| ## |
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 |
|
[HEC]C:200 |
43 |
1 |
850 |
cf |
C |
x,y,z |
1_555 |
76 |
32 |
9730 |
571.5 |
-21.4 |
0.414 |
5 |
0 |
0 |
0.395 |
2 |
|
[HEC]D:200 |
43 |
1 |
847 |
cf |
D |
x,y,z |
1_555 |
72 |
31 |
9629 |
559.1 |
-21.1 |
0.415 |
5 |
0 |
0 |
0.395 |
3 |
|
[HEC]A:200 |
43 |
1 |
848 |
cf |
A |
x,y,z |
1_555 |
80 |
34 |
9737 |
545.7 |
-20.4 |
0.444 |
5 |
0 |
0 |
0.395 |
4 |
|
[HEC]B:200 |
43 |
1 |
848 |
cf |
B |
x,y,z |
1_555 |
75 |
32 |
9817 |
544.4 |
-20.6 |
0.438 |
5 |
0 |
0 |
0.395 |
| Average: |
555.2 |
-20.9 |
0.428 |
5 |
0 |
0 |
0.395 |
| 2 |
5 |
|
[HEC]B:199 |
43 |
1 |
843 |
cf |
B |
x,y,z |
1_555 |
72 |
31 |
9817 |
567.4 |
-23.1 |
0.230 |
5 |
0 |
0 |
0.433 |
6 |
|
[HEC]A:199 |
43 |
1 |
847 |
cf |
A |
x,y,z |
1_555 |
74 |
31 |
9737 |
563.8 |
-22.6 |
0.248 |
6 |
0 |
0 |
0.433 |
7 |
|
[HEC]C:199 |
43 |
1 |
842 |
cf |
C |
x,y,z |
1_555 |
72 |
31 |
9730 |
563.3 |
-23.0 |
0.218 |
5 |
0 |
0 |
0.433 |
8 |
|
[HEC]D:199 |
43 |
1 |
846 |
cf |
D |
x,y,z |
1_555 |
73 |
31 |
9629 |
562.3 |
-22.7 |
0.249 |
6 |
0 |
0 |
0.433 |
| Average: |
564.2 |
-22.8 |
0.236 |
6 |
0 |
0 |
0.433 |
| 3 |
9 |
|
D |
55 |
16 |
9629 |
◊ |
B |
x,y,z |
1_555 |
51 |
15 |
9817 |
510.3 |
-10.5 |
0.083 |
0 |
0 |
0 |
0.095 |
10 |
|
A |
54 |
17 |
9737 |
◊ |
C |
x,y,z-1 |
1_554 |
48 |
14 |
9730 |
486.4 |
-11.3 |
0.045 |
1 |
0 |
0 |
0.095 |
| Average: |
498.4 |
-10.9 |
0.064 |
1 |
0 |
0 |
0.095 |
| 4 |
11 |
|
C |
46 |
14 |
9730 |
x |
C |
-x+1,y-1/2,-z+2 |
2_647 |
49 |
13 |
9730 |
444.3 |
-4.5 |
0.532 |
4 |
1 |
0 |
0.000 |
| 5 |
12 |
|
D |
42 |
13 |
9629 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
44 |
13 |
9629 |
434.1 |
-3.2 |
0.626 |
2 |
2 |
0 |
0.000 |
| 6 |
13 |
|
A |
48 |
18 |
9737 |
◊ |
D |
x-1,y,z |
1_455 |
47 |
18 |
9629 |
432.0 |
-10.0 |
0.060 |
0 |
0 |
0 |
0.085 |
14 |
|
C |
37 |
14 |
9730 |
◊ |
B |
x,y,z |
1_555 |
40 |
16 |
9817 |
405.2 |
-9.7 |
0.035 |
0 |
0 |
0 |
0.085 |
| Average: |
418.6 |
-9.8 |
0.048 |
0 |
0 |
0 |
0.085 |
| 7 |
15 |
|
A |
37 |
11 |
9737 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
41 |
15 |
9730 |
349.4 |
-5.7 |
0.329 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
31 |
9 |
9817 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
36 |
17 |
9629 |
302.5 |
-5.4 |
0.271 |
0 |
0 |
0 |
0.000 |
| Average: |
326.0 |
-5.5 |
0.300 |
1 |
0 |
0 |
0.000 |
| 8 |
17 |
|
B |
31 |
10 |
9817 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
15 |
9817 |
334.5 |
-0.5 |
0.775 |
4 |
3 |
0 |
0.000 |
18 |
|
A |
32 |
12 |
9737 |
x |
A |
-x,y-1/2,-z |
2_545 |
41 |
16 |
9737 |
329.5 |
1.4 |
0.901 |
1 |
3 |
0 |
0.000 |
| Average: |
332.0 |
0.4 |
0.838 |
3 |
3 |
0 |
0.000 |
| 9 |
19 |
|
A |
16 |
6 |
9737 |
◊ |
B |
x-1,y,z-1 |
1_454 |
24 |
9 |
9817 |
201.7 |
-0.3 |
0.733 |
2 |
3 |
0 |
0.000 |
20 |
|
B |
17 |
6 |
9817 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
9737 |
192.6 |
0.4 |
0.744 |
3 |
4 |
0 |
0.000 |
| Average: |
197.1 |
0.1 |
0.738 |
3 |
4 |
0 |
0.000 |
| 10 |
21 |
|
D |
14 |
5 |
9629 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
23 |
7 |
9730 |
165.2 |
0.8 |
0.846 |
3 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[TRS]D:201 |
7 |
1 |
252 |
f |
D |
x,y,z |
1_555 |
27 |
11 |
9629 |
153.9 |
5.0 |
0.600 |
6 |
0 |
0 |
0.000 |
| 12 |
23 |
|
D |
23 |
7 |
9629 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
5 |
9817 |
145.9 |
0.5 |
0.764 |
2 |
0 |
0 |
0.000 |
24 |
|
C |
14 |
5 |
9730 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
9737 |
107.8 |
0.1 |
0.571 |
1 |
0 |
0 |
0.000 |
| Average: |
126.9 |
0.3 |
0.667 |
2 |
0 |
0 |
0.000 |
| 13 |
25 |
|
A |
14 |
5 |
9737 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
6 |
9817 |
115.2 |
-1.8 |
0.392 |
0 |
0 |
0 |
0.000 |
26 |
|
B |
12 |
4 |
9817 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
9737 |
107.6 |
-1.5 |
0.358 |
1 |
0 |
0 |
0.000 |
| Average: |
111.4 |
-1.6 |
0.375 |
1 |
0 |
0 |
0.000 |
| 14 |
27 |
|
[GOL]A:201 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
9737 |
91.6 |
0.3 |
0.748 |
5 |
0 |
0 |
0.016 |
| 15 |
28 |
|
C |
12 |
6 |
9730 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
9629 |
88.5 |
0.9 |
0.852 |
1 |
0 |
0 |
0.000 |
| 16 |
29 |
|
[GOL]C:201 |
5 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9730 |
73.2 |
-0.6 |
0.557 |
1 |
0 |
0 |
0.009 |
| 17 |
30 |
|
[HEC]A:200 |
4 |
1 |
848 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
4 |
9730 |
70.7 |
-2.5 |
0.173 |
0 |
0 |
0 |
0.021 |
31 |
|
[HEC]B:200 |
3 |
1 |
848 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
9629 |
69.1 |
-2.4 |
0.164 |
0 |
0 |
0 |
0.021 |
| Average: |
69.9 |
-2.4 |
0.168 |
0 |
0 |
0 |
0.021 |
| 18 |
32 |
|
[GOL]A:201 |
5 |
1 |
216 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
8 |
3 |
9737 |
70.4 |
-1.5 |
0.311 |
0 |
0 |
0 |
0.000 |
| 19 |
33 |
|
[HEC]A:199 |
4 |
1 |
847 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
4 |
9629 |
69.8 |
-2.2 |
0.322 |
0 |
0 |
0 |
0.019 |
34 |
|
[HEC]B:199 |
4 |
1 |
843 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
9730 |
63.7 |
-2.1 |
0.232 |
0 |
0 |
0 |
0.019 |
| Average: |
66.7 |
-2.2 |
0.277 |
0 |
0 |
0 |
0.019 |
| 20 |
35 |
|
A |
6 |
3 |
9737 |
◊ |
[HEC]D:200 |
x-1,y,z |
1_455 |
5 |
1 |
847 |
62.5 |
-2.0 |
0.301 |
0 |
0 |
0 |
0.017 |
36 |
|
[HEC]C:200 |
4 |
1 |
850 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9817 |
59.0 |
-1.8 |
0.293 |
0 |
0 |
0 |
0.017 |
| Average: |
60.8 |
-1.9 |
0.297 |
0 |
0 |
0 |
0.017 |
| 21 |
37 |
|
[HEC]D:199 |
3 |
1 |
846 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
9817 |
55.9 |
-2.1 |
0.117 |
0 |
0 |
0 |
0.018 |
| 22 |
38 |
|
A |
5 |
3 |
9737 |
◊ |
[HEC]C:199 |
x,y,z-1 |
1_554 |
3 |
1 |
842 |
52.5 |
-2.0 |
0.160 |
0 |
0 |
0 |
0.016 |
| 23 |
39 |
|
[GOL]C:201 |
4 |
1 |
214 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
4 |
2 |
9629 |
36.1 |
1.0 |
0.705 |
0 |
0 |
0 |
0.000 |
| 24 |
40 |
|
[HEC]C:200 |
3 |
1 |
850 |
f |
[HEC]C:199 |
x,y,z |
1_555 |
3 |
1 |
842 |
35.7 |
-3.2 |
0.340 |
0 |
0 |
0 |
0.053 |
41 |
|
[HEC]B:200 |
3 |
1 |
848 |
f |
[HEC]B:199 |
x,y,z |
1_555 |
3 |
1 |
843 |
35.6 |
-3.2 |
0.344 |
0 |
0 |
0 |
0.053 |
42 |
|
[HEC]A:200 |
3 |
1 |
848 |
f |
[HEC]A:199 |
x,y,z |
1_555 |
3 |
1 |
847 |
34.6 |
-3.1 |
0.346 |
0 |
0 |
0 |
0.053 |
43 |
|
[HEC]D:200 |
3 |
1 |
847 |
f |
[HEC]D:199 |
x,y,z |
1_555 |
3 |
1 |
846 |
34.5 |
-3.1 |
0.351 |
0 |
0 |
0 |
0.053 |
| Average: |
35.1 |
-3.1 |
0.345 |
0 |
0 |
0 |
0.053 |
| 25 |
44 |
|
[HEC]A:200 |
2 |
1 |
848 |
◊ |
[HEC]C:199 |
x,y,z-1 |
1_554 |
3 |
1 |
842 |
35.6 |
-1.1 |
0.579 |
0 |
0 |
0 |
0.010 |
45 |
|
[HEC]D:199 |
3 |
1 |
846 |
◊ |
[HEC]B:200 |
x,y,z |
1_555 |
3 |
1 |
848 |
34.9 |
-1.1 |
0.690 |
0 |
0 |
0 |
0.010 |
| Average: |
35.3 |
-1.1 |
0.634 |
0 |
0 |
0 |
0.010 |
| 26 |
46 |
|
[GOL]C:201 |
2 |
1 |
214 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
4 |
2 |
9737 |
30.5 |
-0.0 |
0.569 |
0 |
0 |
0 |
0.000 |
| 27 |
47 |
|
[GOL]A:201 |
2 |
1 |
216 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
9730 |
30.1 |
-1.0 |
0.188 |
0 |
0 |
0 |
0.000 |
| 28 |
48 |
|
[HEC]A:199 |
3 |
1 |
847 |
◊ |
[HEC]D:200 |
x-1,y,z |
1_455 |
3 |
1 |
847 |
23.3 |
-0.7 |
0.799 |
0 |
0 |
0 |
0.006 |
49 |
|
[HEC]C:200 |
3 |
1 |
850 |
◊ |
[HEC]B:199 |
x,y,z |
1_555 |
2 |
1 |
843 |
23.0 |
-0.7 |
0.719 |
0 |
0 |
0 |
0.006 |
| Average: |
23.1 |
-0.7 |
0.759 |
0 |
0 |
0 |
0.006 |
| 29 |
50 |
|
B |
2 |
1 |
9817 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
9629 |
9.4 |
0.2 |
0.824 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
2 |
1 |
9737 |
◊ |
C |
x-1,y,z-1 |
1_454 |
1 |
1 |
9730 |
2.8 |
0.0 |
0.687 |
0 |
0 |
0 |
0.000 |
| Average: |
6.1 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
C |
3 |
1 |
9730 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
9629 |
9.1 |
0.2 |
0.792 |
0 |
0 |
0 |
0.000 |
53 |
|
D |
2 |
1 |
9629 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
9730 |
0.7 |
0.0 |
0.679 |
0 |
0 |
0 |
0.000 |
| Average: |
4.9 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
|