
72 |
|
[DO3]H:449 |
2 |
1 |
498 |
◊ |
G |
x,y-1,z |
1_545 |
1 |
1 |
20036 |
3.5 |
-0.0 |
0.374 |
0 |
0 |
0 |
0.000 |
|