## |
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 |
165 |
46 |
14781 |
◊ |
A |
x,y,z |
1_555 |
172 |
48 |
14880 |
1617.1 |
-8.4 |
0.258 |
35 |
24 |
0 |
0.307 |
2 |
|
D |
168 |
47 |
14873 |
◊ |
B |
x,y,z |
1_555 |
168 |
47 |
14893 |
1606.4 |
-9.5 |
0.208 |
36 |
23 |
0 |
0.307 |
Average: |
1611.8 |
-8.9 |
0.233 |
36 |
24 |
0 |
0.307 |
2 |
3 |
|
B |
166 |
38 |
14893 |
◊ |
A |
x,y,z |
1_555 |
170 |
39 |
14880 |
1603.8 |
-7.0 |
0.310 |
26 |
24 |
0 |
0.264 |
4 |
|
D |
163 |
38 |
14873 |
◊ |
C |
x,y,z |
1_555 |
166 |
38 |
14781 |
1594.9 |
-6.5 |
0.333 |
28 |
24 |
0 |
0.264 |
Average: |
1599.3 |
-6.7 |
0.321 |
27 |
24 |
0 |
0.264 |
3 |
5 |
|
C |
60 |
14 |
14781 |
◊ |
B |
x,y,z |
1_555 |
62 |
14 |
14893 |
496.5 |
-7.7 |
0.059 |
2 |
0 |
0 |
0.066 |
6 |
|
D |
63 |
14 |
14873 |
◊ |
A |
x,y,z |
1_555 |
61 |
14 |
14880 |
492.3 |
-7.1 |
0.087 |
2 |
0 |
0 |
0.066 |
Average: |
494.4 |
-7.4 |
0.073 |
2 |
0 |
0 |
0.066 |
4 |
7 |
|
A |
46 |
12 |
14880 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
47 |
13 |
14893 |
406.9 |
-1.3 |
0.480 |
5 |
4 |
0 |
0.049 |
5 |
8 |
|
B |
27 |
8 |
14893 |
◊ |
C |
x,y,z-1 |
1_554 |
25 |
9 |
14781 |
236.7 |
-0.6 |
0.353 |
2 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
33 |
11 |
14873 |
◊ |
C |
-x,-y-1,z |
2_545 |
29 |
12 |
14781 |
233.5 |
1.0 |
0.713 |
1 |
2 |
0 |
0.000 |
7 |
10 |
|
B |
18 |
5 |
14893 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
15 |
5 |
14880 |
161.6 |
0.7 |
0.681 |
3 |
0 |
0 |
0.000 |
8 |
11 |
|
D |
10 |
4 |
14873 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
24 |
8 |
14880 |
159.5 |
1.1 |
0.755 |
2 |
1 |
0 |
0.000 |
9 |
12 |
|
[XX3]D:600 |
13 |
1 |
317 |
f |
D |
x,y,z |
1_555 |
30 |
14 |
14873 |
150.8 |
-0.4 |
0.043 |
6 |
0 |
0 |
0.065 |
13 |
|
[XX3]B:600 |
12 |
1 |
316 |
f |
B |
x,y,z |
1_555 |
30 |
14 |
14893 |
148.2 |
-0.4 |
0.052 |
7 |
0 |
0 |
0.065 |
Average: |
149.5 |
-0.4 |
0.048 |
7 |
0 |
0 |
0.065 |
10 |
14 |
|
C |
17 |
5 |
14781 |
◊ |
D |
x-1/2,-y-1/2,-z+1 |
4_446 |
16 |
6 |
14873 |
147.6 |
-0.8 |
0.436 |
0 |
1 |
0 |
0.000 |
11 |
15 |
|
[XXP]A:600 |
13 |
1 |
303 |
f |
A |
x,y,z |
1_555 |
30 |
14 |
14880 |
144.3 |
1.0 |
0.102 |
5 |
0 |
0 |
0.015 |
12 |
16 |
|
[GOL]B:806 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
18 |
11 |
14893 |
135.2 |
1.6 |
0.741 |
3 |
0 |
0 |
0.000 |
13 |
17 |
|
[XX2]C:601 |
11 |
1 |
291 |
f |
C |
x,y,z |
1_555 |
30 |
15 |
14781 |
127.7 |
2.4 |
0.055 |
3 |
0 |
0 |
0.000 |
14 |
18 |
|
[GOL]C:808 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
9 |
14781 |
113.3 |
-0.1 |
0.536 |
1 |
0 |
0 |
0.007 |
15 |
19 |
|
[GOL]C:807 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
14781 |
110.3 |
0.3 |
0.644 |
4 |
0 |
0 |
0.017 |
16 |
20 |
|
[GOL]A:801 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
14880 |
109.8 |
0.5 |
0.678 |
3 |
0 |
0 |
0.025 |
21 |
|
[GOL]D:803 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
14873 |
107.6 |
-0.3 |
0.514 |
3 |
0 |
0 |
0.025 |
22 |
|
[GOL]B:802 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
14893 |
106.0 |
0.4 |
0.657 |
3 |
0 |
0 |
0.025 |
Average: |
107.8 |
0.2 |
0.616 |
3 |
0 |
0 |
0.025 |
17 |
23 |
|
[GOL]B:813 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
14893 |
107.3 |
-0.2 |
0.529 |
2 |
0 |
0 |
0.013 |
18 |
24 |
|
[GOL]D:805 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
14873 |
106.6 |
0.0 |
0.547 |
2 |
0 |
0 |
0.010 |
19 |
25 |
|
[GOL]B:812 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
14893 |
104.4 |
0.0 |
0.554 |
1 |
0 |
0 |
0.005 |
20 |
26 |
|
[GOL]A:811 |
6 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
14880 |
85.9 |
-1.3 |
0.392 |
1 |
0 |
0 |
0.021 |
21 |
27 |
|
[GOL]C:810 |
6 |
1 |
210 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
14781 |
85.0 |
-1.0 |
0.485 |
1 |
0 |
0 |
0.016 |
22 |
28 |
|
[GOL]B:809 |
6 |
1 |
209 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
14893 |
84.9 |
-1.5 |
0.417 |
0 |
0 |
0 |
0.018 |
23 |
29 |
|
[GOL]B:804 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
14893 |
83.8 |
-1.3 |
0.372 |
1 |
0 |
0 |
0.021 |
24 |
30 |
|
B |
4 |
2 |
14893 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
12 |
3 |
14880 |
78.2 |
0.9 |
0.794 |
1 |
1 |
0 |
0.000 |
25 |
31 |
|
[GOL]A:801 |
5 |
1 |
222 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
14781 |
57.1 |
-0.4 |
0.494 |
1 |
0 |
0 |
0.017 |
32 |
|
[GOL]B:802 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
14873 |
57.0 |
-0.6 |
0.454 |
1 |
0 |
0 |
0.017 |
33 |
|
[GOL]D:803 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
14893 |
54.4 |
-0.3 |
0.543 |
1 |
0 |
0 |
0.017 |
Average: |
56.2 |
-0.4 |
0.497 |
1 |
0 |
0 |
0.017 |
26 |
34 |
|
[GOL]C:807 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
14880 |
55.4 |
-0.4 |
0.477 |
1 |
0 |
0 |
0.010 |
27 |
35 |
|
[GOL]B:804 |
5 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
14873 |
54.1 |
0.0 |
0.616 |
1 |
0 |
0 |
0.004 |
28 |
36 |
|
[FE2]A:500 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
14880 |
52.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.257 |
37 |
|
[FE2]D:500 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
15 |
10 |
14873 |
50.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.257 |
38 |
|
[FE2]B:500 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
13 |
9 |
14893 |
49.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.257 |
39 |
|
[FE2]C:500 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
9 |
14781 |
44.0 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.257 |
Average: |
49.0 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.257 |
29 |
40 |
|
[CL]B:700 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
14893 |
51.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.201 |
41 |
|
[CL]D:700 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14873 |
50.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.201 |
42 |
|
[CL]A:700 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
14880 |
49.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.201 |
43 |
|
[CL]C:700 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
14781 |
48.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.201 |
Average: |
50.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.201 |
30 |
44 |
|
[XX3]B:600 |
4 |
1 |
316 |
f |
[FE2]B:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
41.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.108 |
45 |
|
[XX3]D:600 |
3 |
1 |
317 |
f |
[FE2]D:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
40.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.108 |
Average: |
41.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.108 |
31 |
46 |
|
[XXP]A:600 |
5 |
1 |
303 |
f |
[FE2]A:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
39.3 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.059 |
32 |
47 |
|
[XXP]A:600 |
4 |
1 |
303 |
f |
[CL]A:700 |
x,y,z |
1_555 |
1 |
1 |
125 |
38.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.045 |
33 |
48 |
|
D |
4 |
2 |
14873 |
◊ |
B |
-x,-y-1,z |
2_545 |
2 |
1 |
14893 |
38.7 |
0.7 |
0.846 |
1 |
2 |
0 |
0.000 |
34 |
49 |
|
[XX3]B:600 |
5 |
1 |
316 |
f |
[CL]B:700 |
x,y,z |
1_555 |
1 |
1 |
125 |
38.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.063 |
50 |
|
[XX3]D:600 |
6 |
1 |
317 |
f |
[CL]D:700 |
x,y,z |
1_555 |
1 |
1 |
125 |
37.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
38.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.063 |
35 |
51 |
|
[OXY]C:600 |
2 |
1 |
122 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
14781 |
38.7 |
-0.3 |
0.042 |
2 |
0 |
0 |
0.014 |
36 |
52 |
|
[CA]B:701 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
14893 |
37.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.143 |
53 |
|
A |
8 |
4 |
14880 |
◊ |
[CA]B:701 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
85 |
36.1 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.143 |
Average: |
36.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.143 |
37 |
54 |
|
[XX2]C:601 |
5 |
1 |
291 |
f |
[CL]C:700 |
x,y,z |
1_555 |
1 |
1 |
125 |
35.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.043 |
38 |
55 |
|
[XX2]C:601 |
4 |
1 |
291 |
f |
[FE2]C:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
33.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.037 |
39 |
56 |
|
[OXY]C:600 |
2 |
1 |
122 |
f |
[XX2]C:601 |
x,y,z |
1_555 |
6 |
1 |
291 |
26.4 |
0.9 |
0.012 |
0 |
0 |
0 |
0.000 |
40 |
57 |
|
[GOL]D:803 |
3 |
1 |
220 |
◊ |
[GOL]B:802 |
x,y,z |
1_555 |
5 |
1 |
218 |
23.9 |
-0.7 |
0.438 |
0 |
0 |
0 |
0.007 |
41 |
58 |
|
[OXY]C:600 |
2 |
1 |
122 |
f |
[FE2]C:500 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.024 |
42 |
59 |
|
[GOL]C:807 |
3 |
1 |
220 |
◊ |
[GOL]A:801 |
x,y,z |
1_555 |
3 |
1 |
222 |
22.8 |
-0.6 |
0.458 |
0 |
0 |
0 |
0.007 |
43 |
60 |
|
[GOL]B:809 |
3 |
1 |
209 |
f |
[GOL]B:804 |
x,y,z |
1_555 |
2 |
1 |
217 |
22.6 |
0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
[GOL]A:811 |
2 |
1 |
213 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14781 |
21.9 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
45 |
62 |
|
[GOL]B:809 |
2 |
1 |
209 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14873 |
19.1 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
46 |
63 |
|
[GOL]C:810 |
3 |
1 |
210 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14880 |
18.8 |
0.0 |
0.680 |
0 |
0 |
0 |
0.000 |
47 |
64 |
|
A |
1 |
1 |
14880 |
◊ |
A |
-x,-y,z |
2_555 |
1 |
1 |
14880 |
6.4 |
0.2 |
0.821 |
0 |
0 |
0 |
0.000 |
|