## |
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 |
110 |
32 |
6477 |
◊ |
A |
x,y,z |
1_555 |
115 |
29 |
6381 |
989.3 |
-11.6 |
0.202 |
22 |
0 |
0 |
0.166 |
2 |
|
D |
116 |
32 |
6315 |
◊ |
C |
x,y,z |
1_555 |
111 |
31 |
6522 |
974.9 |
-11.9 |
0.201 |
21 |
0 |
0 |
0.166 |
Average: |
982.1 |
-11.7 |
0.201 |
22 |
0 |
0 |
0.166 |
2 |
3 |
|
F |
42 |
6 |
1060 |
◊ |
C |
x,y,z |
1_555 |
57 |
17 |
6522 |
490.3 |
-1.3 |
0.392 |
9 |
6 |
0 |
0.054 |
4 |
|
E |
41 |
6 |
1041 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
6381 |
476.7 |
-2.8 |
0.423 |
8 |
6 |
0 |
0.054 |
Average: |
483.5 |
-2.1 |
0.408 |
9 |
6 |
0 |
0.054 |
3 |
5 |
|
D |
45 |
12 |
6315 |
x |
D |
x-y,x,z |
6_555 |
49 |
15 |
6315 |
453.6 |
-0.9 |
0.673 |
8 |
5 |
0 |
0.086 |
6 |
|
B |
46 |
15 |
6477 |
x |
B |
x-y,x,z |
6_555 |
48 |
13 |
6477 |
451.1 |
-1.4 |
0.597 |
8 |
5 |
0 |
0.086 |
7 |
|
A |
40 |
9 |
6381 |
x |
A |
x-y,x,z |
6_555 |
45 |
14 |
6381 |
421.2 |
-1.3 |
0.588 |
10 |
10 |
0 |
0.086 |
8 |
|
C |
46 |
13 |
6522 |
x |
C |
x-y,x,z |
6_555 |
37 |
10 |
6522 |
415.3 |
-1.3 |
0.552 |
8 |
6 |
0 |
0.086 |
Average: |
435.3 |
-1.2 |
0.603 |
9 |
7 |
0 |
0.086 |
4 |
9 |
|
D |
28 |
7 |
6315 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
6477 |
298.8 |
3.8 |
0.933 |
4 |
0 |
0 |
0.000 |
5 |
10 |
|
A |
30 |
8 |
6381 |
x |
A |
-y-1,x-y,z |
2_455 |
31 |
8 |
6381 |
287.9 |
-3.2 |
0.374 |
6 |
0 |
0 |
0.038 |
11 |
|
D |
28 |
8 |
6315 |
x |
D |
-y-1,x-y,z |
2_455 |
26 |
7 |
6315 |
260.6 |
-2.6 |
0.434 |
6 |
0 |
0 |
0.038 |
Average: |
274.3 |
-2.9 |
0.404 |
6 |
0 |
0 |
0.038 |
6 |
12 |
|
A |
19 |
8 |
6381 |
◊ |
C |
x,y,z-1 |
1_554 |
18 |
7 |
6522 |
194.0 |
1.5 |
0.819 |
2 |
1 |
0 |
0.000 |
7 |
13 |
|
D |
20 |
6 |
6315 |
◊ |
B |
x-y,x,z |
6_555 |
21 |
7 |
6477 |
185.3 |
1.5 |
0.832 |
4 |
8 |
0 |
0.000 |
8 |
14 |
|
A |
21 |
7 |
6381 |
◊ |
B |
x-y,x,z |
6_555 |
25 |
6 |
6477 |
169.8 |
2.6 |
0.880 |
4 |
0 |
0 |
0.000 |
15 |
|
D |
20 |
5 |
6315 |
◊ |
C |
x-y,x,z |
6_555 |
17 |
4 |
6522 |
146.4 |
3.2 |
0.933 |
4 |
0 |
0 |
0.000 |
Average: |
158.1 |
2.9 |
0.906 |
4 |
0 |
0 |
0.000 |
9 |
16 |
|
C |
14 |
4 |
6522 |
◊ |
C |
-x-1,-y-1,z |
4_445 |
14 |
4 |
6522 |
147.6 |
0.8 |
0.748 |
4 |
0 |
0 |
0.000 |
10 |
17 |
|
B |
15 |
4 |
6477 |
x |
B |
-y-1,x-y,z |
2_455 |
14 |
5 |
6477 |
134.9 |
-1.1 |
0.464 |
0 |
0 |
0 |
0.013 |
18 |
|
C |
14 |
4 |
6522 |
x |
C |
-y-1,x-y,z |
2_455 |
14 |
5 |
6522 |
132.6 |
-1.7 |
0.366 |
0 |
0 |
0 |
0.013 |
Average: |
133.7 |
-1.4 |
0.415 |
0 |
0 |
0 |
0.013 |
11 |
19 |
|
[GOL]A:2005 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
6381 |
126.7 |
-1.7 |
0.355 |
3 |
0 |
0 |
0.022 |
12 |
20 |
|
[GOL]D:1204 |
6 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
24 |
12 |
6315 |
120.0 |
-1.7 |
0.404 |
3 |
0 |
0 |
0.023 |
13 |
21 |
|
C |
10 |
3 |
6522 |
◊ |
D |
x-y,x,z |
6_555 |
10 |
2 |
6315 |
92.6 |
-0.4 |
0.577 |
2 |
0 |
0 |
0.009 |
22 |
|
B |
8 |
2 |
6477 |
◊ |
A |
x-y,x,z |
6_555 |
10 |
3 |
6381 |
85.8 |
-0.9 |
0.451 |
1 |
0 |
0 |
0.009 |
Average: |
89.2 |
-0.7 |
0.514 |
2 |
0 |
0 |
0.009 |
14 |
23 |
|
[GOL]C:2005 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
6522 |
88.9 |
-0.4 |
0.584 |
5 |
0 |
0 |
0.020 |
15 |
24 |
|
[GOL]D:1203 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
6315 |
82.5 |
0.3 |
0.669 |
5 |
0 |
0 |
0.015 |
16 |
25 |
|
A |
9 |
4 |
6381 |
◊ |
B |
-y-1,x-y,z |
2_455 |
10 |
6 |
6477 |
80.4 |
-0.7 |
0.477 |
0 |
0 |
0 |
0.005 |
26 |
|
D |
8 |
3 |
6315 |
◊ |
C |
-y-1,x-y,z |
2_455 |
8 |
5 |
6522 |
67.2 |
-0.7 |
0.433 |
0 |
0 |
0 |
0.005 |
Average: |
73.8 |
-0.7 |
0.455 |
0 |
0 |
0 |
0.005 |
17 |
27 |
|
[UNX]B:1203 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
6477 |
72.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.035 |
18 |
28 |
|
[GOL]D:1204 |
6 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
6522 |
65.5 |
-0.9 |
0.409 |
1 |
0 |
0 |
0.011 |
19 |
29 |
|
[GOL]A:2005 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
6477 |
65.3 |
-0.9 |
0.320 |
1 |
0 |
0 |
0.010 |
20 |
30 |
|
[GOL]C:2006 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
6522 |
64.4 |
0.3 |
0.607 |
3 |
0 |
0 |
0.008 |
21 |
31 |
|
[UNX]A:2006 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
6381 |
62.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.028 |
22 |
32 |
|
[UNX]B:1204 |
1 |
1 |
129 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
6477 |
62.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.034 |
33 |
|
[UNX]C:2007 |
1 |
1 |
129 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
6522 |
61.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.034 |
Average: |
62.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.034 |
23 |
34 |
|
[UNX]A:2007 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6381 |
59.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.028 |
24 |
35 |
|
[GOL]D:1203 |
4 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
6522 |
54.9 |
0.3 |
0.665 |
1 |
0 |
0 |
0.000 |
25 |
36 |
|
A |
4 |
2 |
6381 |
◊ |
C |
x-y,x,z-1 |
6_554 |
4 |
2 |
6522 |
54.6 |
-0.9 |
0.317 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
C |
6 |
3 |
6522 |
◊ |
[GOL]C:2006 |
x-y,x,z |
6_555 |
4 |
1 |
221 |
54.5 |
-0.5 |
0.405 |
1 |
0 |
0 |
0.006 |
27 |
38 |
|
[GOL]D:1203 |
4 |
1 |
221 |
◊ |
C |
-y-1,x-y,z |
2_455 |
4 |
2 |
6522 |
44.7 |
-0.9 |
0.278 |
0 |
0 |
0 |
0.007 |
28 |
39 |
|
[UNX]E:1601 |
1 |
1 |
129 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6381 |
43.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.019 |
29 |
40 |
|
[UNX]E:1601 |
1 |
1 |
129 |
◊ |
C |
x,y,z-1 |
1_554 |
5 |
2 |
6522 |
41.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
[UNX]C:2007 |
1 |
1 |
129 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
6315 |
37.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.018 |
42 |
|
[UNX]B:1204 |
1 |
1 |
129 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
6381 |
35.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
36.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.018 |
31 |
43 |
|
[UNX]D:1205 |
1 |
1 |
129 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
6315 |
36.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.017 |
44 |
|
[UNX]A:2006 |
1 |
1 |
129 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6477 |
25.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
31.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.017 |
32 |
45 |
|
[GOL]C:2005 |
4 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
6315 |
36.4 |
0.6 |
0.753 |
1 |
0 |
0 |
0.000 |
33 |
46 |
|
[GOL]C:2006 |
4 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
6315 |
36.4 |
0.4 |
0.680 |
1 |
0 |
0 |
0.000 |
34 |
47 |
|
[ZN]C:2001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
6522 |
35.3 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.398 |
48 |
|
[ZN]A:2008 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
6477 |
34.6 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.398 |
49 |
|
[ZN]A:2001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6381 |
34.3 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.398 |
50 |
|
[ZN]C:2008 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
6315 |
33.8 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.398 |
Average: |
34.5 |
-25.3 |
0.000 |
0 |
0 |
0 |
0.398 |
35 |
51 |
|
[ZN]A:2004 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
6477 |
33.0 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.230 |
52 |
|
[ZN]A:2004 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
6381 |
32.7 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.230 |
53 |
|
[ZN]C:2004 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
6522 |
32.1 |
-19.2 |
0.000 |
0 |
0 |
0 |
0.230 |
54 |
|
[ZN]C:2004 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
6315 |
31.7 |
-19.5 |
0.000 |
0 |
0 |
0 |
0.230 |
Average: |
32.4 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.230 |
36 |
55 |
|
D |
6 |
1 |
6315 |
◊ |
[GOL]C:2006 |
x-y,x,z |
6_555 |
2 |
1 |
221 |
32.6 |
-0.3 |
0.501 |
0 |
0 |
0 |
0.002 |
37 |
56 |
|
[UNX]E:1601 |
1 |
1 |
129 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
1041 |
31.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
38 |
57 |
|
[GOL]C:2005 |
2 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
1060 |
30.3 |
-0.5 |
0.450 |
0 |
0 |
0 |
0.004 |
39 |
58 |
|
[UNX]A:2006 |
1 |
1 |
129 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
1041 |
30.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
40 |
59 |
|
[UNX]D:1205 |
1 |
1 |
129 |
◊ |
[GOL]C:2005 |
x,y,z |
1_555 |
4 |
1 |
218 |
30.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.017 |
60 |
|
[UNX]D:1205 |
1 |
1 |
129 |
◊ |
[GOL]D:1203 |
x,y,z |
1_555 |
3 |
1 |
221 |
9.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.017 |
Average: |
19.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.017 |
41 |
61 |
|
A |
3 |
1 |
6381 |
◊ |
[UNX]A:2007 |
x-y,x,z |
6_555 |
1 |
1 |
129 |
28.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.007 |
42 |
62 |
|
B |
2 |
2 |
6477 |
◊ |
B |
-x-1,-y-1,z |
4_445 |
2 |
2 |
6477 |
27.0 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
43 |
63 |
|
[ZN]A:2001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
6477 |
26.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.190 |
64 |
|
[ZN]C:2008 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
6522 |
26.6 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.190 |
65 |
|
[ZN]A:2008 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
6381 |
26.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.190 |
66 |
|
[ZN]C:2001 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
6315 |
26.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.190 |
Average: |
26.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.190 |
44 |
67 |
|
[GOL]C:2006 |
5 |
1 |
221 |
f |
[GOL]C:2005 |
x,y,z |
1_555 |
3 |
1 |
218 |
25.2 |
0.2 |
0.542 |
1 |
0 |
0 |
0.002 |
45 |
68 |
|
[UNX]D:1205 |
1 |
1 |
129 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
1060 |
22.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.100 |
46 |
69 |
|
E |
1 |
1 |
1041 |
◊ |
C |
x,y,z-1 |
1_554 |
3 |
2 |
6522 |
20.7 |
0.6 |
0.805 |
0 |
0 |
0 |
0.000 |
70 |
|
A |
1 |
1 |
6381 |
◊ |
F |
x,y,z-1 |
1_554 |
1 |
1 |
1060 |
13.0 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
Average: |
16.9 |
0.6 |
0.812 |
0 |
0 |
0 |
0.000 |
47 |
71 |
|
B |
4 |
3 |
6477 |
◊ |
A |
-y-1,x-y,z |
2_455 |
3 |
2 |
6381 |
17.5 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.002 |
72 |
|
C |
4 |
3 |
6522 |
◊ |
D |
-y-1,x-y,z |
2_455 |
3 |
2 |
6315 |
16.9 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.002 |
Average: |
17.2 |
-0.3 |
0.465 |
0 |
0 |
0 |
0.002 |
48 |
73 |
|
[UNX]D:1205 |
1 |
1 |
129 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6522 |
12.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
49 |
74 |
|
[UNX]E:1601 |
1 |
1 |
129 |
◊ |
C |
x-y,x,z-1 |
6_554 |
2 |
2 |
6522 |
11.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
75 |
|
B |
1 |
1 |
6477 |
◊ |
[UNX]B:1203 |
x-y,x,z |
6_555 |
1 |
1 |
129 |
8.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
51 |
76 |
|
D |
2 |
1 |
6315 |
◊ |
C |
-x-1,-y-1,z |
4_445 |
1 |
1 |
6522 |
7.8 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
52 |
77 |
|
[UNX]D:1205 |
1 |
1 |
129 |
◊ |
[GOL]C:2006 |
x,y,z |
1_555 |
1 |
1 |
221 |
6.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
53 |
78 |
|
E |
2 |
1 |
1041 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6477 |
5.6 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
79 |
|
F |
2 |
1 |
1060 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6315 |
3.7 |
-0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
54 |
80 |
|
A |
2 |
2 |
6381 |
◊ |
A |
-x-1,-y-1,z |
4_445 |
2 |
2 |
6381 |
4.9 |
-0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
55 |
81 |
|
[GOL]D:1204 |
1 |
1 |
214 |
f |
[ZN]C:2008 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.012 |
56 |
82 |
|
[GOL]D:1204 |
2 |
1 |
214 |
◊ |
[ZN]C:2004 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.009 |
57 |
83 |
|
[GOL]A:2005 |
1 |
1 |
218 |
f |
[ZN]A:2001 |
x,y,z |
1_555 |
1 |
1 |
98 |
4.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.010 |
58 |
84 |
|
[GOL]D:1203 |
1 |
1 |
221 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
1060 |
3.0 |
-0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
59 |
85 |
|
[GOL]D:1203 |
1 |
1 |
221 |
◊ |
D |
-y-1,x-y,z |
2_455 |
1 |
1 |
6315 |
2.5 |
-0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
60 |
86 |
|
[UNX]B:1204 |
1 |
1 |
129 |
f |
[ZN]A:2008 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.006 |
61 |
87 |
|
[GOL]A:2005 |
2 |
1 |
218 |
◊ |
[ZN]A:2004 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
62 |
88 |
|
C |
1 |
1 |
6522 |
◊ |
[GOL]D:1203 |
x-y,x,z |
6_555 |
1 |
1 |
221 |
1.1 |
-0.0 |
0.516 |
0 |
0 |
0 |
0.000 |
63 |
89 |
|
[UNX]C:2007 |
1 |
1 |
129 |
f |
[ZN]C:2001 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
|