## |
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 |
|
A |
185 |
44 |
8154 |
◊ |
A |
-y-1/2,-x-1/2,-z-1/2 |
16_444 |
184 |
43 |
8154 |
1827.8 |
-35.1 |
0.022 |
14 |
4 |
0 |
1.000 |
2 |
|
D |
182 |
47 |
8255 |
◊ |
C |
x,y,z |
1_555 |
187 |
48 |
8140 |
1779.1 |
-33.7 |
0.018 |
16 |
2 |
0 |
1.000 |
3 |
|
B |
182 |
46 |
8132 |
◊ |
B |
-x+1/2,y,-z-1/4 |
5_554 |
182 |
46 |
8132 |
1742.2 |
-32.6 |
0.036 |
16 |
2 |
0 |
1.000 |
Average: |
1783.1 |
-33.8 |
0.026 |
15 |
3 |
0 |
1.000 |
2 |
4 |
|
F |
59 |
11 |
1539 |
◊ |
A |
x,y,z |
1_555 |
80 |
24 |
8154 |
666.7 |
-7.8 |
0.755 |
8 |
1 |
0 |
1.000 |
3 |
5 |
|
E |
56 |
10 |
1547 |
◊ |
B |
x,y,z |
1_555 |
74 |
22 |
8132 |
623.8 |
-5.7 |
0.814 |
8 |
1 |
0 |
0.502 |
6 |
|
H |
53 |
10 |
1555 |
◊ |
C |
x,y,z |
1_555 |
75 |
21 |
8140 |
616.1 |
-5.5 |
0.790 |
8 |
4 |
0 |
0.502 |
7 |
|
G |
50 |
10 |
1560 |
◊ |
D |
x,y,z |
1_555 |
68 |
22 |
8255 |
556.2 |
-5.9 |
0.703 |
7 |
1 |
0 |
0.502 |
Average: |
598.7 |
-5.7 |
0.769 |
8 |
2 |
0 |
0.502 |
4 |
8 |
|
D |
49 |
14 |
8255 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
8154 |
503.1 |
-4.7 |
0.294 |
5 |
4 |
0 |
0.012 |
9 |
|
C |
44 |
13 |
8140 |
◊ |
B |
x,y,z |
1_555 |
56 |
16 |
8132 |
442.5 |
-5.8 |
0.270 |
3 |
0 |
0 |
0.012 |
Average: |
472.8 |
-5.3 |
0.282 |
4 |
2 |
0 |
0.012 |
5 |
10 |
|
C |
38 |
13 |
8140 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
8154 |
291.0 |
-0.6 |
0.688 |
3 |
1 |
0 |
0.000 |
11 |
|
D |
35 |
13 |
8255 |
◊ |
B |
x,y,z |
1_555 |
27 |
7 |
8132 |
290.1 |
-2.3 |
0.516 |
2 |
1 |
0 |
0.000 |
Average: |
290.5 |
-1.4 |
0.602 |
3 |
1 |
0 |
0.000 |
6 |
12 |
|
E |
23 |
7 |
1547 |
◊ |
D |
-x,-y,z |
10_444 |
28 |
7 |
8255 |
220.5 |
-2.8 |
0.632 |
1 |
0 |
0 |
0.035 |
7 |
13 |
|
A |
15 |
6 |
8154 |
◊ |
A |
-x-1/2,y,-z-1/4 |
5_454 |
15 |
6 |
8154 |
160.7 |
-2.0 |
0.416 |
0 |
0 |
0 |
0.000 |
8 |
14 |
|
A |
18 |
8 |
8154 |
◊ |
D |
-y-1/2,x,z-1/4 |
11_444 |
16 |
6 |
8255 |
159.1 |
-0.4 |
0.572 |
1 |
0 |
0 |
0.000 |
9 |
15 |
|
[GOL]D:301 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
20 |
6 |
8255 |
129.3 |
-0.1 |
0.549 |
3 |
0 |
0 |
0.018 |
10 |
16 |
|
F |
13 |
3 |
1539 |
◊ |
D |
-y-1/2,x,z-1/4 |
11_444 |
16 |
4 |
8255 |
121.9 |
-0.5 |
0.744 |
1 |
0 |
0 |
0.000 |
11 |
17 |
|
D |
15 |
5 |
8255 |
◊ |
B |
-y,x-1/2,z+1/4 |
3_545 |
9 |
4 |
8132 |
121.3 |
-2.1 |
0.235 |
0 |
0 |
0 |
0.000 |
12 |
18 |
|
[PEG]D:308 |
7 |
1 |
261 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
8255 |
117.4 |
2.3 |
0.334 |
2 |
0 |
0 |
0.000 |
13 |
19 |
|
[PEG]B:306 |
7 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8132 |
110.8 |
0.5 |
0.187 |
2 |
0 |
0 |
0.011 |
14 |
20 |
|
[PEG]D:307 |
7 |
1 |
255 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
8255 |
104.9 |
1.8 |
0.237 |
2 |
0 |
0 |
0.000 |
15 |
21 |
|
[PEG]D:308 |
7 |
1 |
261 |
◊ |
G |
x,y,z |
1_555 |
11 |
4 |
1560 |
99.4 |
1.9 |
0.372 |
0 |
0 |
0 |
0.000 |
16 |
22 |
|
[GOL]C:301 |
6 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
8140 |
95.0 |
0.4 |
0.665 |
0 |
0 |
0 |
0.000 |
17 |
23 |
|
F |
14 |
2 |
1539 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
8140 |
88.3 |
-1.8 |
0.450 |
0 |
0 |
0 |
0.000 |
24 |
|
E |
14 |
2 |
1547 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
8255 |
85.8 |
-1.8 |
0.419 |
0 |
0 |
0 |
0.000 |
Average: |
87.1 |
-1.8 |
0.434 |
0 |
0 |
0 |
0.000 |
18 |
25 |
|
[PEG]C:303 |
7 |
1 |
256 |
◊ |
C |
x,y,z |
1_555 |
11 |
6 |
8140 |
86.3 |
2.3 |
0.281 |
3 |
0 |
0 |
0.000 |
19 |
26 |
|
G |
10 |
4 |
1560 |
◊ |
B |
-x,-y,z |
10_444 |
14 |
3 |
8132 |
83.1 |
-1.6 |
0.594 |
0 |
0 |
0 |
0.017 |
20 |
27 |
|
[GOL]B:301 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
8132 |
81.8 |
-0.3 |
0.580 |
1 |
0 |
0 |
0.014 |
21 |
28 |
|
[PEG]B:306 |
7 |
1 |
263 |
◊ |
B |
-x+1/2,y,-z-1/4 |
5_554 |
8 |
3 |
8132 |
77.3 |
1.2 |
0.179 |
0 |
0 |
0 |
0.000 |
22 |
29 |
|
[PEG]D:307 |
6 |
1 |
255 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
8140 |
77.0 |
3.0 |
0.428 |
0 |
0 |
0 |
0.000 |
23 |
30 |
|
[GOL]B:302 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
8132 |
75.8 |
0.0 |
0.623 |
2 |
0 |
0 |
0.023 |
24 |
31 |
|
[GOL]B:302 |
6 |
1 |
220 |
◊ |
B |
-x+1/2,y,-z-1/4 |
5_554 |
14 |
7 |
8132 |
75.7 |
0.5 |
0.709 |
1 |
0 |
0 |
0.000 |
25 |
32 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
8140 |
70.2 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.498 |
33 |
|
[CL]D:303 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
8255 |
69.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.498 |
34 |
|
[CL]B:304 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
8132 |
69.2 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.498 |
Average: |
69.7 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.498 |
26 |
35 |
|
D |
10 |
4 |
8255 |
◊ |
B |
-x,-y,z |
10_444 |
7 |
3 |
8132 |
69.9 |
2.5 |
0.927 |
2 |
3 |
0 |
0.000 |
27 |
36 |
|
G |
8 |
4 |
1560 |
◊ |
E |
-x,-y,z |
10_444 |
6 |
3 |
1547 |
67.6 |
-1.9 |
0.492 |
0 |
0 |
0 |
0.021 |
28 |
37 |
|
[CL]B:305 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
8132 |
66.6 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.249 |
29 |
38 |
|
[PEG]E:701 |
6 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
8140 |
64.7 |
0.4 |
0.148 |
0 |
0 |
0 |
0.000 |
30 |
39 |
|
[CL]B:303 |
1 |
1 |
125 |
f |
B |
-x+1/2,y,-z-1/4 |
5_554 |
8 |
4 |
8132 |
64.3 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.202 |
31 |
40 |
|
[PEG]E:701 |
5 |
1 |
258 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
8132 |
62.8 |
1.0 |
0.259 |
0 |
0 |
0 |
0.000 |
32 |
41 |
|
[CL]D:306 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
8255 |
59.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.095 |
33 |
42 |
|
E |
7 |
2 |
1547 |
◊ |
E |
-x,-y,z |
10_444 |
7 |
2 |
1547 |
59.0 |
-0.5 |
0.776 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
[GOL]C:301 |
3 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
8255 |
57.2 |
0.1 |
0.603 |
1 |
0 |
0 |
0.004 |
35 |
44 |
|
[GOL]B:301 |
5 |
1 |
220 |
f |
B |
-x+1/2,y,-z-1/4 |
5_554 |
7 |
2 |
8132 |
55.3 |
-0.0 |
0.588 |
2 |
0 |
0 |
0.025 |
36 |
45 |
|
A |
6 |
3 |
8154 |
◊ |
G |
-y-1/2,x,z-1/4 |
11_444 |
5 |
1 |
1560 |
50.9 |
-0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
37 |
46 |
|
[PEG]C:303 |
6 |
1 |
256 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8132 |
49.3 |
1.7 |
0.268 |
0 |
0 |
0 |
0.000 |
38 |
47 |
|
[CL]D:304 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
8255 |
46.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.069 |
39 |
48 |
|
B |
7 |
2 |
8132 |
◊ |
B |
-y,-x,-z |
8_555 |
7 |
2 |
8132 |
42.8 |
-0.2 |
0.619 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[PEG]C:303 |
3 |
1 |
256 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
8255 |
42.0 |
0.4 |
0.284 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[CL]B:303 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
8132 |
41.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.101 |
42 |
51 |
|
[CL]D:304 |
1 |
1 |
125 |
◊ |
B |
-y,x-1/2,z+1/4 |
3_545 |
8 |
4 |
8132 |
41.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
[PEG]D:307 |
4 |
1 |
255 |
f |
[GOL]C:301 |
x,y,z |
1_555 |
3 |
1 |
222 |
39.3 |
-0.2 |
0.158 |
0 |
0 |
0 |
0.002 |
44 |
53 |
|
[PEG]C:303 |
3 |
1 |
256 |
◊ |
E |
x,y,z |
1_555 |
5 |
2 |
1547 |
37.2 |
0.9 |
0.435 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[CL]D:305 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
8255 |
36.2 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.054 |
46 |
55 |
|
[CA]D:302 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
8255 |
35.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.083 |
47 |
56 |
|
[CL]D:305 |
1 |
1 |
125 |
◊ |
B |
-x,-y,z |
10_444 |
7 |
2 |
8132 |
35.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.041 |
48 |
57 |
|
A |
6 |
3 |
8154 |
◊ |
[CL]D:306 |
-y-1/2,x,z-1/4 |
11_444 |
1 |
1 |
125 |
32.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
58 |
|
[GOL]D:301 |
3 |
1 |
222 |
◊ |
B |
-x,-y,z |
10_444 |
3 |
1 |
8132 |
32.2 |
0.3 |
0.645 |
1 |
0 |
0 |
0.001 |
50 |
59 |
|
[GOL]B:301 |
5 |
1 |
220 |
◊ |
[GOL]B:301 |
-x+1/2,y,-z-1/4 |
5_554 |
4 |
1 |
220 |
31.1 |
-0.2 |
0.484 |
1 |
0 |
0 |
0.006 |
51 |
60 |
|
[GOL]B:302 |
2 |
1 |
220 |
◊ |
[GOL]B:301 |
x,y,z |
1_555 |
3 |
1 |
220 |
29.9 |
-0.0 |
0.541 |
0 |
0 |
0 |
0.000 |
52 |
61 |
|
[PEG]E:701 |
2 |
1 |
258 |
f |
E |
x,y,z |
1_555 |
3 |
1 |
1547 |
27.0 |
0.1 |
0.389 |
0 |
0 |
0 |
0.000 |
53 |
62 |
|
D |
3 |
1 |
8255 |
◊ |
B |
-y,-x,-z |
8_555 |
3 |
1 |
8132 |
26.5 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
54 |
63 |
|
G |
4 |
1 |
1560 |
◊ |
G |
-x,-y,z |
10_444 |
4 |
1 |
1560 |
22.3 |
-0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
55 |
64 |
|
G |
1 |
1 |
1560 |
◊ |
G |
y,x,-z |
15_444 |
2 |
1 |
1560 |
22.1 |
0.9 |
0.944 |
0 |
0 |
0 |
0.000 |
56 |
65 |
|
E |
4 |
2 |
1547 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8140 |
18.9 |
0.3 |
0.808 |
0 |
0 |
0 |
0.000 |
66 |
|
F |
4 |
2 |
1539 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8255 |
18.8 |
-0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
Average: |
18.8 |
0.1 |
0.754 |
0 |
0 |
0 |
0.000 |
57 |
67 |
|
[CA]D:302 |
1 |
1 |
85 |
◊ |
B |
-x,-y,z |
10_444 |
4 |
2 |
8132 |
18.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.029 |
58 |
68 |
|
[CA]D:302 |
1 |
1 |
85 |
◊ |
E |
-x,-y,z |
10_444 |
3 |
2 |
1547 |
10.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.020 |
59 |
69 |
|
[PEG]B:306 |
1 |
1 |
263 |
◊ |
[CL]D:304 |
-y,-x,-z |
8_555 |
1 |
1 |
125 |
10.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
60 |
70 |
|
C |
1 |
1 |
8140 |
◊ |
C |
x,-y-1/2,-z-3/4 |
6_544 |
1 |
1 |
8140 |
8.3 |
-0.3 |
0.271 |
0 |
0 |
0 |
0.000 |
61 |
71 |
|
[CA]D:302 |
1 |
1 |
85 |
f |
[GOL]D:301 |
x,y,z |
1_555 |
1 |
1 |
222 |
7.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.013 |
62 |
72 |
|
B |
2 |
2 |
8132 |
◊ |
A |
-x,-y,z |
10_444 |
2 |
2 |
8154 |
5.5 |
-0.1 |
0.578 |
0 |
0 |
0 |
0.000 |
63 |
73 |
|
[CL]D:305 |
1 |
1 |
125 |
◊ |
E |
-x,-y,z |
10_444 |
1 |
1 |
1547 |
5.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.005 |
64 |
74 |
|
[PEG]B:306 |
1 |
1 |
263 |
◊ |
D |
-y,-x,-z |
8_555 |
2 |
1 |
8255 |
3.8 |
0.2 |
0.468 |
0 |
0 |
0 |
0.000 |
|