## |
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 |
|
C |
270 |
73 |
22668 |
◊ |
B |
x,y,z |
1_555 |
267 |
75 |
23104 |
2662.8 |
-34.5 |
0.471 |
27 |
5 |
0 |
0.135 |
2 |
|
D |
249 |
66 |
19481 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
254 |
71 |
23105 |
2434.9 |
-35.5 |
0.355 |
23 |
4 |
0 |
0.135 |
Average: |
2548.8 |
-35.0 |
0.413 |
25 |
5 |
0 |
0.135 |
2 |
3 |
|
B |
100 |
29 |
23104 |
◊ |
D |
x-1,y,z-1 |
1_454 |
97 |
30 |
19481 |
941.4 |
-14.2 |
0.375 |
9 |
4 |
0 |
0.061 |
4 |
|
C |
92 |
30 |
22668 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
87 |
27 |
23105 |
856.9 |
-9.7 |
0.628 |
8 |
2 |
0 |
0.061 |
Average: |
899.2 |
-12.0 |
0.501 |
9 |
3 |
0 |
0.061 |
3 |
5 |
|
[FBP]A:604 |
20 |
1 |
478 |
f |
A |
x,y,z |
1_555 |
50 |
21 |
23105 |
337.8 |
-4.7 |
0.772 |
12 |
0 |
0 |
0.058 |
6 |
|
[FBP]D:605 |
20 |
1 |
481 |
f |
D |
x,y,z |
1_555 |
49 |
20 |
19481 |
330.3 |
-5.0 |
0.776 |
11 |
0 |
0 |
0.058 |
Average: |
334.0 |
-4.8 |
0.774 |
12 |
0 |
0 |
0.058 |
4 |
7 |
|
[FBP]C:607 |
19 |
1 |
457 |
cf |
C |
x,y,z |
1_555 |
49 |
21 |
22668 |
325.4 |
-5.4 |
0.729 |
14 |
0 |
0 |
0.030 |
5 |
8 |
|
[FBP]B:607 |
19 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
50 |
20 |
23104 |
321.1 |
-3.4 |
0.771 |
12 |
0 |
0 |
0.028 |
6 |
9 |
|
B |
24 |
8 |
23104 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
10 |
22668 |
265.7 |
-2.8 |
0.555 |
2 |
2 |
0 |
0.000 |
7 |
10 |
|
D |
26 |
11 |
19481 |
◊ |
A |
x,y,z |
1_555 |
30 |
14 |
23105 |
204.5 |
-1.1 |
0.768 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
B |
27 |
9 |
23104 |
◊ |
A |
x,y,z |
1_555 |
19 |
7 |
23105 |
185.5 |
-1.6 |
0.628 |
2 |
1 |
0 |
0.000 |
9 |
12 |
|
[GOL]C:604 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
22668 |
150.7 |
-0.8 |
0.633 |
2 |
0 |
0 |
0.004 |
10 |
13 |
|
[GOL]D:603 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
16 |
11 |
19481 |
146.7 |
-0.9 |
0.567 |
2 |
0 |
0 |
0.006 |
11 |
14 |
|
[GOL]B:604 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
23104 |
144.4 |
-0.6 |
0.617 |
4 |
0 |
0 |
0.008 |
12 |
15 |
|
[K]C:602 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
22668 |
131.2 |
-87.7 |
0.000 |
0 |
0 |
0 |
0.224 |
13 |
16 |
|
[GOL]B:606 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
23104 |
123.1 |
-0.0 |
0.647 |
2 |
0 |
0 |
0.003 |
14 |
17 |
|
[K]A:601 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
12 |
23105 |
122.9 |
-95.9 |
0.000 |
0 |
0 |
0 |
0.600 |
18 |
|
[K]D:601 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
10 |
19481 |
122.8 |
-95.2 |
0.000 |
0 |
0 |
0 |
0.600 |
19 |
|
[K]B:601 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
10 |
23104 |
119.1 |
-90.2 |
0.000 |
0 |
0 |
0 |
0.600 |
20 |
|
[K]C:601 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
14 |
11 |
22668 |
111.6 |
-89.1 |
0.000 |
0 |
0 |
0 |
0.600 |
Average: |
119.1 |
-92.6 |
0.000 |
0 |
0 |
0 |
0.600 |
15 |
21 |
|
[GOL]B:602 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
23104 |
120.1 |
-1.2 |
0.500 |
3 |
0 |
0 |
0.008 |
16 |
22 |
|
[GOL]B:605 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
23104 |
117.3 |
-0.5 |
0.635 |
2 |
0 |
0 |
0.004 |
17 |
23 |
|
[GOL]B:603 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
22668 |
111.6 |
-0.4 |
0.601 |
0 |
0 |
0 |
0.001 |
18 |
24 |
|
C |
11 |
5 |
22668 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
23105 |
109.5 |
-1.7 |
0.455 |
0 |
0 |
0 |
0.000 |
19 |
25 |
|
[PEG]B:608 |
7 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
23104 |
103.0 |
1.1 |
0.223 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
[K]D:602 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
19481 |
102.0 |
-55.0 |
0.000 |
0 |
0 |
0 |
0.178 |
21 |
27 |
|
[GOL]D:604 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
19481 |
101.1 |
-0.4 |
0.652 |
1 |
0 |
0 |
0.003 |
22 |
28 |
|
[GOL]A:602 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
23105 |
100.3 |
-0.4 |
0.584 |
3 |
0 |
0 |
0.005 |
23 |
29 |
|
[PEG]A:605 |
6 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
23104 |
99.4 |
2.0 |
0.348 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[OXL]C:609 |
6 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
22668 |
98.6 |
1.4 |
0.489 |
4 |
0 |
0 |
0.001 |
25 |
31 |
|
[PEG]A:605 |
5 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
13 |
7 |
23105 |
94.5 |
2.3 |
0.457 |
2 |
0 |
0 |
0.000 |
26 |
32 |
|
[PEG]A:606 |
6 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
11 |
8 |
23105 |
93.9 |
0.5 |
0.186 |
2 |
0 |
0 |
0.001 |
27 |
33 |
|
D |
9 |
5 |
19481 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
22668 |
93.4 |
-2.4 |
0.223 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[GOL]C:605 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
22668 |
87.9 |
-0.5 |
0.552 |
2 |
0 |
0 |
0.004 |
29 |
35 |
|
B |
9 |
4 |
23104 |
◊ |
A |
x-1,y,z-1 |
1_454 |
10 |
3 |
23105 |
86.8 |
-0.9 |
0.568 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
[PEG]B:608 |
6 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
23105 |
82.1 |
2.5 |
0.424 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
[GOL]A:603 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
23105 |
79.7 |
-0.5 |
0.570 |
2 |
0 |
0 |
0.004 |
32 |
38 |
|
C |
15 |
6 |
22668 |
◊ |
[GOL]A:603 |
-x-1,y-1/2,-z |
2_445 |
6 |
1 |
216 |
75.9 |
0.5 |
0.751 |
2 |
0 |
0 |
0.000 |
33 |
39 |
|
[GOL]B:603 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
23104 |
71.0 |
1.7 |
0.808 |
2 |
0 |
0 |
0.000 |
34 |
40 |
|
[CL]C:606 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
22668 |
67.1 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.023 |
35 |
41 |
|
B |
10 |
4 |
23104 |
◊ |
[GOL]C:603 |
x-1,y,z |
1_455 |
4 |
1 |
216 |
57.4 |
0.3 |
0.691 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
B |
13 |
5 |
23104 |
◊ |
[GOL]D:604 |
x-1,y,z-1 |
1_454 |
4 |
1 |
217 |
55.7 |
0.3 |
0.731 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[MG]B:609 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
23104 |
54.1 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.048 |
44 |
|
[MG]D:606 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
19481 |
51.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.048 |
45 |
|
[MG]A:607 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
23105 |
50.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.048 |
46 |
|
[MG]C:608 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
7 |
22668 |
38.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.048 |
Average: |
48.6 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.048 |
38 |
47 |
|
C |
11 |
4 |
22668 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
2 |
19481 |
50.7 |
-0.9 |
0.547 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
C |
11 |
2 |
22668 |
◊ |
[PEG]A:606 |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
257 |
42.7 |
0.8 |
0.406 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[GOL]C:603 |
3 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
22668 |
34.0 |
0.4 |
0.686 |
2 |
0 |
0 |
0.001 |
41 |
50 |
|
[PEG]B:608 |
3 |
1 |
254 |
f |
[PEG]A:605 |
x,y,z |
1_555 |
2 |
1 |
257 |
30.9 |
1.0 |
0.169 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
[OXL]C:609 |
4 |
1 |
198 |
f |
[MG]C:608 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.007 |
43 |
52 |
|
[OXL]C:609 |
1 |
1 |
198 |
f |
[K]C:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
22.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.025 |
44 |
53 |
|
[FBP]B:607 |
3 |
1 |
471 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
1 |
22668 |
19.8 |
-1.3 |
0.344 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
B |
4 |
2 |
23104 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
23105 |
16.8 |
-0.4 |
0.387 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
[MG]C:608 |
1 |
1 |
98 |
f |
[K]C:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
16.2 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.026 |
47 |
56 |
|
C |
1 |
1 |
22668 |
◊ |
D |
x-1,y,z-1 |
1_454 |
1 |
1 |
19481 |
14.7 |
-0.5 |
0.159 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
1 |
1 |
23104 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
23105 |
7.4 |
-0.2 |
0.268 |
0 |
0 |
0 |
0.000 |
Average: |
11.0 |
-0.4 |
0.214 |
0 |
0 |
0 |
0.001 |
48 |
58 |
|
[MG]B:609 |
1 |
1 |
98 |
f |
[K]B:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
9.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.018 |
49 |
59 |
|
[MG]A:607 |
1 |
1 |
98 |
f |
[K]A:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.014 |
50 |
60 |
|
[MG]D:606 |
1 |
1 |
98 |
f |
[K]D:601 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.015 |
51 |
61 |
|
C |
1 |
1 |
22668 |
◊ |
[K]D:602 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
0.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|