## |
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 |
|
D |
181 |
47 |
13120 |
◊ |
C |
x,y,z |
1_555 |
177 |
48 |
13248 |
1695.7 |
-32.0 |
0.096 |
11 |
0 |
0 |
0.802 |
2 |
|
B |
183 |
48 |
12685 |
◊ |
A |
x,y,z |
1_555 |
177 |
45 |
12630 |
1650.5 |
-32.1 |
0.110 |
10 |
0 |
0 |
0.802 |
Average: |
1673.1 |
-32.1 |
0.103 |
11 |
0 |
0 |
0.802 |
2 |
3 |
|
D |
160 |
40 |
13120 |
◊ |
B |
x,y,z |
1_555 |
168 |
42 |
12685 |
1532.4 |
-27.2 |
0.179 |
10 |
0 |
0 |
0.640 |
4 |
|
C |
165 |
40 |
13248 |
◊ |
A |
x,y,z |
1_555 |
163 |
41 |
12630 |
1513.1 |
-27.8 |
0.137 |
9 |
1 |
0 |
0.640 |
Average: |
1522.7 |
-27.5 |
0.158 |
10 |
1 |
0 |
0.640 |
3 |
5 |
|
C |
91 |
30 |
13248 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
86 |
28 |
13120 |
759.9 |
-12.1 |
0.397 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
64 |
16 |
13248 |
◊ |
B |
x,y,z |
1_555 |
64 |
16 |
12685 |
623.2 |
-2.2 |
0.840 |
12 |
0 |
0 |
0.078 |
7 |
|
D |
63 |
15 |
13120 |
◊ |
A |
x,y,z |
1_555 |
61 |
14 |
12630 |
609.2 |
-2.1 |
0.859 |
11 |
0 |
0 |
0.078 |
Average: |
616.2 |
-2.2 |
0.849 |
12 |
0 |
0 |
0.078 |
5 |
8 |
|
[NDP]D:301 |
46 |
1 |
889 |
f |
D |
x,y,z |
1_555 |
83 |
34 |
13120 |
597.9 |
-0.3 |
0.777 |
17 |
0 |
0 |
0.320 |
9 |
|
[NDP]C:301 |
46 |
1 |
889 |
f |
C |
x,y,z |
1_555 |
90 |
33 |
13248 |
594.1 |
-0.7 |
0.762 |
14 |
0 |
0 |
0.320 |
10 |
|
[NDP]A:602 |
45 |
1 |
893 |
f |
A |
x,y,z |
1_555 |
85 |
33 |
12630 |
587.1 |
-0.2 |
0.786 |
16 |
0 |
0 |
0.320 |
11 |
|
[NDP]B:602 |
45 |
1 |
893 |
f |
B |
x,y,z |
1_555 |
81 |
33 |
12685 |
586.9 |
-0.1 |
0.782 |
17 |
0 |
0 |
0.320 |
Average: |
591.5 |
-0.3 |
0.777 |
16 |
0 |
0 |
0.320 |
6 |
12 |
|
A |
31 |
11 |
12630 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
8 |
13120 |
288.6 |
-2.8 |
0.644 |
2 |
0 |
0 |
0.000 |
7 |
13 |
|
[6QT]A:601 |
19 |
1 |
433 |
f |
A |
x,y,z |
1_555 |
33 |
14 |
12630 |
260.4 |
-2.6 |
0.644 |
3 |
0 |
0 |
0.123 |
14 |
|
[6QT]B:601 |
19 |
1 |
423 |
f |
B |
x,y,z |
1_555 |
34 |
14 |
12685 |
248.9 |
-3.5 |
0.557 |
2 |
0 |
0 |
0.123 |
Average: |
254.7 |
-3.1 |
0.601 |
3 |
0 |
0 |
0.123 |
8 |
15 |
|
D |
26 |
10 |
13120 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
23 |
9 |
12685 |
184.4 |
-4.0 |
0.380 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
[NDP]B:602 |
16 |
1 |
893 |
f |
[6QT]B:601 |
x,y,z |
1_555 |
13 |
1 |
423 |
117.0 |
-3.4 |
0.389 |
1 |
0 |
0 |
0.113 |
17 |
|
[NDP]A:602 |
16 |
1 |
893 |
f |
[6QT]A:601 |
x,y,z |
1_555 |
13 |
1 |
433 |
114.6 |
-3.5 |
0.377 |
1 |
0 |
0 |
0.113 |
Average: |
115.8 |
-3.4 |
0.383 |
1 |
0 |
0 |
0.113 |
10 |
18 |
|
[EDO]D:304 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
13120 |
111.2 |
2.7 |
0.500 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[PGE]D:302 |
7 |
1 |
261 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
13120 |
98.0 |
2.9 |
0.032 |
2 |
0 |
0 |
0.000 |
12 |
20 |
|
[PEG]C:302 |
7 |
1 |
260 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
13248 |
93.7 |
2.2 |
0.310 |
3 |
0 |
0 |
0.000 |
13 |
21 |
|
[ACT]B:603 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12685 |
85.0 |
-0.9 |
0.706 |
0 |
0 |
0 |
0.017 |
14 |
22 |
|
[GOL]A:603 |
5 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
12 |
2 |
12630 |
78.9 |
0.2 |
0.659 |
2 |
0 |
0 |
0.013 |
15 |
23 |
|
C |
9 |
3 |
13248 |
f |
[EDO]D:305 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
184 |
78.5 |
2.4 |
0.325 |
3 |
0 |
0 |
0.000 |
16 |
24 |
|
[EDO]D:305 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
13120 |
73.3 |
2.7 |
0.331 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[GOL]A:603 |
5 |
1 |
223 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
13248 |
73.2 |
1.3 |
0.682 |
2 |
0 |
0 |
0.000 |
18 |
26 |
|
[EDO]D:303 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
13120 |
63.2 |
1.4 |
0.696 |
1 |
0 |
0 |
0.000 |
19 |
27 |
|
C |
8 |
3 |
13248 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
12685 |
52.3 |
-0.8 |
0.338 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[PEG]C:302 |
4 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
12630 |
47.6 |
1.6 |
0.396 |
0 |
0 |
0 |
0.000 |
21 |
29 |
|
[PGE]D:302 |
4 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
12685 |
46.3 |
1.0 |
0.049 |
0 |
0 |
0 |
0.000 |
22 |
30 |
|
[6QT]A:601 |
3 |
1 |
433 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
13120 |
33.7 |
1.0 |
0.914 |
1 |
0 |
0 |
0.000 |
31 |
|
[6QT]B:601 |
3 |
1 |
423 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13248 |
33.3 |
1.0 |
0.911 |
1 |
0 |
0 |
0.000 |
Average: |
33.5 |
1.0 |
0.912 |
1 |
0 |
0 |
0.000 |
23 |
32 |
|
C |
3 |
2 |
13248 |
◊ |
[NDP]D:301 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
889 |
4.3 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
33 |
|
[NDP]C:301 |
1 |
1 |
889 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
13120 |
3.2 |
-0.0 |
0.483 |
0 |
0 |
0 |
0.000 |
Average: |
3.8 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
|