## |
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 |
|
F |
302 |
87 |
18708 |
◊ |
D |
x,y,z |
1_555 |
293 |
77 |
19034 |
2972.5 |
-51.3 |
0.009 |
30 |
8 |
0 |
1.000 |
2 |
|
F |
289 |
78 |
18708 |
◊ |
E |
x,y,z |
1_555 |
297 |
86 |
18970 |
2963.5 |
-48.6 |
0.014 |
31 |
6 |
0 |
1.000 |
3 |
|
E |
297 |
78 |
18970 |
◊ |
D |
x,y,z |
1_555 |
288 |
85 |
19034 |
2957.2 |
-49.1 |
0.011 |
31 |
5 |
0 |
1.000 |
4 |
|
C |
300 |
83 |
18969 |
◊ |
A |
x,y,z |
1_555 |
299 |
78 |
18903 |
2940.8 |
-50.4 |
0.011 |
31 |
7 |
0 |
1.000 |
5 |
|
C |
289 |
76 |
18969 |
◊ |
B |
x,y,z |
1_555 |
299 |
86 |
18732 |
2915.1 |
-48.4 |
0.013 |
32 |
5 |
0 |
1.000 |
6 |
|
B |
289 |
77 |
18732 |
◊ |
A |
x,y,z |
1_555 |
302 |
86 |
18903 |
2903.2 |
-49.8 |
0.013 |
32 |
5 |
0 |
1.000 |
Average: |
2942.1 |
-49.6 |
0.012 |
31 |
6 |
0 |
1.000 |
2 |
7 |
|
B |
51 |
16 |
18732 |
◊ |
G |
x,y-1,z-1 |
1_544 |
50 |
15 |
4871 |
463.5 |
-1.4 |
0.670 |
6 |
0 |
0 |
0.000 |
3 |
8 |
|
I |
35 |
15 |
4603 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
18903 |
371.9 |
-4.9 |
0.101 |
1 |
1 |
0 |
0.075 |
9 |
|
H |
27 |
10 |
4897 |
◊ |
E |
x,y,z |
1_555 |
40 |
12 |
18970 |
333.4 |
-4.5 |
0.178 |
3 |
2 |
0 |
0.075 |
10 |
|
L |
25 |
11 |
4750 |
◊ |
B |
x,y,z |
1_555 |
45 |
12 |
18732 |
326.1 |
-5.1 |
0.093 |
1 |
1 |
0 |
0.075 |
11 |
|
K |
26 |
12 |
4809 |
◊ |
D |
x,y,z |
1_555 |
44 |
12 |
19034 |
321.5 |
-5.3 |
0.075 |
0 |
0 |
0 |
0.075 |
12 |
|
G |
29 |
9 |
4871 |
◊ |
F |
x,y,z |
1_555 |
38 |
11 |
18708 |
295.9 |
-6.6 |
0.101 |
0 |
0 |
0 |
0.075 |
13 |
|
J |
24 |
11 |
4462 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
18969 |
287.5 |
-5.3 |
0.044 |
0 |
0 |
0 |
0.075 |
Average: |
322.7 |
-5.3 |
0.099 |
1 |
1 |
0 |
0.075 |
4 |
14 |
|
[1F7]H:101 |
26 |
1 |
788 |
◊ |
D |
x,y,z |
1_555 |
41 |
15 |
19034 |
342.3 |
-0.3 |
0.504 |
2 |
0 |
0 |
0.016 |
15 |
|
[1F7]J:101 |
25 |
1 |
795 |
◊ |
B |
x,y,z |
1_555 |
40 |
15 |
18732 |
337.3 |
-0.4 |
0.508 |
2 |
0 |
0 |
0.016 |
16 |
|
[1F7]L:101 |
26 |
1 |
786 |
◊ |
A |
x,y,z |
1_555 |
39 |
15 |
18903 |
337.0 |
-0.6 |
0.479 |
2 |
0 |
0 |
0.016 |
17 |
|
[1F7]I:101 |
26 |
1 |
793 |
◊ |
C |
x,y,z |
1_555 |
40 |
15 |
18969 |
334.7 |
-0.2 |
0.507 |
2 |
0 |
0 |
0.016 |
18 |
|
[1F7]G:101 |
25 |
1 |
800 |
◊ |
E |
x,y,z |
1_555 |
38 |
15 |
18970 |
326.6 |
-0.6 |
0.449 |
2 |
0 |
0 |
0.016 |
19 |
|
[1F7]K:101 |
25 |
1 |
776 |
◊ |
F |
x,y,z |
1_555 |
37 |
15 |
18708 |
326.4 |
-0.2 |
0.436 |
2 |
0 |
0 |
0.016 |
Average: |
334.1 |
-0.4 |
0.480 |
2 |
0 |
0 |
0.016 |
5 |
20 |
|
E |
39 |
12 |
18970 |
◊ |
H |
x,y-1,z |
1_545 |
33 |
12 |
4897 |
323.6 |
-3.8 |
0.336 |
0 |
0 |
0 |
0.000 |
6 |
21 |
|
C |
32 |
14 |
18969 |
◊ |
D |
x,y,z-1 |
1_554 |
32 |
11 |
19034 |
291.4 |
1.1 |
0.808 |
3 |
0 |
0 |
0.000 |
7 |
22 |
|
L |
34 |
11 |
4750 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
18903 |
256.9 |
2.3 |
0.817 |
7 |
10 |
0 |
0.040 |
23 |
|
I |
26 |
9 |
4603 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
18969 |
226.7 |
0.7 |
0.702 |
6 |
11 |
0 |
0.040 |
24 |
|
J |
28 |
9 |
4462 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
18732 |
225.3 |
0.4 |
0.691 |
6 |
11 |
0 |
0.040 |
25 |
|
K |
25 |
9 |
4809 |
◊ |
F |
x,y,z |
1_555 |
22 |
7 |
18708 |
222.8 |
2.6 |
0.858 |
7 |
12 |
0 |
0.040 |
Average: |
232.9 |
1.5 |
0.767 |
7 |
11 |
0 |
0.040 |
8 |
26 |
|
A |
29 |
10 |
18903 |
◊ |
C |
x-1,y-1,z |
1_445 |
39 |
10 |
18969 |
247.3 |
-1.5 |
0.543 |
2 |
0 |
0 |
0.000 |
9 |
27 |
|
B |
25 |
7 |
18732 |
◊ |
E |
x,y,z-1 |
1_554 |
22 |
8 |
18970 |
226.3 |
1.0 |
0.818 |
5 |
2 |
0 |
0.000 |
10 |
28 |
|
E |
29 |
11 |
18970 |
◊ |
B |
x,y,z |
1_555 |
19 |
4 |
18732 |
220.3 |
1.0 |
0.818 |
5 |
0 |
0 |
0.000 |
29 |
|
D |
19 |
4 |
19034 |
◊ |
C |
x,y,z |
1_555 |
28 |
10 |
18969 |
210.9 |
0.8 |
0.791 |
5 |
0 |
0 |
0.000 |
Average: |
215.6 |
0.9 |
0.805 |
5 |
0 |
0 |
0.000 |
11 |
30 |
|
A |
20 |
7 |
18903 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
29 |
9 |
19034 |
220.1 |
-0.4 |
0.679 |
0 |
0 |
0 |
0.000 |
12 |
31 |
|
[1F7]L:101 |
24 |
1 |
786 |
◊ |
C |
x,y,z |
1_555 |
29 |
12 |
18969 |
213.0 |
-2.1 |
0.500 |
3 |
0 |
0 |
0.039 |
32 |
|
[1F7]I:101 |
25 |
1 |
793 |
◊ |
B |
x,y,z |
1_555 |
29 |
12 |
18732 |
211.3 |
-1.7 |
0.527 |
3 |
0 |
0 |
0.039 |
33 |
|
[1F7]K:101 |
23 |
1 |
776 |
◊ |
E |
x,y,z |
1_555 |
30 |
13 |
18970 |
209.2 |
-2.0 |
0.513 |
3 |
0 |
0 |
0.039 |
34 |
|
[1F7]H:101 |
25 |
1 |
788 |
◊ |
F |
x,y,z |
1_555 |
29 |
12 |
18708 |
208.0 |
-1.8 |
0.522 |
3 |
0 |
0 |
0.039 |
35 |
|
[1F7]J:101 |
25 |
1 |
795 |
◊ |
A |
x,y,z |
1_555 |
28 |
11 |
18903 |
204.2 |
-1.8 |
0.511 |
3 |
0 |
0 |
0.039 |
36 |
|
[1F7]G:101 |
23 |
1 |
800 |
◊ |
D |
x,y,z |
1_555 |
29 |
12 |
19034 |
194.8 |
-0.9 |
0.557 |
1 |
0 |
0 |
0.039 |
Average: |
206.7 |
-1.7 |
0.521 |
3 |
0 |
0 |
0.039 |
13 |
37 |
|
H |
26 |
9 |
4897 |
◊ |
D |
x,y,z |
1_555 |
19 |
7 |
19034 |
209.7 |
1.3 |
0.780 |
6 |
11 |
0 |
0.013 |
14 |
38 |
|
E |
31 |
11 |
18970 |
◊ |
F |
x-1,y-1,z |
1_445 |
27 |
8 |
18708 |
200.3 |
0.4 |
0.778 |
1 |
1 |
0 |
0.000 |
15 |
39 |
|
G |
30 |
10 |
4871 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
18970 |
199.2 |
2.6 |
0.869 |
7 |
12 |
0 |
0.010 |
16 |
40 |
|
K |
22 |
9 |
4809 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
6 |
19034 |
177.3 |
-0.7 |
0.542 |
2 |
2 |
0 |
0.000 |
17 |
41 |
|
I |
16 |
6 |
4603 |
◊ |
D |
x-1,y,z-1 |
1_454 |
17 |
3 |
19034 |
156.9 |
0.2 |
0.680 |
5 |
3 |
0 |
0.000 |
18 |
42 |
|
B |
17 |
7 |
18732 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
16 |
5 |
18708 |
153.6 |
0.4 |
0.707 |
3 |
0 |
0 |
0.000 |
19 |
43 |
|
A |
12 |
3 |
18903 |
◊ |
D |
x,y,z-1 |
1_554 |
16 |
6 |
19034 |
150.6 |
3.5 |
0.941 |
6 |
0 |
0 |
0.000 |
20 |
44 |
|
F |
17 |
4 |
18708 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
18969 |
145.7 |
-1.2 |
0.570 |
1 |
0 |
0 |
0.000 |
45 |
|
E |
10 |
4 |
18970 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
18903 |
103.6 |
-1.3 |
0.427 |
1 |
0 |
0 |
0.000 |
Average: |
124.6 |
-1.2 |
0.498 |
1 |
0 |
0 |
0.000 |
21 |
46 |
|
B |
16 |
6 |
18732 |
◊ |
F |
x,y,z-1 |
1_554 |
13 |
3 |
18708 |
127.6 |
-0.1 |
0.568 |
1 |
0 |
0 |
0.000 |
22 |
47 |
|
K |
17 |
5 |
4809 |
◊ |
F |
x-1,y,z |
1_455 |
12 |
4 |
18708 |
118.5 |
0.4 |
0.681 |
1 |
0 |
0 |
0.000 |
23 |
48 |
|
C |
10 |
3 |
18969 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
9 |
2 |
19034 |
78.0 |
2.1 |
0.903 |
1 |
2 |
0 |
0.000 |
24 |
49 |
|
I |
11 |
3 |
4603 |
◊ |
C |
x-1,y,z |
1_455 |
12 |
4 |
18969 |
75.2 |
-0.3 |
0.555 |
1 |
0 |
0 |
0.000 |
25 |
50 |
|
[1F7]G:101 |
7 |
1 |
800 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
18708 |
74.6 |
-2.0 |
0.373 |
2 |
0 |
0 |
0.041 |
51 |
|
[1F7]J:101 |
7 |
1 |
795 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
18969 |
71.8 |
-2.3 |
0.342 |
2 |
0 |
0 |
0.041 |
52 |
|
[1F7]K:101 |
7 |
1 |
776 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
19034 |
71.4 |
-2.2 |
0.347 |
2 |
0 |
0 |
0.041 |
53 |
|
[1F7]I:101 |
7 |
1 |
793 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
18903 |
71.0 |
-2.4 |
0.346 |
2 |
0 |
0 |
0.041 |
54 |
|
[1F7]L:101 |
7 |
1 |
786 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
18732 |
70.7 |
-2.3 |
0.347 |
3 |
0 |
0 |
0.041 |
55 |
|
[1F7]H:101 |
7 |
1 |
788 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
18970 |
68.3 |
-2.2 |
0.353 |
2 |
0 |
0 |
0.041 |
Average: |
71.3 |
-2.2 |
0.351 |
2 |
0 |
0 |
0.041 |
26 |
56 |
|
J |
10 |
5 |
4462 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18903 |
69.9 |
0.2 |
0.644 |
1 |
0 |
0 |
0.007 |
57 |
|
H |
8 |
4 |
4897 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
18708 |
54.6 |
-1.0 |
0.353 |
0 |
0 |
0 |
0.007 |
58 |
|
K |
6 |
4 |
4809 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
18970 |
40.3 |
0.0 |
0.516 |
0 |
0 |
0 |
0.007 |
59 |
|
L |
2 |
2 |
4750 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18969 |
25.1 |
-0.7 |
0.204 |
0 |
0 |
0 |
0.007 |
60 |
|
I |
1 |
1 |
4603 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
18732 |
24.8 |
-0.8 |
0.111 |
0 |
0 |
0 |
0.007 |
61 |
|
G |
1 |
1 |
4871 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
19034 |
23.0 |
-0.7 |
0.096 |
0 |
0 |
0 |
0.007 |
Average: |
39.6 |
-0.5 |
0.321 |
0 |
0 |
0 |
0.007 |
27 |
62 |
|
B |
8 |
4 |
18732 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
7 |
2 |
4897 |
66.7 |
0.6 |
0.730 |
1 |
0 |
0 |
0.000 |
28 |
63 |
|
B |
6 |
1 |
18732 |
◊ |
E |
x-1,y-1,z-1 |
1_444 |
8 |
1 |
18970 |
61.9 |
0.3 |
0.715 |
0 |
0 |
0 |
0.000 |
29 |
64 |
|
[1F7]G:101 |
6 |
1 |
800 |
cf |
G |
x,y,z |
1_555 |
7 |
3 |
4871 |
56.0 |
0.5 |
0.619 |
0 |
0 |
0 |
0.000 |
30 |
65 |
|
[1F7]H:101 |
4 |
1 |
788 |
cf |
H |
x,y,z |
1_555 |
5 |
3 |
4897 |
51.0 |
0.4 |
0.601 |
0 |
0 |
0 |
0.000 |
66 |
|
[1F7]J:101 |
5 |
1 |
795 |
cf |
J |
x,y,z |
1_555 |
4 |
2 |
4462 |
47.8 |
0.6 |
0.605 |
0 |
0 |
0 |
0.000 |
Average: |
49.4 |
0.5 |
0.603 |
0 |
0 |
0 |
0.000 |
31 |
67 |
|
[1F7]K:101 |
5 |
1 |
776 |
cf |
K |
x,y,z |
1_555 |
4 |
2 |
4809 |
48.3 |
0.5 |
0.598 |
0 |
0 |
0 |
0.000 |
68 |
|
[1F7]L:101 |
5 |
1 |
786 |
cf |
L |
x,y,z |
1_555 |
4 |
2 |
4750 |
48.2 |
0.5 |
0.591 |
0 |
0 |
0 |
0.000 |
69 |
|
[1F7]I:101 |
5 |
1 |
793 |
cf |
I |
x,y,z |
1_555 |
3 |
1 |
4603 |
47.6 |
0.5 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
48.0 |
0.5 |
0.592 |
0 |
0 |
0 |
0.000 |
32 |
70 |
|
L |
4 |
2 |
4750 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
4809 |
43.5 |
1.2 |
0.881 |
1 |
1 |
0 |
0.000 |
33 |
71 |
|
C |
10 |
3 |
18969 |
x |
C |
x-1,y,z |
1_455 |
7 |
3 |
18969 |
42.3 |
0.0 |
0.685 |
0 |
0 |
0 |
0.000 |
34 |
72 |
|
[CL]A:401 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
18969 |
34.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.057 |
73 |
|
[CL]D:401 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
18970 |
33.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.057 |
74 |
|
[CL]A:401 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18903 |
32.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.057 |
75 |
|
[CL]D:401 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
18708 |
32.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.057 |
76 |
|
[CL]D:401 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
19034 |
32.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.057 |
77 |
|
[CL]A:401 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
18732 |
30.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
32.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.057 |
35 |
78 |
|
K |
4 |
1 |
4809 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
18903 |
31.9 |
-0.3 |
0.499 |
0 |
0 |
0 |
0.000 |
79 |
|
L |
4 |
2 |
4750 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
18708 |
31.6 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
Average: |
31.8 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
36 |
80 |
|
J |
5 |
2 |
4462 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
18903 |
27.8 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
37 |
81 |
|
A |
4 |
2 |
18903 |
◊ |
G |
x,y-1,z-1 |
1_544 |
3 |
2 |
4871 |
26.5 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
38 |
82 |
|
A |
2 |
1 |
18903 |
x |
A |
x,y-1,z |
1_545 |
2 |
1 |
18903 |
23.7 |
1.2 |
0.912 |
1 |
1 |
0 |
0.000 |
39 |
83 |
|
A |
4 |
3 |
18903 |
◊ |
L |
x,y-1,z |
1_545 |
3 |
2 |
4750 |
15.1 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
40 |
84 |
|
C |
2 |
1 |
18969 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
18970 |
14.2 |
1.0 |
0.941 |
0 |
0 |
0 |
0.000 |
41 |
85 |
|
A |
2 |
1 |
18903 |
◊ |
F |
x-1,y-1,z |
1_445 |
1 |
1 |
18708 |
5.7 |
0.1 |
0.743 |
0 |
0 |
0 |
0.000 |
42 |
86 |
|
I |
1 |
1 |
4603 |
◊ |
E |
x-1,y,z-1 |
1_454 |
1 |
1 |
18970 |
3.9 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
43 |
87 |
|
B |
1 |
1 |
18732 |
◊ |
E |
x,y-1,z-1 |
1_544 |
1 |
1 |
18970 |
1.8 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
44 |
88 |
|
A |
1 |
1 |
18903 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
18969 |
1.2 |
0.0 |
0.709 |
0 |
0 |
0 |
0.000 |
|