## |
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]D:199 |
43 |
1 |
845 |
cf |
D |
x,y,z |
1_555 |
71 |
31 |
9739 |
570.5 |
-23.2 |
0.203 |
5 |
0 |
0 |
0.425 |
2 |
|
[HEC]B:199 |
43 |
1 |
844 |
cf |
B |
x,y,z |
1_555 |
73 |
31 |
9671 |
567.6 |
-22.8 |
0.244 |
5 |
0 |
0 |
0.425 |
3 |
|
[HEC]C:199 |
43 |
1 |
844 |
cf |
C |
x,y,z |
1_555 |
72 |
31 |
9761 |
567.6 |
-23.2 |
0.215 |
5 |
0 |
0 |
0.425 |
4 |
|
[HEC]A:199 |
43 |
1 |
845 |
cf |
A |
x,y,z |
1_555 |
74 |
31 |
9708 |
566.9 |
-22.7 |
0.243 |
5 |
0 |
0 |
0.425 |
Average: |
568.2 |
-23.0 |
0.226 |
5 |
0 |
0 |
0.425 |
2 |
5 |
|
[HEC]C:200 |
43 |
1 |
849 |
cf |
C |
x,y,z |
1_555 |
77 |
34 |
9761 |
569.2 |
-21.4 |
0.429 |
5 |
0 |
0 |
0.394 |
6 |
|
[HEC]D:200 |
43 |
1 |
846 |
cf |
D |
x,y,z |
1_555 |
75 |
33 |
9739 |
560.5 |
-21.2 |
0.441 |
5 |
0 |
0 |
0.394 |
7 |
|
[HEC]A:200 |
43 |
1 |
851 |
cf |
A |
x,y,z |
1_555 |
76 |
34 |
9708 |
551.8 |
-20.4 |
0.440 |
6 |
0 |
0 |
0.394 |
8 |
|
[HEC]B:200 |
43 |
1 |
847 |
cf |
B |
x,y,z |
1_555 |
75 |
32 |
9671 |
549.7 |
-20.8 |
0.412 |
5 |
0 |
0 |
0.394 |
Average: |
557.8 |
-21.0 |
0.430 |
5 |
0 |
0 |
0.394 |
3 |
9 |
|
A |
52 |
18 |
9708 |
◊ |
C |
x,y,z-1 |
1_554 |
50 |
15 |
9761 |
490.2 |
-11.0 |
0.057 |
1 |
0 |
0 |
0.094 |
10 |
|
D |
45 |
15 |
9739 |
◊ |
B |
x,y,z |
1_555 |
45 |
15 |
9671 |
457.7 |
-9.9 |
0.060 |
0 |
0 |
0 |
0.094 |
Average: |
474.0 |
-10.5 |
0.059 |
1 |
0 |
0 |
0.094 |
4 |
11 |
|
C |
46 |
14 |
9761 |
x |
C |
-x+1,y-1/2,-z+2 |
2_647 |
49 |
13 |
9761 |
440.0 |
-3.2 |
0.680 |
4 |
1 |
0 |
0.000 |
5 |
12 |
|
B |
45 |
13 |
9671 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
39 |
15 |
9671 |
438.8 |
-3.0 |
0.528 |
4 |
2 |
0 |
0.000 |
13 |
|
A |
35 |
12 |
9708 |
x |
A |
-x,y-1/2,-z |
2_545 |
40 |
14 |
9708 |
358.5 |
0.3 |
0.851 |
4 |
3 |
0 |
0.000 |
Average: |
398.7 |
-1.4 |
0.689 |
4 |
3 |
0 |
0.000 |
6 |
14 |
|
A |
50 |
18 |
9708 |
◊ |
D |
x-1,y,z |
1_455 |
45 |
19 |
9739 |
433.9 |
-10.2 |
0.059 |
0 |
0 |
0 |
0.087 |
15 |
|
C |
42 |
16 |
9761 |
◊ |
B |
x,y,z |
1_555 |
43 |
16 |
9671 |
425.2 |
-9.8 |
0.049 |
1 |
0 |
0 |
0.087 |
Average: |
429.6 |
-10.0 |
0.054 |
1 |
0 |
0 |
0.087 |
7 |
16 |
|
D |
43 |
13 |
9739 |
x |
D |
-x+2,y-1/2,-z+1 |
2_746 |
44 |
12 |
9739 |
405.1 |
-3.1 |
0.660 |
3 |
2 |
0 |
0.000 |
8 |
17 |
|
A |
40 |
12 |
9708 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
41 |
16 |
9761 |
352.3 |
-5.2 |
0.403 |
2 |
0 |
0 |
0.000 |
18 |
|
B |
24 |
7 |
9671 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
27 |
14 |
9739 |
217.3 |
-3.5 |
0.380 |
0 |
0 |
0 |
0.000 |
Average: |
284.8 |
-4.4 |
0.391 |
1 |
0 |
0 |
0.000 |
9 |
19 |
|
D |
17 |
5 |
9739 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
7 |
9761 |
176.3 |
1.5 |
0.906 |
3 |
0 |
0 |
0.000 |
10 |
20 |
|
B |
17 |
6 |
9671 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
9708 |
175.2 |
-1.2 |
0.599 |
0 |
2 |
0 |
0.000 |
21 |
|
A |
16 |
6 |
9708 |
◊ |
B |
x-1,y,z-1 |
1_454 |
22 |
7 |
9671 |
160.9 |
1.0 |
0.861 |
1 |
4 |
0 |
0.000 |
Average: |
168.0 |
-0.1 |
0.730 |
1 |
3 |
0 |
0.000 |
11 |
22 |
|
D |
24 |
8 |
9739 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
6 |
9671 |
167.2 |
-0.2 |
0.730 |
3 |
0 |
0 |
0.000 |
23 |
|
C |
15 |
6 |
9761 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
9708 |
106.3 |
-0.2 |
0.595 |
1 |
0 |
0 |
0.000 |
Average: |
136.8 |
-0.2 |
0.662 |
2 |
0 |
0 |
0.000 |
12 |
24 |
|
A |
13 |
4 |
9708 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
6 |
9671 |
109.5 |
-1.8 |
0.381 |
0 |
0 |
0 |
0.000 |
25 |
|
B |
11 |
3 |
9671 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
9708 |
96.8 |
-1.6 |
0.354 |
0 |
0 |
0 |
0.000 |
Average: |
103.1 |
-1.7 |
0.368 |
0 |
0 |
0 |
0.000 |
13 |
26 |
|
C |
12 |
5 |
9761 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
4 |
9739 |
109.4 |
1.1 |
0.873 |
1 |
0 |
0 |
0.000 |
14 |
27 |
|
[GOL]A:201 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
9708 |
90.7 |
0.4 |
0.724 |
5 |
0 |
0 |
0.016 |
15 |
28 |
|
[GOL]A:201 |
5 |
1 |
221 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
8 |
3 |
9708 |
75.0 |
-1.4 |
0.310 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[HEC]A:199 |
5 |
1 |
845 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
5 |
9739 |
72.2 |
-2.3 |
0.373 |
0 |
0 |
0 |
0.019 |
30 |
|
[HEC]B:199 |
5 |
1 |
844 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
9761 |
68.4 |
-2.2 |
0.317 |
0 |
0 |
0 |
0.019 |
Average: |
70.3 |
-2.3 |
0.345 |
0 |
0 |
0 |
0.019 |
17 |
31 |
|
[HEC]B:200 |
3 |
1 |
847 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
9739 |
71.5 |
-2.5 |
0.149 |
0 |
0 |
0 |
0.021 |
18 |
32 |
|
[HEC]A:200 |
3 |
1 |
851 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
4 |
9761 |
69.9 |
-2.5 |
0.155 |
0 |
0 |
0 |
0.020 |
19 |
33 |
|
A |
8 |
4 |
9708 |
◊ |
[HEC]D:200 |
x-1,y,z |
1_455 |
4 |
1 |
846 |
63.4 |
-2.0 |
0.333 |
0 |
0 |
0 |
0.017 |
34 |
|
[HEC]C:200 |
4 |
1 |
849 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9671 |
61.6 |
-2.0 |
0.288 |
0 |
0 |
0 |
0.017 |
Average: |
62.5 |
-2.0 |
0.311 |
0 |
0 |
0 |
0.017 |
20 |
35 |
|
[HEC]D:199 |
3 |
1 |
845 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
9671 |
56.7 |
-2.1 |
0.110 |
0 |
0 |
0 |
0.018 |
36 |
|
A |
5 |
3 |
9708 |
◊ |
[HEC]C:199 |
x,y,z-1 |
1_554 |
3 |
1 |
844 |
52.2 |
-1.9 |
0.172 |
0 |
0 |
0 |
0.018 |
Average: |
54.4 |
-2.0 |
0.141 |
0 |
0 |
0 |
0.018 |
21 |
37 |
|
[HEC]A:200 |
3 |
1 |
851 |
◊ |
[HEC]C:199 |
x,y,z-1 |
1_554 |
3 |
1 |
844 |
36.7 |
-1.2 |
0.673 |
0 |
0 |
0 |
0.010 |
22 |
38 |
|
[HEC]B:200 |
3 |
1 |
847 |
f |
[HEC]B:199 |
x,y,z |
1_555 |
3 |
1 |
844 |
35.4 |
-3.2 |
0.335 |
0 |
0 |
0 |
0.053 |
39 |
|
[HEC]C:200 |
3 |
1 |
849 |
f |
[HEC]C:199 |
x,y,z |
1_555 |
3 |
1 |
844 |
35.1 |
-3.1 |
0.343 |
0 |
0 |
0 |
0.053 |
40 |
|
[HEC]D:200 |
3 |
1 |
846 |
f |
[HEC]D:199 |
x,y,z |
1_555 |
3 |
1 |
845 |
34.7 |
-3.1 |
0.344 |
0 |
0 |
0 |
0.053 |
41 |
|
[HEC]A:200 |
3 |
1 |
851 |
f |
[HEC]A:199 |
x,y,z |
1_555 |
3 |
1 |
845 |
34.4 |
-3.1 |
0.342 |
0 |
0 |
0 |
0.053 |
Average: |
34.9 |
-3.1 |
0.341 |
0 |
0 |
0 |
0.053 |
23 |
42 |
|
[HEC]D:199 |
3 |
1 |
845 |
◊ |
[HEC]B:200 |
x,y,z |
1_555 |
2 |
1 |
847 |
33.7 |
-1.1 |
0.599 |
0 |
0 |
0 |
0.009 |
24 |
43 |
|
[GOL]A:201 |
2 |
1 |
221 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
9761 |
31.7 |
-1.0 |
0.170 |
0 |
0 |
0 |
0.000 |
25 |
44 |
|
[HEC]A:199 |
3 |
1 |
845 |
◊ |
[HEC]D:200 |
x-1,y,z |
1_455 |
3 |
1 |
846 |
23.2 |
-0.7 |
0.804 |
0 |
0 |
0 |
0.006 |
45 |
|
[HEC]C:200 |
3 |
1 |
849 |
◊ |
[HEC]B:199 |
x,y,z |
1_555 |
3 |
1 |
844 |
22.3 |
-0.7 |
0.816 |
0 |
0 |
0 |
0.006 |
Average: |
22.8 |
-0.7 |
0.810 |
0 |
0 |
0 |
0.006 |
26 |
46 |
|
D |
1 |
1 |
9739 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
9761 |
7.1 |
0.2 |
0.823 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
2 |
1 |
9761 |
◊ |
D |
x-1,y,z |
1_455 |
1 |
1 |
9739 |
6.4 |
0.1 |
0.778 |
0 |
0 |
0 |
0.000 |
Average: |
6.8 |
0.1 |
0.801 |
0 |
0 |
0 |
0.000 |
|