## |
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 |
|
C |
93 |
29 |
29564 |
◊ |
A |
x,y,z |
1_555 |
96 |
29 |
29553 |
855.7 |
1.0 |
0.676 |
8 |
14 |
0 |
0.000 |
2 |
2 |
|
D |
69 |
21 |
5346 |
◊ |
C |
x,y,z |
1_555 |
83 |
20 |
29564 |
706.3 |
6.1 |
0.871 |
14 |
16 |
0 |
0.000 |
3 |
|
B |
68 |
21 |
5272 |
◊ |
A |
x,y,z |
1_555 |
80 |
19 |
29553 |
699.0 |
6.2 |
0.876 |
12 |
16 |
0 |
0.000 |
Average: |
702.6 |
6.1 |
0.874 |
13 |
16 |
0 |
0.000 |
3 |
4 |
|
[XD3]A:1017 |
20 |
1 |
452 |
f |
A |
x,y,z |
1_555 |
48 |
20 |
29553 |
310.8 |
6.1 |
0.493 |
3 |
0 |
0 |
0.000 |
5 |
|
[XD3]C:1001 |
20 |
1 |
452 |
f |
C |
x,y,z |
1_555 |
48 |
20 |
29564 |
310.5 |
6.0 |
0.489 |
3 |
0 |
0 |
0.000 |
Average: |
310.7 |
6.0 |
0.491 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
34 |
10 |
29564 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
44 |
16 |
29553 |
303.5 |
-3.8 |
0.159 |
1 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
30 |
8 |
29553 |
◊ |
C |
x-1/2,-y-1/2,-z |
4_445 |
29 |
10 |
29564 |
282.7 |
-3.0 |
0.181 |
0 |
0 |
0 |
0.000 |
6 |
8 |
|
A |
32 |
9 |
29553 |
◊ |
D |
x,y,z-1 |
1_554 |
35 |
9 |
5346 |
276.6 |
-2.7 |
0.378 |
0 |
0 |
0 |
0.000 |
9 |
|
B |
36 |
9 |
5272 |
◊ |
C |
x,y,z-1 |
1_554 |
31 |
9 |
29564 |
265.9 |
-3.0 |
0.353 |
1 |
0 |
0 |
0.000 |
Average: |
271.3 |
-2.8 |
0.366 |
1 |
0 |
0 |
0.000 |
7 |
10 |
|
[NAG]C:1002 |
12 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
29 |
9 |
29564 |
170.8 |
4.2 |
0.421 |
2 |
0 |
0 |
0.000 |
11 |
|
[NAG]A:1001 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
28 |
9 |
29553 |
169.8 |
4.2 |
0.432 |
2 |
0 |
0 |
0.000 |
Average: |
170.3 |
4.2 |
0.427 |
2 |
0 |
0 |
0.000 |
8 |
12 |
|
C |
14 |
7 |
29564 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
16 |
6 |
29553 |
137.9 |
0.4 |
0.604 |
0 |
0 |
0 |
0.000 |
9 |
13 |
|
[FMT]C:1011 |
3 |
1 |
152 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
29564 |
97.3 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
14 |
|
[FMT]A:1010 |
3 |
1 |
152 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
29553 |
96.8 |
-0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
Average: |
97.0 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[FMT]A:1007 |
3 |
1 |
150 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
29553 |
96.4 |
0.3 |
0.621 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[FMT]C:1008 |
3 |
1 |
151 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
29564 |
95.9 |
0.2 |
0.615 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[FMT]A:1011 |
3 |
1 |
151 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
29553 |
92.0 |
0.3 |
0.642 |
0 |
0 |
0 |
0.000 |
18 |
|
[FMT]C:1012 |
3 |
1 |
152 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
29564 |
91.7 |
0.3 |
0.646 |
0 |
0 |
0 |
0.000 |
Average: |
91.9 |
0.3 |
0.644 |
0 |
0 |
0 |
0.000 |
13 |
19 |
|
[FMT]C:1009 |
3 |
1 |
152 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
29564 |
91.2 |
-0.4 |
0.314 |
0 |
0 |
0 |
0.000 |
20 |
|
[FMT]A:1008 |
3 |
1 |
151 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
29553 |
90.7 |
-0.4 |
0.311 |
0 |
0 |
0 |
0.000 |
Average: |
91.0 |
-0.4 |
0.313 |
0 |
0 |
0 |
0.000 |
14 |
21 |
|
[FMT]A:1012 |
3 |
1 |
151 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
29553 |
90.9 |
0.2 |
0.421 |
2 |
0 |
0 |
0.000 |
15 |
22 |
|
[FMT]C:1013 |
3 |
1 |
151 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
29564 |
90.9 |
0.1 |
0.418 |
2 |
0 |
0 |
0.000 |
16 |
23 |
|
[FMT]A:1013 |
3 |
1 |
153 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
29553 |
87.6 |
-0.1 |
0.376 |
0 |
0 |
0 |
0.000 |
24 |
|
[FMT]C:1014 |
3 |
1 |
152 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
29564 |
87.4 |
-0.1 |
0.378 |
0 |
0 |
0 |
0.000 |
Average: |
87.5 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[FMT]C:1016 |
3 |
1 |
151 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
29564 |
87.4 |
-0.6 |
0.313 |
0 |
0 |
0 |
0.000 |
18 |
26 |
|
[FMT]A:1015 |
3 |
1 |
153 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
29553 |
86.8 |
-0.8 |
0.295 |
0 |
0 |
0 |
0.000 |
19 |
27 |
|
[EDO]A:1006 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
29553 |
83.7 |
1.4 |
0.201 |
2 |
0 |
0 |
0.000 |
28 |
|
[EDO]C:1007 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
3 |
29564 |
83.4 |
1.4 |
0.202 |
2 |
0 |
0 |
0.000 |
Average: |
83.6 |
1.4 |
0.201 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[FMT]C:1010 |
3 |
1 |
150 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
29564 |
80.3 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
30 |
|
[FMT]A:1009 |
3 |
1 |
151 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
29553 |
80.0 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
Average: |
80.1 |
0.1 |
0.540 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[NAG]C:1003 |
6 |
1 |
364 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
29564 |
78.8 |
1.2 |
0.284 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]A:1002 |
6 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
29553 |
78.3 |
1.1 |
0.263 |
0 |
0 |
0 |
0.000 |
Average: |
78.5 |
1.2 |
0.274 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[DGO]B:201 |
7 |
1 |
280 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
3 |
29564 |
76.7 |
2.4 |
0.214 |
0 |
0 |
0 |
0.000 |
34 |
|
A |
9 |
3 |
29553 |
◊ |
[DGO]D:201 |
x,y,z-1 |
1_554 |
7 |
1 |
281 |
75.2 |
2.3 |
0.189 |
3 |
0 |
0 |
0.000 |
Average: |
75.9 |
2.4 |
0.201 |
2 |
0 |
0 |
0.000 |
23 |
35 |
|
[DGO]B:201 |
6 |
1 |
280 |
◊ |
D |
x,y,z-1 |
1_554 |
10 |
3 |
5346 |
74.2 |
2.2 |
0.414 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
9 |
3 |
5272 |
◊ |
[DGO]D:201 |
x,y,z-1 |
1_554 |
5 |
1 |
281 |
72.7 |
2.3 |
0.485 |
1 |
0 |
0 |
0.000 |
Average: |
73.4 |
2.2 |
0.449 |
1 |
0 |
0 |
0.000 |
24 |
37 |
|
[ACT]A:1005 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
29553 |
74.1 |
-1.2 |
0.539 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[ACT]C:1006 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
29564 |
72.5 |
-1.2 |
0.544 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[NAG]C:1003 |
9 |
1 |
364 |
cf |
[NAG]C:1002 |
x,y,z |
1_555 |
7 |
1 |
363 |
69.8 |
1.6 |
0.083 |
0 |
0 |
0 |
0.000 |
40 |
|
[NAG]A:1002 |
10 |
1 |
364 |
cf |
[NAG]A:1001 |
x,y,z |
1_555 |
7 |
1 |
363 |
69.3 |
1.6 |
0.075 |
0 |
0 |
0 |
0.000 |
Average: |
69.6 |
1.6 |
0.079 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
B |
7 |
3 |
5272 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
3 |
5346 |
68.1 |
0.8 |
0.835 |
1 |
0 |
0 |
0.000 |
28 |
42 |
|
[FMT]C:1017 |
3 |
1 |
151 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
29564 |
66.6 |
0.6 |
0.444 |
1 |
0 |
0 |
0.000 |
29 |
43 |
|
[FMT]A:1016 |
3 |
1 |
151 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
29553 |
66.3 |
0.5 |
0.442 |
1 |
0 |
0 |
0.000 |
30 |
44 |
|
[ACT]A:1005 |
4 |
1 |
186 |
◊ |
D |
x,y,z-1 |
1_554 |
8 |
5 |
5346 |
64.3 |
-0.5 |
0.601 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
B |
7 |
5 |
5272 |
◊ |
[ACT]C:1006 |
x,y,z-1 |
1_554 |
4 |
1 |
186 |
64.1 |
-0.5 |
0.564 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[FMT]A:1014 |
3 |
1 |
151 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
29553 |
62.5 |
-0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
47 |
|
[FMT]C:1015 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
29564 |
62.2 |
-0.2 |
0.549 |
0 |
0 |
0 |
0.000 |
Average: |
62.4 |
-0.2 |
0.547 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[BMA]A:1003 |
7 |
1 |
294 |
cf |
[NAG]A:1002 |
x,y,z |
1_555 |
4 |
1 |
364 |
60.2 |
1.1 |
0.123 |
0 |
0 |
0 |
0.000 |
49 |
|
[BMA]C:1004 |
7 |
1 |
293 |
cf |
[NAG]C:1003 |
x,y,z |
1_555 |
4 |
1 |
364 |
60.2 |
1.1 |
0.127 |
0 |
0 |
0 |
0.000 |
Average: |
60.2 |
1.1 |
0.125 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[MAN]C:1005 |
6 |
1 |
292 |
cf |
[BMA]C:1004 |
x,y,z |
1_555 |
5 |
1 |
293 |
57.9 |
2.4 |
0.229 |
0 |
0 |
0 |
0.000 |
51 |
|
[MAN]A:1004 |
6 |
1 |
293 |
cf |
[BMA]A:1003 |
x,y,z |
1_555 |
5 |
1 |
294 |
57.6 |
2.4 |
0.229 |
0 |
0 |
0 |
0.000 |
Average: |
57.8 |
2.4 |
0.229 |
0 |
0 |
0 |
0.000 |
35 |
52 |
|
C |
9 |
3 |
29564 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
5346 |
57.8 |
-0.4 |
0.568 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
[DGO]B:201 |
7 |
1 |
280 |
◊ |
[DGO]D:201 |
x,y,z-1 |
1_554 |
7 |
1 |
281 |
55.9 |
2.9 |
0.061 |
0 |
0 |
0 |
0.000 |
37 |
54 |
|
[FMT]A:1016 |
2 |
1 |
151 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
5272 |
53.7 |
-0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
[FMT]C:1017 |
2 |
1 |
151 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
5346 |
53.6 |
-0.1 |
0.631 |
0 |
0 |
0 |
0.000 |
39 |
56 |
|
[DGO]D:201 |
4 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
7 |
2 |
5346 |
52.3 |
1.4 |
0.441 |
1 |
0 |
0 |
0.000 |
40 |
57 |
|
[DGO]B:201 |
5 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
5272 |
50.6 |
1.2 |
0.331 |
0 |
0 |
0 |
0.000 |
41 |
58 |
|
C |
6 |
1 |
29564 |
x |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
3 |
1 |
29564 |
36.5 |
0.3 |
0.524 |
0 |
0 |
0 |
0.000 |
42 |
59 |
|
C |
6 |
4 |
29564 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
29553 |
35.7 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
43 |
60 |
|
[MAN]C:1005 |
3 |
1 |
292 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
29564 |
29.1 |
1.1 |
0.508 |
0 |
0 |
0 |
0.000 |
61 |
|
[MAN]A:1004 |
3 |
1 |
293 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
29553 |
29.1 |
1.1 |
0.510 |
0 |
0 |
0 |
0.000 |
Average: |
29.1 |
1.1 |
0.509 |
0 |
0 |
0 |
0.000 |
44 |
62 |
|
[FMT]C:1010 |
1 |
1 |
150 |
f |
[EDO]C:1007 |
x,y,z |
1_555 |
2 |
1 |
185 |
26.0 |
0.7 |
0.577 |
0 |
0 |
0 |
0.000 |
63 |
|
[FMT]A:1009 |
1 |
1 |
151 |
f |
[EDO]A:1006 |
x,y,z |
1_555 |
2 |
1 |
185 |
25.9 |
0.7 |
0.577 |
0 |
0 |
0 |
0.000 |
Average: |
25.9 |
0.7 |
0.577 |
0 |
0 |
0 |
0.000 |
45 |
64 |
|
B |
4 |
1 |
5272 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
2 |
29553 |
25.5 |
-0.5 |
0.292 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
A |
3 |
1 |
29553 |
x |
A |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
29553 |
16.5 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
47 |
66 |
|
[CA]D:202 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
29564 |
13.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
29553 |
12.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
12.9 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
68 |
|
[CA]B:203 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
29553 |
8.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[CA]D:203 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
29564 |
7.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
7.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
70 |
|
[FMT]A:1014 |
2 |
1 |
151 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5272 |
5.2 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
71 |
|
[FMT]C:1015 |
2 |
1 |
149 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
5346 |
3.4 |
0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
Average: |
4.3 |
-0.0 |
0.621 |
0 |
0 |
0 |
0.000 |
50 |
72 |
|
[MAN]C:1005 |
1 |
1 |
292 |
f |
[NAG]C:1003 |
x,y,z |
1_555 |
1 |
1 |
364 |
4.1 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
73 |
|
[MAN]A:1004 |
1 |
1 |
293 |
f |
[NAG]A:1002 |
x,y,z |
1_555 |
1 |
1 |
364 |
4.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
Average: |
4.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|