## |
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 |
63 |
11 |
1349 |
◊ |
D |
x,y,z |
1_555 |
75 |
28 |
9604 |
621.1 |
-10.6 |
0.196 |
7 |
1 |
0 |
1.000 |
2 |
|
F |
61 |
11 |
1349 |
◊ |
B |
x,y,z |
1_555 |
75 |
28 |
9793 |
612.1 |
-8.3 |
0.290 |
7 |
0 |
0 |
1.000 |
3 |
|
G |
61 |
11 |
1342 |
◊ |
C |
x,y,z |
1_555 |
74 |
28 |
9650 |
604.3 |
-8.8 |
0.266 |
7 |
0 |
0 |
1.000 |
4 |
|
E |
58 |
11 |
1377 |
◊ |
A |
x,y,z |
1_555 |
72 |
26 |
9734 |
586.7 |
-9.2 |
0.202 |
6 |
0 |
0 |
1.000 |
Average: |
606.0 |
-9.2 |
0.239 |
7 |
0 |
0 |
1.000 |
2 |
5 |
|
D |
60 |
17 |
9604 |
◊ |
A |
x,y,z |
1_555 |
54 |
16 |
9734 |
476.4 |
3.1 |
0.756 |
10 |
3 |
0 |
0.000 |
6 |
|
C |
52 |
15 |
9650 |
◊ |
B |
x,y,z |
1_555 |
57 |
15 |
9793 |
449.1 |
3.9 |
0.809 |
12 |
3 |
0 |
0.000 |
Average: |
462.7 |
3.5 |
0.783 |
11 |
3 |
0 |
0.000 |
3 |
7 |
|
C |
45 |
11 |
9650 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
45 |
13 |
9793 |
421.1 |
-3.6 |
0.227 |
4 |
10 |
0 |
0.000 |
4 |
8 |
|
A |
36 |
11 |
9734 |
◊ |
C |
x,y,z-1 |
1_554 |
30 |
10 |
9650 |
292.7 |
1.6 |
0.607 |
7 |
4 |
0 |
0.071 |
9 |
|
D |
24 |
8 |
9604 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
9793 |
274.1 |
1.4 |
0.618 |
7 |
4 |
0 |
0.071 |
Average: |
283.4 |
1.5 |
0.613 |
7 |
4 |
0 |
0.071 |
5 |
10 |
|
G |
25 |
8 |
1342 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
34 |
10 |
9604 |
264.0 |
-3.6 |
0.302 |
2 |
0 |
0 |
0.161 |
6 |
11 |
|
A |
31 |
13 |
9734 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
28 |
8 |
9604 |
231.7 |
-2.1 |
0.290 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
D |
25 |
6 |
9604 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
8 |
9793 |
225.0 |
-1.3 |
0.327 |
6 |
0 |
0 |
0.000 |
13 |
|
A |
24 |
7 |
9734 |
◊ |
C |
x-1,y,z-1 |
1_454 |
27 |
7 |
9650 |
209.3 |
-1.4 |
0.300 |
3 |
0 |
0 |
0.000 |
Average: |
217.2 |
-1.4 |
0.314 |
5 |
0 |
0 |
0.000 |
8 |
14 |
|
A |
27 |
7 |
9734 |
◊ |
B |
x,y,z-1 |
1_554 |
21 |
5 |
9793 |
220.3 |
-0.7 |
0.421 |
4 |
3 |
0 |
0.000 |
15 |
|
B |
26 |
7 |
9793 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
9734 |
210.3 |
-0.2 |
0.535 |
4 |
3 |
0 |
0.000 |
Average: |
215.3 |
-0.4 |
0.478 |
4 |
3 |
0 |
0.000 |
9 |
16 |
|
[HEZ]D:302 |
8 |
1 |
297 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
9604 |
195.8 |
6.1 |
0.250 |
1 |
0 |
0 |
0.000 |
10 |
17 |
|
[HEZ]A:301 |
8 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
31 |
10 |
9734 |
183.4 |
5.6 |
0.141 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
B |
14 |
5 |
9793 |
◊ |
C |
x-1,y,z |
1_455 |
21 |
9 |
9650 |
172.7 |
3.4 |
0.875 |
4 |
4 |
0 |
0.000 |
19 |
|
D |
21 |
10 |
9604 |
◊ |
A |
x-1,y,z |
1_455 |
16 |
7 |
9734 |
134.0 |
0.5 |
0.624 |
0 |
1 |
0 |
0.000 |
Average: |
153.3 |
1.9 |
0.750 |
2 |
3 |
0 |
0.000 |
12 |
20 |
|
[HEZ]D:303 |
8 |
1 |
295 |
◊ |
D |
x,y,z |
1_555 |
27 |
9 |
9604 |
160.3 |
5.3 |
0.032 |
1 |
0 |
0 |
0.000 |
13 |
21 |
|
[GOL]B:304 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
9793 |
149.5 |
-1.1 |
0.386 |
2 |
0 |
0 |
0.122 |
14 |
22 |
|
A |
16 |
7 |
9734 |
x |
A |
x-1,y,z |
1_455 |
17 |
6 |
9734 |
145.2 |
0.9 |
0.672 |
2 |
0 |
0 |
0.000 |
23 |
|
B |
15 |
7 |
9793 |
x |
B |
x-1,y,z |
1_455 |
17 |
8 |
9793 |
139.0 |
0.9 |
0.671 |
1 |
0 |
0 |
0.000 |
Average: |
142.1 |
0.9 |
0.672 |
2 |
0 |
0 |
0.000 |
15 |
24 |
|
[GOL]C:304 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
9650 |
129.7 |
-0.6 |
0.424 |
4 |
0 |
0 |
0.181 |
16 |
25 |
|
[HEZ]B:302 |
7 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
9793 |
122.9 |
3.9 |
0.005 |
4 |
0 |
0 |
0.000 |
17 |
26 |
|
[HEZ]B:301 |
8 |
1 |
294 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
9650 |
122.7 |
3.6 |
0.004 |
2 |
0 |
0 |
0.000 |
18 |
27 |
|
[HEZ]B:301 |
8 |
1 |
294 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
9793 |
121.5 |
3.9 |
0.004 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[HEZ]D:301 |
8 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
9604 |
119.8 |
3.4 |
0.003 |
2 |
0 |
0 |
0.000 |
20 |
29 |
|
[HEZ]A:302 |
8 |
1 |
292 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
9734 |
115.7 |
4.1 |
0.004 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[GOL]B:303 |
6 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
9793 |
115.2 |
0.2 |
0.576 |
3 |
0 |
0 |
0.068 |
22 |
31 |
|
[HEZ]D:301 |
8 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
9734 |
113.5 |
3.9 |
0.007 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[HEZ]A:302 |
8 |
1 |
292 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
9604 |
113.3 |
2.8 |
0.645 |
1 |
0 |
0 |
0.000 |
24 |
33 |
|
[HEZ]B:302 |
8 |
1 |
297 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
9650 |
112.6 |
3.1 |
0.596 |
4 |
0 |
0 |
0.000 |
25 |
34 |
|
[GOL]C:303 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
9650 |
107.0 |
-0.6 |
0.449 |
2 |
0 |
0 |
0.112 |
26 |
35 |
|
[GOL]D:305 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
9604 |
104.2 |
0.2 |
0.559 |
4 |
0 |
0 |
0.167 |
27 |
36 |
|
E |
10 |
3 |
1377 |
◊ |
C |
x,y,z-1 |
1_554 |
8 |
4 |
9650 |
103.9 |
1.0 |
0.618 |
3 |
1 |
0 |
0.017 |
37 |
|
F |
8 |
3 |
1349 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
9604 |
76.9 |
-0.5 |
0.464 |
1 |
0 |
0 |
0.017 |
Average: |
90.4 |
0.2 |
0.541 |
2 |
1 |
0 |
0.017 |
28 |
38 |
|
[GOL]H:101 |
5 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
1349 |
97.5 |
-0.6 |
0.592 |
2 |
0 |
0 |
0.338 |
29 |
39 |
|
[GOL]A:305 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
9734 |
97.5 |
-0.6 |
0.455 |
1 |
0 |
0 |
0.108 |
30 |
40 |
|
[GOL]B:306 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
9793 |
95.4 |
0.6 |
0.633 |
5 |
0 |
0 |
0.097 |
31 |
41 |
|
[GOL]C:302 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
9650 |
90.0 |
0.2 |
0.561 |
3 |
0 |
0 |
0.086 |
32 |
42 |
|
[GOL]D:304 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
9604 |
89.9 |
-0.0 |
0.572 |
3 |
0 |
0 |
0.144 |
33 |
43 |
|
A |
13 |
6 |
9734 |
◊ |
[GOL]C:301 |
x,y,z-1 |
1_554 |
6 |
1 |
223 |
89.9 |
-0.7 |
0.394 |
1 |
0 |
0 |
0.039 |
34 |
44 |
|
[GOL]B:305 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9793 |
84.9 |
-0.3 |
0.541 |
0 |
0 |
0 |
0.017 |
35 |
45 |
|
[GOL]C:301 |
6 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
9650 |
84.3 |
-0.3 |
0.443 |
2 |
0 |
0 |
0.092 |
36 |
46 |
|
C |
7 |
2 |
9650 |
◊ |
H |
-x-1,y-1/2,-z |
2_445 |
7 |
2 |
1349 |
69.8 |
-0.9 |
0.274 |
0 |
0 |
0 |
0.000 |
37 |
47 |
|
[GOL]A:304 |
5 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
9604 |
68.1 |
0.0 |
0.595 |
2 |
0 |
0 |
0.000 |
38 |
48 |
|
[GOL]A:303 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
9734 |
63.7 |
0.6 |
0.675 |
2 |
0 |
0 |
0.032 |
39 |
49 |
|
A |
8 |
2 |
9734 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
7 |
3 |
9604 |
63.2 |
-0.3 |
0.493 |
0 |
0 |
0 |
0.000 |
40 |
50 |
|
[GOL]D:305 |
4 |
1 |
221 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
9734 |
61.5 |
0.1 |
0.591 |
2 |
0 |
0 |
0.000 |
41 |
51 |
|
[GOL]A:303 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
9604 |
60.8 |
0.7 |
0.641 |
0 |
0 |
0 |
0.000 |
42 |
52 |
|
[NH2]F:13 |
1 |
1 |
117 |
cf |
F |
x,y,z |
1_555 |
7 |
2 |
1349 |
59.0 |
0.9 |
0.833 |
0 |
0 |
0 |
0.000 |
53 |
|
[NH2]E:13 |
1 |
1 |
117 |
cf |
E |
x,y,z |
1_555 |
8 |
2 |
1377 |
58.5 |
0.6 |
0.802 |
0 |
0 |
0 |
0.000 |
54 |
|
[NH2]H:13 |
1 |
1 |
117 |
cf |
H |
x,y,z |
1_555 |
8 |
3 |
1349 |
53.2 |
0.4 |
0.820 |
0 |
0 |
0 |
0.000 |
55 |
|
[NH2]G:13 |
1 |
1 |
117 |
cf |
G |
x,y,z |
1_555 |
8 |
2 |
1342 |
48.1 |
0.5 |
0.820 |
0 |
0 |
0 |
0.000 |
Average: |
54.7 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
43 |
56 |
|
[GOL]B:303 |
5 |
1 |
222 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
1349 |
58.9 |
-1.1 |
0.488 |
0 |
0 |
0 |
0.440 |
44 |
57 |
|
[HEZ]A:301 |
5 |
1 |
296 |
f |
D |
-x-1,y-1/2,-z |
2_445 |
6 |
2 |
9604 |
57.5 |
1.7 |
0.672 |
0 |
0 |
0 |
0.000 |
45 |
58 |
|
[GOL]A:304 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
9793 |
56.0 |
-0.1 |
0.574 |
0 |
0 |
0 |
0.000 |
46 |
59 |
|
D |
5 |
2 |
9604 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
4 |
9793 |
54.5 |
1.3 |
0.751 |
1 |
0 |
0 |
0.000 |
60 |
|
C |
4 |
3 |
9650 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9734 |
19.6 |
0.2 |
0.637 |
0 |
0 |
0 |
0.000 |
Average: |
37.1 |
0.8 |
0.694 |
1 |
0 |
0 |
0.000 |
47 |
61 |
|
[GOL]B:305 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
9650 |
50.4 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
48 |
62 |
|
C |
9 |
4 |
9650 |
◊ |
[GOL]H:101 |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
217 |
49.5 |
-0.4 |
0.475 |
1 |
0 |
0 |
0.000 |
49 |
63 |
|
[GOL]A:304 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9734 |
48.7 |
-0.3 |
0.480 |
2 |
0 |
0 |
0.127 |
50 |
64 |
|
[GOL]C:302 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9793 |
46.0 |
0.2 |
0.653 |
1 |
0 |
0 |
0.000 |
51 |
65 |
|
[NH2]G:13 |
1 |
1 |
117 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
7 |
3 |
9604 |
42.6 |
0.6 |
0.780 |
0 |
0 |
0 |
0.000 |
52 |
66 |
|
E |
7 |
2 |
1377 |
◊ |
[GOL]C:301 |
x,y,z-1 |
1_554 |
4 |
1 |
223 |
41.0 |
-0.2 |
0.587 |
0 |
0 |
0 |
0.005 |
53 |
67 |
|
[GOL]A:304 |
3 |
1 |
220 |
f |
[HEZ]D:303 |
x,y,z |
1_555 |
5 |
1 |
295 |
40.3 |
1.4 |
0.866 |
1 |
0 |
0 |
0.000 |
54 |
68 |
|
[GOL]D:304 |
3 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
9734 |
39.4 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
55 |
69 |
|
B |
5 |
3 |
9793 |
◊ |
[GOL]C:303 |
x-1,y,z |
1_455 |
4 |
1 |
219 |
37.7 |
0.2 |
0.632 |
1 |
0 |
0 |
0.000 |
56 |
70 |
|
C |
2 |
1 |
9650 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
9604 |
35.0 |
-1.4 |
0.046 |
0 |
0 |
0 |
0.048 |
57 |
71 |
|
[HEZ]D:303 |
4 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
9793 |
34.3 |
1.1 |
0.733 |
0 |
0 |
0 |
0.000 |
58 |
72 |
|
[NH2]H:13 |
1 |
1 |
117 |
f |
[GOL]H:101 |
x,y,z |
1_555 |
3 |
1 |
217 |
33.0 |
0.6 |
0.866 |
0 |
0 |
0 |
0.000 |
59 |
73 |
|
D |
2 |
1 |
9604 |
◊ |
[GOL]A:305 |
x-1,y,z |
1_455 |
2 |
1 |
221 |
23.8 |
0.3 |
0.643 |
1 |
0 |
0 |
0.000 |
60 |
74 |
|
[HEZ]D:301 |
3 |
1 |
294 |
f |
[HEZ]A:302 |
x,y,z |
1_555 |
2 |
1 |
292 |
23.5 |
1.2 |
1.000 |
0 |
0 |
0 |
0.000 |
61 |
75 |
|
E |
2 |
1 |
1377 |
◊ |
C |
x-1,y,z-1 |
1_454 |
4 |
2 |
9650 |
22.2 |
0.6 |
0.804 |
0 |
0 |
0 |
0.000 |
76 |
|
D |
3 |
1 |
9604 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
1349 |
10.0 |
0.2 |
0.734 |
0 |
0 |
0 |
0.000 |
Average: |
16.1 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
62 |
77 |
|
[GOL]B:306 |
2 |
1 |
222 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
9650 |
20.6 |
-0.2 |
0.451 |
0 |
0 |
0 |
0.000 |
63 |
78 |
|
A |
2 |
1 |
9734 |
f |
[HEZ]D:302 |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
297 |
19.9 |
0.6 |
0.642 |
0 |
0 |
0 |
0.000 |
64 |
79 |
|
G |
1 |
1 |
1342 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
9793 |
16.3 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
65 |
80 |
|
G |
3 |
1 |
1342 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
3 |
1 |
1349 |
15.4 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
66 |
81 |
|
C |
7 |
4 |
9650 |
x |
C |
x-1,y,z |
1_455 |
4 |
4 |
9650 |
13.5 |
-0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
82 |
|
D |
2 |
2 |
9604 |
x |
D |
x-1,y,z |
1_455 |
3 |
2 |
9604 |
5.7 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
9.6 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
67 |
83 |
|
F |
1 |
1 |
1349 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
9734 |
5.8 |
0.1 |
0.771 |
0 |
0 |
0 |
0.000 |
68 |
84 |
|
[HEZ]B:302 |
2 |
1 |
297 |
f |
[HEZ]B:301 |
x,y,z |
1_555 |
2 |
1 |
294 |
5.0 |
0.3 |
1.000 |
0 |
0 |
0 |
0.000 |
69 |
85 |
|
G |
1 |
1 |
1342 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
9734 |
4.0 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
70 |
86 |
|
A |
1 |
1 |
9734 |
◊ |
H |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
1349 |
2.5 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
71 |
87 |
|
A |
1 |
1 |
9734 |
◊ |
[GOL]B:305 |
x,y,z-1 |
1_554 |
1 |
1 |
219 |
0.3 |
-0.0 |
0.567 |
0 |
0 |
0 |
0.000 |
72 |
88 |
|
C |
1 |
1 |
9650 |
◊ |
[GOL]B:304 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
216 |
0.2 |
-0.0 |
0.546 |
0 |
0 |
0 |
0.000 |
|