| ## |
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 |
|
T |
130 |
39 |
10834 |
◊ |
L |
x,y,z |
1_555 |
120 |
32 |
10646 |
1239.1 |
-6.1 |
0.516 |
17 |
9 |
0 |
0.065 |
| 2 |
2 |
|
H |
107 |
28 |
11976 |
◊ |
L |
x,y,z |
1_555 |
106 |
24 |
10646 |
978.5 |
-7.5 |
0.430 |
21 |
5 |
1 |
0.107 |
| 3 |
3 |
|
T |
56 |
17 |
10834 |
◊ |
H |
x,y,z |
1_555 |
58 |
17 |
11976 |
572.8 |
0.2 |
0.652 |
10 |
3 |
0 |
0.020 |
| 4 |
4 |
|
[0G7]H:701 |
28 |
1 |
695 |
cf |
H |
x,y,z |
1_555 |
70 |
26 |
11976 |
446.0 |
-1.7 |
0.472 |
7 |
0 |
0 |
0.024 |
| 5 |
5 |
|
H |
47 |
17 |
11976 |
◊ |
L |
x-1/2,-y+1/2,-z+1 |
4_456 |
37 |
10 |
10646 |
409.2 |
-5.9 |
0.175 |
4 |
0 |
0 |
0.000 |
| 6 |
6 |
|
H |
39 |
13 |
11976 |
◊ |
T |
-x+1/2,-y,z-1/2 |
2_554 |
43 |
14 |
10834 |
394.5 |
0.8 |
0.663 |
8 |
6 |
0 |
0.000 |
| 7 |
7 |
|
H |
40 |
11 |
11976 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
38 |
11 |
10646 |
343.1 |
1.6 |
0.805 |
3 |
0 |
0 |
0.000 |
| 8 |
8 |
|
H |
28 |
12 |
11976 |
◊ |
T |
-x+1,y-1/2,-z+1/2 |
3_645 |
38 |
12 |
10834 |
319.4 |
-2.1 |
0.408 |
2 |
1 |
0 |
0.000 |
| 9 |
9 |
|
T |
26 |
9 |
10834 |
x |
T |
x-1/2,-y+1/2,-z+1 |
4_456 |
24 |
10 |
10834 |
250.8 |
-3.3 |
0.154 |
1 |
0 |
0 |
0.000 |
| 10 |
10 |
|
H |
30 |
11 |
11976 |
x |
H |
x-1/2,-y+1/2,-z |
4_455 |
26 |
10 |
11976 |
250.0 |
-1.8 |
0.438 |
3 |
0 |
0 |
0.000 |
| 11 |
11 |
|
T |
30 |
8 |
10834 |
◊ |
L |
x-1/2,-y+1/2,-z+1 |
4_456 |
25 |
10 |
10646 |
250.0 |
-0.7 |
0.574 |
3 |
0 |
0 |
0.000 |
| 12 |
12 |
|
L |
25 |
10 |
10646 |
x |
L |
x-1/2,-y+1/2,-z+1 |
4_456 |
23 |
7 |
10646 |
201.5 |
-1.7 |
0.486 |
2 |
1 |
0 |
0.000 |
| 13 |
13 |
|
[FUC]L:901 |
9 |
1 |
281 |
◊ |
L |
x,y,z |
1_555 |
17 |
7 |
10646 |
117.3 |
3.2 |
0.473 |
0 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[GLC]L:801 |
9 |
1 |
294 |
f |
L |
x,y,z |
1_555 |
15 |
5 |
10646 |
114.1 |
1.7 |
0.335 |
0 |
0 |
0 |
0.000 |
| 15 |
15 |
|
[CL]T:1015 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
12 |
7 |
10834 |
67.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.120 |
| 16 |
16 |
|
[CL]H:1014 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
11976 |
66.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.055 |
| 17 |
17 |
|
[FUC]L:901 |
4 |
1 |
281 |
f |
T |
x,y,z |
1_555 |
5 |
3 |
10834 |
66.3 |
2.1 |
0.666 |
0 |
0 |
0 |
0.000 |
| 18 |
18 |
|
[NA]H:1010 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
5 |
5 |
11976 |
62.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.061 |
| 19 |
19 |
|
[CL]H:1013 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
19 |
7 |
11976 |
58.2 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.038 |
| 20 |
20 |
|
[ZN]H:1011 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
11976 |
57.4 |
-31.4 |
0.000 |
0 |
0 |
0 |
0.155 |
| 21 |
21 |
|
[ZN]H:1012 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
11976 |
54.2 |
-38.2 |
0.000 |
0 |
0 |
0 |
0.189 |
| 22 |
22 |
|
[CL]H:1013 |
1 |
1 |
125 |
f |
[0G7]H:701 |
x,y,z |
1_555 |
6 |
1 |
695 |
47.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.024 |
| 23 |
23 |
|
[CA]L:1003 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
10646 |
44.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.093 |
24 |
|
[CA]L:1002 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
6 |
3 |
10646 |
39.8 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.093 |
| Average: |
42.2 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.093 |
| 24 |
25 |
|
[CA]H:1009 |
1 |
1 |
85 |
f |
H |
x,y,z |
1_555 |
7 |
5 |
11976 |
43.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.062 |
| 25 |
26 |
|
[CA]L:1008 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
5 |
4 |
10646 |
43.0 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.060 |
| 26 |
27 |
|
[CA]L:1006 |
1 |
1 |
85 |
f |
L |
x,y,z |
1_555 |
6 |
4 |
10646 |
39.1 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.056 |
| 27 |
28 |
|
[MG]L:1001 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
3 |
3 |
10646 |
35.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.035 |
| 28 |
29 |
|
[CL]H:1014 |
1 |
1 |
125 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
11976 |
16.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 29 |
30 |
|
L |
3 |
1 |
10646 |
◊ |
H |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
11976 |
14.2 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
| 30 |
31 |
|
L |
1 |
1 |
10646 |
◊ |
[MG]L:1001 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
98 |
12.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 31 |
32 |
|
T |
1 |
1 |
10834 |
◊ |
[MG]L:1001 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
98 |
11.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
33 |
|
[CA]L:1003 |
1 |
1 |
85 |
f |
[CA]L:1002 |
x,y,z |
1_555 |
1 |
1 |
85 |
11.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.017 |
| 33 |
34 |
|
[CA]L:1006 |
1 |
1 |
85 |
f |
[CA]L:1005 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 34 |
35 |
|
[CA]L:1005 |
1 |
1 |
85 |
f |
[MG]L:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 35 |
36 |
|
H |
1 |
1 |
11976 |
◊ |
[MG]L:1001 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
98 |
7.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
37 |
|
T |
1 |
1 |
10834 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
11976 |
6.9 |
0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
| 37 |
38 |
|
[CA]L:1008 |
1 |
1 |
85 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
10834 |
3.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
| 38 |
39 |
|
T |
1 |
1 |
10834 |
◊ |
[CA]L:1002 |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
85 |
3.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| 39 |
40 |
|
[CA]L:1002 |
1 |
1 |
85 |
f |
[MG]L:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
2.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.003 |
| 40 |
41 |
|
[CA]L:1003 |
1 |
1 |
85 |
f |
[MG]L:1004 |
x,y,z |
1_555 |
1 |
1 |
98 |
1.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
|