## |
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 |
283 |
78 |
30274 |
◊ |
C |
x,y,z |
1_555 |
281 |
77 |
30364 |
2538.8 |
-0.1 |
0.701 |
32 |
6 |
0 |
0.054 |
2 |
|
G |
274 |
77 |
30223 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
279 |
78 |
30256 |
2464.8 |
-1.2 |
0.645 |
29 |
9 |
0 |
0.054 |
Average: |
2501.8 |
-0.6 |
0.673 |
31 |
8 |
0 |
0.054 |
2 |
3 |
|
F |
228 |
58 |
6932 |
◊ |
E |
x,y,z |
1_555 |
249 |
66 |
30274 |
2304.7 |
-10.0 |
0.337 |
48 |
9 |
0 |
0.264 |
4 |
|
B |
225 |
58 |
6944 |
◊ |
A |
x,y,z |
1_555 |
246 |
67 |
30256 |
2303.0 |
-12.4 |
0.240 |
48 |
8 |
0 |
0.264 |
5 |
|
H |
219 |
56 |
6970 |
◊ |
G |
x,y,z |
1_555 |
243 |
64 |
30223 |
2271.7 |
-12.7 |
0.225 |
47 |
9 |
0 |
0.264 |
6 |
|
D |
227 |
57 |
7050 |
◊ |
C |
x,y,z |
1_555 |
238 |
65 |
30364 |
2263.2 |
-12.6 |
0.196 |
44 |
8 |
0 |
0.264 |
Average: |
2285.6 |
-11.9 |
0.250 |
47 |
9 |
0 |
0.264 |
3 |
7 |
|
C |
96 |
30 |
30364 |
◊ |
C |
-x,-y-1,z |
2_545 |
98 |
30 |
30364 |
912.5 |
-3.0 |
0.416 |
10 |
0 |
0 |
0.000 |
4 |
8 |
|
[MGD]C:2001 |
47 |
1 |
910 |
f |
C |
x,y,z |
1_555 |
99 |
37 |
30364 |
584.7 |
-11.6 |
0.364 |
17 |
0 |
0 |
0.146 |
9 |
|
[MGD]E:2001 |
46 |
1 |
905 |
f |
E |
x,y,z |
1_555 |
99 |
37 |
30274 |
583.2 |
-11.6 |
0.359 |
17 |
0 |
0 |
0.146 |
10 |
|
[MGD]G:2001 |
46 |
1 |
907 |
f |
G |
x,y,z |
1_555 |
101 |
37 |
30223 |
581.8 |
-11.4 |
0.369 |
17 |
0 |
0 |
0.146 |
11 |
|
[MGD]A:2001 |
46 |
1 |
908 |
f |
A |
x,y,z |
1_555 |
98 |
38 |
30256 |
580.3 |
-10.7 |
0.427 |
17 |
0 |
0 |
0.146 |
Average: |
582.5 |
-11.3 |
0.380 |
17 |
0 |
0 |
0.146 |
5 |
12 |
|
[MGD]C:2002 |
46 |
1 |
910 |
f |
C |
x,y,z |
1_555 |
93 |
38 |
30364 |
552.9 |
-10.3 |
0.515 |
24 |
0 |
0 |
0.160 |
13 |
|
[MGD]A:2002 |
46 |
1 |
908 |
f |
A |
x,y,z |
1_555 |
90 |
40 |
30256 |
552.0 |
-10.2 |
0.491 |
24 |
0 |
0 |
0.160 |
14 |
|
[MGD]E:2002 |
47 |
1 |
908 |
f |
E |
x,y,z |
1_555 |
92 |
38 |
30274 |
551.8 |
-10.0 |
0.496 |
24 |
0 |
0 |
0.160 |
15 |
|
[MGD]G:2002 |
46 |
1 |
905 |
f |
G |
x,y,z |
1_555 |
92 |
39 |
30223 |
549.9 |
-10.2 |
0.497 |
25 |
0 |
0 |
0.160 |
Average: |
551.6 |
-10.1 |
0.500 |
24 |
0 |
0 |
0.160 |
6 |
16 |
|
G |
46 |
21 |
30223 |
◊ |
C |
x,y,z |
1_555 |
50 |
22 |
30364 |
517.2 |
0.9 |
0.691 |
6 |
0 |
0 |
0.000 |
17 |
|
E |
49 |
21 |
30274 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
49 |
22 |
30256 |
497.1 |
0.7 |
0.667 |
6 |
0 |
0 |
0.000 |
Average: |
507.2 |
0.8 |
0.679 |
6 |
0 |
0 |
0.000 |
7 |
18 |
|
C |
39 |
13 |
30364 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
39 |
12 |
30256 |
342.0 |
-1.8 |
0.374 |
1 |
0 |
0 |
0.000 |
19 |
|
G |
36 |
13 |
30223 |
◊ |
E |
x,y,z |
1_555 |
35 |
13 |
30274 |
287.5 |
-2.4 |
0.297 |
0 |
0 |
0 |
0.000 |
Average: |
314.7 |
-2.1 |
0.336 |
1 |
0 |
0 |
0.000 |
8 |
20 |
|
A |
35 |
12 |
30256 |
x |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
33 |
10 |
30256 |
303.5 |
-0.8 |
0.484 |
3 |
2 |
0 |
0.000 |
9 |
21 |
|
G |
33 |
8 |
30223 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
35 |
11 |
6944 |
283.0 |
0.4 |
0.578 |
6 |
1 |
0 |
0.010 |
22 |
|
F |
34 |
11 |
6932 |
◊ |
C |
x,y,z |
1_555 |
31 |
8 |
30364 |
278.6 |
0.1 |
0.534 |
5 |
1 |
0 |
0.010 |
23 |
|
H |
33 |
11 |
6970 |
◊ |
A |
x-1/2,-y-1/2,-z+1 |
4_446 |
28 |
11 |
30256 |
265.3 |
1.3 |
0.683 |
3 |
1 |
0 |
0.010 |
24 |
|
D |
29 |
11 |
7050 |
◊ |
E |
x,y,z |
1_555 |
26 |
7 |
30274 |
263.9 |
1.3 |
0.637 |
4 |
1 |
0 |
0.010 |
Average: |
272.7 |
0.8 |
0.608 |
5 |
1 |
0 |
0.010 |
10 |
25 |
|
E |
20 |
8 |
30274 |
◊ |
G |
x,y,z-1 |
1_554 |
28 |
12 |
30223 |
204.0 |
-2.2 |
0.247 |
1 |
0 |
0 |
0.000 |
11 |
26 |
|
[F3S]E:2005 |
7 |
1 |
299 |
f |
E |
x,y,z |
1_555 |
27 |
12 |
30274 |
174.9 |
-19.2 |
0.249 |
5 |
0 |
0 |
0.163 |
27 |
|
[F3S]C:2005 |
7 |
1 |
299 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
30364 |
174.1 |
-19.2 |
0.201 |
4 |
0 |
0 |
0.163 |
28 |
|
[F3S]A:2005 |
7 |
1 |
300 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
30256 |
173.7 |
-19.2 |
0.201 |
5 |
0 |
0 |
0.163 |
29 |
|
[F3S]G:2005 |
7 |
1 |
300 |
f |
G |
x,y,z |
1_555 |
26 |
12 |
30223 |
173.3 |
-18.9 |
0.254 |
6 |
0 |
0 |
0.163 |
Average: |
174.0 |
-19.1 |
0.226 |
5 |
0 |
0 |
0.163 |
12 |
30 |
|
G |
13 |
4 |
30223 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
16 |
5 |
30256 |
154.1 |
-3.1 |
0.045 |
0 |
0 |
0 |
0.000 |
13 |
31 |
|
E |
13 |
6 |
30274 |
◊ |
C |
-x-1,-y-1,z |
2_445 |
18 |
7 |
30364 |
152.3 |
-1.0 |
0.318 |
1 |
2 |
0 |
0.000 |
14 |
32 |
|
C |
17 |
8 |
30364 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
30256 |
138.0 |
-0.5 |
0.494 |
0 |
0 |
0 |
0.000 |
15 |
33 |
|
[FES]B:2006 |
4 |
1 |
239 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
6944 |
120.9 |
-16.5 |
0.616 |
2 |
0 |
0 |
0.133 |
34 |
|
[FES]D:2006 |
4 |
1 |
237 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
7050 |
120.8 |
-16.5 |
0.623 |
2 |
0 |
0 |
0.133 |
35 |
|
[FES]F:2006 |
4 |
1 |
237 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
6932 |
120.0 |
-16.3 |
0.630 |
2 |
0 |
0 |
0.133 |
36 |
|
[FES]H:2006 |
4 |
1 |
237 |
f |
H |
x,y,z |
1_555 |
14 |
8 |
6970 |
119.7 |
-16.3 |
0.623 |
2 |
0 |
0 |
0.133 |
Average: |
120.4 |
-16.4 |
0.623 |
2 |
0 |
0 |
0.133 |
16 |
37 |
|
G |
14 |
4 |
30223 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
30256 |
108.0 |
-1.0 |
0.380 |
1 |
0 |
0 |
0.000 |
17 |
38 |
|
D |
10 |
6 |
7050 |
◊ |
E |
-x-1,-y-1,z |
2_445 |
13 |
7 |
30274 |
86.1 |
0.6 |
0.685 |
0 |
0 |
0 |
0.000 |
18 |
39 |
|
[4MO]A:2004 |
1 |
1 |
163 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
30256 |
65.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.026 |
40 |
|
[4MO]C:2004 |
1 |
1 |
163 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
30364 |
65.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.026 |
41 |
|
[4MO]E:2004 |
1 |
1 |
163 |
f |
E |
x,y,z |
1_555 |
19 |
10 |
30274 |
64.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.026 |
42 |
|
[4MO]G:2004 |
1 |
1 |
163 |
f |
G |
x,y,z |
1_555 |
19 |
10 |
30223 |
64.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
65.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.026 |
19 |
43 |
|
[MGD]C:2002 |
4 |
1 |
910 |
f |
[MGD]C:2001 |
x,y,z |
1_555 |
3 |
1 |
910 |
62.0 |
-5.4 |
0.096 |
2 |
0 |
0 |
0.048 |
44 |
|
[MGD]E:2002 |
3 |
1 |
908 |
f |
[MGD]E:2001 |
x,y,z |
1_555 |
3 |
1 |
905 |
60.8 |
-5.3 |
0.077 |
2 |
0 |
0 |
0.048 |
45 |
|
[MGD]G:2002 |
3 |
1 |
905 |
f |
[MGD]G:2001 |
x,y,z |
1_555 |
3 |
1 |
907 |
60.4 |
-5.3 |
0.079 |
2 |
0 |
0 |
0.048 |
46 |
|
[MGD]A:2002 |
3 |
1 |
908 |
f |
[MGD]A:2001 |
x,y,z |
1_555 |
4 |
1 |
908 |
60.3 |
-5.3 |
0.099 |
2 |
0 |
0 |
0.048 |
Average: |
60.9 |
-5.3 |
0.088 |
2 |
0 |
0 |
0.048 |
20 |
47 |
|
E |
9 |
4 |
30274 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
30256 |
57.2 |
1.3 |
0.851 |
1 |
4 |
0 |
0.000 |
21 |
48 |
|
F |
7 |
2 |
6932 |
◊ |
G |
x,y,z-1 |
1_554 |
6 |
2 |
30223 |
51.7 |
0.5 |
0.710 |
0 |
0 |
0 |
0.000 |
22 |
49 |
|
[4MO]G:2004 |
1 |
1 |
163 |
f |
[MGD]G:2001 |
x,y,z |
1_555 |
2 |
1 |
907 |
42.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.057 |
50 |
|
[4MO]E:2004 |
1 |
1 |
163 |
f |
[MGD]E:2002 |
x,y,z |
1_555 |
2 |
1 |
908 |
41.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
51 |
|
[4MO]E:2004 |
1 |
1 |
163 |
f |
[MGD]E:2001 |
x,y,z |
1_555 |
2 |
1 |
905 |
41.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
52 |
|
[4MO]C:2004 |
1 |
1 |
163 |
f |
[MGD]C:2001 |
x,y,z |
1_555 |
2 |
1 |
910 |
41.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
53 |
|
[4MO]A:2004 |
1 |
1 |
163 |
f |
[MGD]A:2001 |
x,y,z |
1_555 |
2 |
1 |
908 |
41.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
54 |
|
[4MO]C:2004 |
1 |
1 |
163 |
f |
[MGD]C:2002 |
x,y,z |
1_555 |
3 |
1 |
910 |
41.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
55 |
|
[4MO]A:2004 |
1 |
1 |
163 |
f |
[MGD]A:2002 |
x,y,z |
1_555 |
2 |
1 |
908 |
41.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
56 |
|
[4MO]G:2004 |
1 |
1 |
163 |
f |
[MGD]G:2002 |
x,y,z |
1_555 |
2 |
1 |
905 |
41.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
41.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
23 |
57 |
|
F |
9 |
4 |
6932 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
7050 |
38.5 |
-0.3 |
0.473 |
0 |
0 |
0 |
0.000 |
58 |
|
H |
2 |
2 |
6970 |
◊ |
B |
x-1/2,-y-1/2,-z+1 |
4_446 |
4 |
3 |
6944 |
7.1 |
0.1 |
0.645 |
0 |
0 |
0 |
0.000 |
Average: |
22.8 |
-0.1 |
0.559 |
0 |
0 |
0 |
0.001 |
24 |
59 |
|
E |
5 |
1 |
30274 |
◊ |
E |
-x-1,-y-1,z |
2_445 |
5 |
1 |
30274 |
36.9 |
-0.5 |
0.354 |
0 |
0 |
0 |
0.000 |
25 |
60 |
|
[O]E:2003 |
1 |
1 |
99 |
f |
E |
x,y,z |
1_555 |
15 |
10 |
30274 |
33.5 |
-0.3 |
0.561 |
0 |
0 |
0 |
0.002 |
61 |
|
[O]A:2003 |
1 |
1 |
99 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
30256 |
33.2 |
0.7 |
0.863 |
0 |
0 |
0 |
0.002 |
62 |
|
[O]G:2003 |
1 |
1 |
99 |
f |
G |
x,y,z |
1_555 |
12 |
8 |
30223 |
32.6 |
-0.3 |
0.533 |
0 |
0 |
0 |
0.002 |
63 |
|
[O]C:2003 |
1 |
1 |
99 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
30364 |
32.0 |
0.7 |
0.871 |
0 |
0 |
0 |
0.002 |
Average: |
32.8 |
0.2 |
0.707 |
0 |
0 |
0 |
0.002 |
26 |
64 |
|
[O]C:2003 |
1 |
1 |
99 |
f |
[MGD]C:2001 |
x,y,z |
1_555 |
3 |
1 |
910 |
21.6 |
-0.7 |
0.612 |
0 |
0 |
0 |
0.012 |
65 |
|
[O]G:2003 |
1 |
1 |
99 |
f |
[MGD]G:2001 |
x,y,z |
1_555 |
2 |
1 |
907 |
20.9 |
-0.8 |
0.528 |
0 |
0 |
0 |
0.012 |
66 |
|
[O]E:2003 |
1 |
1 |
99 |
f |
[MGD]E:2001 |
x,y,z |
1_555 |
2 |
1 |
905 |
20.5 |
-0.8 |
0.536 |
0 |
0 |
0 |
0.012 |
67 |
|
[O]E:2003 |
1 |
1 |
99 |
f |
[MGD]E:2002 |
x,y,z |
1_555 |
2 |
1 |
908 |
20.3 |
-0.8 |
0.545 |
0 |
0 |
0 |
0.012 |
68 |
|
[O]A:2003 |
1 |
1 |
99 |
f |
[MGD]A:2001 |
x,y,z |
1_555 |
2 |
1 |
908 |
20.2 |
-0.8 |
0.536 |
0 |
0 |
0 |
0.012 |
69 |
|
[O]A:2003 |
1 |
1 |
99 |
f |
[MGD]A:2002 |
x,y,z |
1_555 |
2 |
1 |
908 |
18.9 |
-0.7 |
0.557 |
0 |
0 |
0 |
0.012 |
70 |
|
[O]G:2003 |
1 |
1 |
99 |
f |
[MGD]G:2002 |
x,y,z |
1_555 |
2 |
1 |
905 |
18.9 |
-0.7 |
0.558 |
0 |
0 |
0 |
0.012 |
71 |
|
[O]C:2003 |
1 |
1 |
99 |
f |
[MGD]C:2002 |
x,y,z |
1_555 |
2 |
1 |
910 |
18.2 |
-0.7 |
0.562 |
0 |
0 |
0 |
0.012 |
Average: |
20.0 |
-0.7 |
0.554 |
0 |
0 |
0 |
0.012 |
27 |
72 |
|
[4MO]A:2004 |
1 |
1 |
163 |
f |
[O]A:2003 |
x,y,z |
1_555 |
1 |
1 |
99 |
20.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
28 |
73 |
|
[4MO]G:2004 |
1 |
1 |
163 |
f |
[O]G:2003 |
x,y,z |
1_555 |
1 |
1 |
99 |
19.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
29 |
74 |
|
[4MO]C:2004 |
1 |
1 |
163 |
f |
[O]C:2003 |
x,y,z |
1_555 |
1 |
1 |
99 |
19.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
30 |
75 |
|
[4MO]E:2004 |
1 |
1 |
163 |
f |
[O]E:2003 |
x,y,z |
1_555 |
1 |
1 |
99 |
19.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.003 |
31 |
76 |
|
[FES]F:2006 |
1 |
1 |
237 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
30274 |
10.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
77 |
|
[FES]B:2006 |
1 |
1 |
239 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
30256 |
9.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
78 |
|
[FES]H:2006 |
1 |
1 |
237 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
30223 |
9.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
79 |
|
[FES]D:2006 |
1 |
1 |
237 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
30364 |
8.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
9.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
32 |
80 |
|
E |
1 |
1 |
30274 |
◊ |
H |
x,y,z-1 |
1_554 |
1 |
1 |
6970 |
2.3 |
0.1 |
0.745 |
0 |
0 |
0 |
0.000 |
33 |
81 |
|
G |
1 |
1 |
30223 |
◊ |
G |
-x,-y-1,z |
2_545 |
1 |
1 |
30223 |
2.3 |
0.1 |
0.766 |
0 |
0 |
0 |
0.000 |
34 |
82 |
|
[F3S]G:2005 |
1 |
1 |
300 |
f |
[MGD]G:2002 |
x,y,z |
1_555 |
1 |
1 |
905 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
|
[F3S]A:2005 |
1 |
1 |
300 |
f |
[MGD]A:2002 |
x,y,z |
1_555 |
1 |
1 |
908 |
0.9 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
|
[F3S]E:2005 |
1 |
1 |
299 |
f |
[MGD]E:2002 |
x,y,z |
1_555 |
1 |
1 |
908 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
0.8 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
85 |
|
F |
1 |
1 |
6932 |
◊ |
H |
x,y,z-1 |
1_554 |
1 |
1 |
6970 |
1.0 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
|