## |
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 |
|
H |
98 |
26 |
5101 |
◊ |
G |
x,y,z |
1_555 |
104 |
26 |
5371 |
838.8 |
-3.2 |
0.809 |
15 |
0 |
0 |
0.156 |
2 |
|
D |
98 |
26 |
5188 |
◊ |
C |
x,y,z |
1_555 |
100 |
25 |
5250 |
836.1 |
-3.3 |
0.811 |
15 |
0 |
0 |
0.156 |
3 |
|
B |
94 |
24 |
5221 |
◊ |
A |
x,y,z |
1_555 |
99 |
27 |
5188 |
829.1 |
-3.3 |
0.791 |
14 |
0 |
0 |
0.156 |
4 |
|
F |
98 |
26 |
5124 |
◊ |
E |
x,y,z |
1_555 |
98 |
25 |
5110 |
805.1 |
-2.4 |
0.855 |
15 |
0 |
0 |
0.156 |
Average: |
827.3 |
-3.1 |
0.816 |
15 |
0 |
0 |
0.156 |
2 |
5 |
|
[HEC]B:200 |
43 |
1 |
850 |
cf |
B |
x,y,z |
1_555 |
68 |
28 |
5221 |
572.5 |
-21.9 |
0.240 |
3 |
0 |
0 |
0.671 |
6 |
|
[HEC]C:200 |
43 |
1 |
849 |
cf |
C |
x,y,z |
1_555 |
78 |
28 |
5250 |
541.7 |
-20.3 |
0.322 |
3 |
0 |
0 |
0.671 |
7 |
|
[HEC]F:200 |
43 |
1 |
847 |
cf |
F |
x,y,z |
1_555 |
72 |
28 |
5124 |
541.0 |
-20.2 |
0.281 |
3 |
0 |
0 |
0.671 |
8 |
|
[HEC]A:200 |
43 |
1 |
848 |
cf |
A |
x,y,z |
1_555 |
67 |
26 |
5188 |
536.3 |
-20.1 |
0.270 |
3 |
0 |
0 |
0.671 |
9 |
|
[HEC]E:200 |
43 |
1 |
845 |
cf |
E |
x,y,z |
1_555 |
74 |
27 |
5110 |
530.2 |
-19.8 |
0.320 |
3 |
0 |
0 |
0.671 |
10 |
|
[HEC]H:200 |
43 |
1 |
846 |
cf |
H |
x,y,z |
1_555 |
67 |
27 |
5101 |
529.7 |
-20.0 |
0.276 |
3 |
0 |
0 |
0.671 |
11 |
|
[HEC]G:200 |
43 |
1 |
845 |
cf |
G |
x,y,z |
1_555 |
70 |
27 |
5371 |
528.1 |
-20.1 |
0.240 |
3 |
0 |
0 |
0.671 |
12 |
|
[HEC]D:200 |
43 |
1 |
845 |
cf |
D |
x,y,z |
1_555 |
69 |
26 |
5188 |
524.9 |
-19.6 |
0.259 |
3 |
0 |
0 |
0.671 |
Average: |
538.0 |
-20.2 |
0.276 |
3 |
0 |
0 |
0.671 |
3 |
13 |
|
H |
34 |
11 |
5101 |
◊ |
C |
x,y,z |
1_555 |
40 |
13 |
5250 |
379.5 |
-5.4 |
0.273 |
4 |
0 |
0 |
0.014 |
14 |
|
E |
38 |
13 |
5110 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
5188 |
363.1 |
-4.9 |
0.264 |
6 |
0 |
0 |
0.014 |
Average: |
371.3 |
-5.1 |
0.269 |
5 |
0 |
0 |
0.014 |
4 |
15 |
|
F |
30 |
11 |
5124 |
◊ |
F |
-y,-x,-z+2/3 |
4_555 |
29 |
11 |
5124 |
368.7 |
-5.6 |
0.183 |
0 |
0 |
0 |
0.010 |
5 |
16 |
|
G |
29 |
12 |
5371 |
◊ |
G |
x,x-y,-z+1 |
6_556 |
28 |
12 |
5371 |
333.0 |
-4.4 |
0.250 |
1 |
0 |
0 |
0.011 |
17 |
|
D |
28 |
11 |
5188 |
◊ |
D |
x,x-y+1,-z+1 |
6_566 |
28 |
11 |
5188 |
327.2 |
-4.3 |
0.249 |
3 |
0 |
0 |
0.011 |
Average: |
330.1 |
-4.3 |
0.249 |
2 |
0 |
0 |
0.011 |
6 |
18 |
|
D |
36 |
12 |
5188 |
◊ |
B |
-y+1,x-y+1,z+1/3 |
2_665 |
30 |
10 |
5221 |
289.6 |
-2.0 |
0.623 |
0 |
1 |
0 |
0.000 |
19 |
|
G |
31 |
10 |
5371 |
◊ |
F |
-y,x-y,z+1/3 |
2_555 |
26 |
8 |
5124 |
280.0 |
-3.1 |
0.451 |
2 |
1 |
0 |
0.000 |
Average: |
284.8 |
-2.5 |
0.537 |
1 |
1 |
0 |
0.000 |
7 |
20 |
|
B |
26 |
10 |
5221 |
◊ |
B |
-y+1,-x+1,-z+2/3 |
4_665 |
26 |
10 |
5221 |
274.2 |
-2.1 |
0.549 |
1 |
0 |
0 |
0.000 |
8 |
21 |
|
D |
16 |
6 |
5188 |
◊ |
D |
-x+y,y,-z+4/3 |
5_556 |
18 |
6 |
5188 |
177.4 |
-0.2 |
0.711 |
2 |
2 |
0 |
0.000 |
9 |
22 |
|
C |
19 |
4 |
5250 |
◊ |
B |
x,y,z |
1_555 |
20 |
4 |
5221 |
151.2 |
1.3 |
0.879 |
0 |
0 |
0 |
0.000 |
23 |
|
G |
19 |
4 |
5371 |
◊ |
E |
x,y,z |
1_555 |
20 |
4 |
5110 |
145.1 |
1.2 |
0.868 |
0 |
0 |
0 |
0.000 |
Average: |
148.2 |
1.2 |
0.873 |
0 |
0 |
0 |
0.000 |
10 |
24 |
|
G |
15 |
7 |
5371 |
◊ |
F |
x,x-y,-z+1 |
6_556 |
13 |
5 |
5124 |
145.9 |
-0.4 |
0.553 |
0 |
0 |
0 |
0.000 |
11 |
25 |
|
H |
16 |
5 |
5101 |
◊ |
E |
x,y,z |
1_555 |
12 |
5 |
5110 |
122.0 |
0.6 |
0.765 |
0 |
0 |
0 |
0.000 |
26 |
|
D |
17 |
6 |
5188 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
5221 |
120.6 |
0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
27 |
|
C |
10 |
4 |
5250 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
5188 |
117.0 |
0.4 |
0.745 |
0 |
0 |
0 |
0.000 |
28 |
|
G |
11 |
4 |
5371 |
◊ |
F |
x,y,z |
1_555 |
17 |
6 |
5124 |
114.8 |
0.6 |
0.749 |
0 |
0 |
0 |
0.000 |
Average: |
118.6 |
0.5 |
0.745 |
0 |
0 |
0 |
0.000 |
12 |
29 |
|
[GOL]F:202 |
6 |
1 |
223 |
f |
G |
x,x-y,-z+1 |
6_556 |
20 |
9 |
5371 |
117.6 |
-0.8 |
0.551 |
3 |
0 |
0 |
0.032 |
13 |
30 |
|
[HEC]B:200 |
10 |
1 |
850 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
5188 |
97.2 |
-4.3 |
0.577 |
1 |
0 |
0 |
0.137 |
31 |
|
[HEC]F:200 |
10 |
1 |
847 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
5110 |
95.8 |
-4.2 |
0.552 |
1 |
0 |
0 |
0.137 |
32 |
|
[HEC]D:200 |
10 |
1 |
845 |
◊ |
C |
x,y,z |
1_555 |
14 |
6 |
5250 |
92.7 |
-4.0 |
0.554 |
1 |
0 |
0 |
0.137 |
33 |
|
[HEC]H:200 |
10 |
1 |
846 |
◊ |
G |
x,y,z |
1_555 |
13 |
6 |
5371 |
91.6 |
-3.9 |
0.565 |
1 |
0 |
0 |
0.137 |
34 |
|
[HEC]A:200 |
10 |
1 |
848 |
◊ |
B |
x,y,z |
1_555 |
12 |
6 |
5221 |
89.9 |
-4.0 |
0.566 |
1 |
0 |
0 |
0.137 |
35 |
|
[HEC]G:200 |
10 |
1 |
845 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
5101 |
88.6 |
-3.8 |
0.582 |
1 |
0 |
0 |
0.137 |
36 |
|
[HEC]E:200 |
10 |
1 |
845 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
5124 |
88.0 |
-3.7 |
0.609 |
1 |
0 |
0 |
0.137 |
37 |
|
[HEC]C:200 |
10 |
1 |
849 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
5188 |
86.3 |
-3.6 |
0.627 |
1 |
0 |
0 |
0.137 |
Average: |
91.3 |
-3.9 |
0.579 |
1 |
0 |
0 |
0.137 |
14 |
38 |
|
G |
10 |
3 |
5371 |
◊ |
G |
-x+y,y,-z+4/3 |
5_556 |
10 |
3 |
5371 |
90.8 |
2.0 |
0.918 |
2 |
4 |
0 |
0.000 |
15 |
39 |
|
[GOL]F:201 |
5 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
5124 |
77.2 |
-0.3 |
0.594 |
2 |
0 |
0 |
0.019 |
16 |
40 |
|
[GOL]E:201 |
5 |
1 |
225 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
5110 |
74.8 |
-0.2 |
0.603 |
1 |
0 |
0 |
0.009 |
17 |
41 |
|
[GOL]F:201 |
5 |
1 |
219 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
5371 |
74.4 |
-0.6 |
0.526 |
0 |
0 |
0 |
0.000 |
18 |
42 |
|
[HEC]C:200 |
4 |
1 |
849 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
5101 |
71.8 |
-1.4 |
0.624 |
0 |
0 |
0 |
0.003 |
43 |
|
[HEC]E:200 |
3 |
1 |
845 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
5188 |
71.6 |
-1.4 |
0.522 |
0 |
0 |
0 |
0.003 |
Average: |
71.7 |
-1.4 |
0.573 |
0 |
0 |
0 |
0.003 |
19 |
44 |
|
D |
4 |
1 |
5188 |
◊ |
B |
x,x-y+1,-z+1 |
6_566 |
8 |
3 |
5221 |
70.5 |
0.5 |
0.733 |
3 |
0 |
0 |
0.000 |
20 |
45 |
|
H |
8 |
3 |
5101 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
5188 |
59.8 |
-0.4 |
0.600 |
0 |
0 |
0 |
0.000 |
21 |
46 |
|
[HEC]G:200 |
4 |
1 |
845 |
◊ |
G |
x,x-y,-z+1 |
6_556 |
7 |
4 |
5371 |
59.4 |
-1.2 |
0.568 |
0 |
0 |
0 |
0.005 |
47 |
|
[HEC]D:200 |
4 |
1 |
845 |
◊ |
D |
x,x-y+1,-z+1 |
6_566 |
9 |
5 |
5188 |
57.3 |
-1.3 |
0.566 |
0 |
0 |
0 |
0.005 |
Average: |
58.3 |
-1.2 |
0.567 |
0 |
0 |
0 |
0.005 |
22 |
48 |
|
[HEC]H:200 |
3 |
1 |
846 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
5250 |
58.6 |
-1.1 |
0.564 |
0 |
0 |
0 |
0.002 |
49 |
|
[HEC]A:200 |
3 |
1 |
848 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
5110 |
53.3 |
-1.0 |
0.594 |
0 |
0 |
0 |
0.002 |
Average: |
55.9 |
-1.0 |
0.579 |
0 |
0 |
0 |
0.002 |
23 |
50 |
|
[GOL]F:202 |
4 |
1 |
223 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
5124 |
57.9 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
24 |
51 |
|
[GOL]E:201 |
6 |
1 |
225 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
5124 |
43.7 |
0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
25 |
52 |
|
A |
4 |
2 |
5188 |
◊ |
A |
-y+1,-x+1,-z+2/3 |
4_665 |
4 |
2 |
5188 |
42.8 |
0.5 |
0.792 |
2 |
0 |
0 |
0.000 |
26 |
53 |
|
[HEC]F:200 |
2 |
1 |
847 |
◊ |
F |
-y,-x,-z+2/3 |
4_555 |
5 |
3 |
5124 |
37.0 |
-1.3 |
0.292 |
0 |
0 |
0 |
0.005 |
27 |
54 |
|
[HEC]B:200 |
3 |
1 |
850 |
◊ |
[HEC]A:200 |
x,y,z |
1_555 |
3 |
1 |
848 |
35.1 |
-3.2 |
0.340 |
0 |
0 |
0 |
0.048 |
55 |
|
[HEC]F:200 |
3 |
1 |
847 |
◊ |
[HEC]E:200 |
x,y,z |
1_555 |
3 |
1 |
845 |
33.8 |
-3.1 |
0.334 |
0 |
0 |
0 |
0.048 |
56 |
|
[HEC]H:200 |
3 |
1 |
846 |
◊ |
[HEC]G:200 |
x,y,z |
1_555 |
3 |
1 |
845 |
32.8 |
-3.0 |
0.340 |
0 |
0 |
0 |
0.048 |
57 |
|
[HEC]D:200 |
3 |
1 |
845 |
◊ |
[HEC]C:200 |
x,y,z |
1_555 |
3 |
1 |
849 |
32.4 |
-3.0 |
0.342 |
0 |
0 |
0 |
0.048 |
Average: |
33.5 |
-3.1 |
0.339 |
0 |
0 |
0 |
0.048 |
28 |
58 |
|
[HEC]G:200 |
1 |
1 |
845 |
◊ |
[HEC]G:200 |
x,x-y,-z+1 |
6_556 |
1 |
1 |
845 |
27.9 |
-0.9 |
0.256 |
0 |
0 |
0 |
0.002 |
59 |
|
[HEC]D:200 |
1 |
1 |
845 |
◊ |
[HEC]D:200 |
x,x-y+1,-z+1 |
6_566 |
1 |
1 |
845 |
26.9 |
-0.9 |
0.256 |
0 |
0 |
0 |
0.002 |
Average: |
27.4 |
-0.9 |
0.256 |
0 |
0 |
0 |
0.002 |
29 |
60 |
|
B |
2 |
2 |
5221 |
◊ |
A |
-y+1,-x+1,-z+2/3 |
4_665 |
2 |
1 |
5188 |
25.4 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
30 |
61 |
|
F |
3 |
1 |
5124 |
◊ |
E |
-y,-x,-z+2/3 |
4_555 |
3 |
1 |
5110 |
24.9 |
-0.1 |
0.461 |
0 |
0 |
0 |
0.000 |
31 |
62 |
|
[GOL]F:201 |
3 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
5110 |
22.4 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
32 |
63 |
|
E |
3 |
2 |
5110 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
5221 |
19.9 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
64 |
|
G |
3 |
1 |
5371 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
5250 |
13.9 |
-0.1 |
0.370 |
0 |
0 |
0 |
0.000 |
Average: |
16.9 |
-0.0 |
0.470 |
0 |
0 |
0 |
0.000 |
33 |
65 |
|
[HEC]F:200 |
3 |
1 |
847 |
◊ |
[HEC]F:200 |
-y,-x,-z+2/3 |
4_555 |
3 |
1 |
847 |
19.9 |
-0.6 |
0.818 |
0 |
0 |
0 |
0.001 |
34 |
66 |
|
E |
1 |
1 |
5110 |
◊ |
E |
-y,-x,-z+2/3 |
4_555 |
1 |
1 |
5110 |
7.7 |
0.3 |
0.834 |
0 |
0 |
0 |
0.000 |
35 |
67 |
|
[HEC]H:200 |
2 |
1 |
846 |
◊ |
[HEC]C:200 |
x,y,z |
1_555 |
1 |
1 |
849 |
2.7 |
-0.1 |
0.862 |
0 |
0 |
0 |
0.000 |
68 |
|
[HEC]E:200 |
1 |
1 |
845 |
◊ |
[HEC]A:200 |
x,y,z |
1_555 |
2 |
1 |
848 |
2.5 |
-0.1 |
0.860 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.1 |
0.861 |
0 |
0 |
0 |
0.000 |
36 |
69 |
|
[GOL]E:201 |
1 |
1 |
225 |
◊ |
E |
-y,-x,-z+2/3 |
4_555 |
1 |
1 |
5110 |
0.9 |
0.0 |
0.596 |
0 |
0 |
0 |
0.000 |
37 |
70 |
|
H |
1 |
1 |
5101 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
5124 |
0.5 |
0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
71 |
|
D |
1 |
1 |
5188 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5188 |
0.1 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
Average: |
0.3 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
|