## |
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 |
248 |
67 |
13153 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
242 |
65 |
13061 |
2409.2 |
-45.7 |
0.000 |
23 |
0 |
0 |
0.493 |
2 |
|
B |
247 |
66 |
13760 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
246 |
68 |
13760 |
2398.3 |
-46.7 |
0.000 |
24 |
0 |
0 |
0.493 |
Average: |
2403.8 |
-46.2 |
0.000 |
24 |
0 |
0 |
0.493 |
2 |
3 |
|
B |
115 |
28 |
13760 |
◊ |
B |
y,x,-z+1 |
7_556 |
115 |
28 |
13760 |
1059.9 |
1.0 |
0.867 |
16 |
12 |
0 |
0.000 |
3 |
4 |
|
B |
87 |
24 |
13760 |
◊ |
A |
x,y,z |
1_555 |
84 |
23 |
13061 |
808.8 |
-1.0 |
0.748 |
10 |
1 |
0 |
0.082 |
5 |
|
C |
80 |
23 |
13153 |
◊ |
A |
x,y,z |
1_555 |
89 |
24 |
13061 |
801.0 |
-0.3 |
0.754 |
12 |
4 |
0 |
0.082 |
6 |
|
C |
86 |
24 |
13153 |
◊ |
B |
x,y,z |
1_555 |
83 |
22 |
13760 |
794.2 |
-1.3 |
0.705 |
10 |
1 |
0 |
0.082 |
Average: |
801.3 |
-0.9 |
0.736 |
11 |
2 |
0 |
0.082 |
4 |
7 |
|
C |
70 |
20 |
13153 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
68 |
20 |
13153 |
539.1 |
-0.6 |
0.744 |
4 |
0 |
0 |
0.016 |
8 |
|
B |
71 |
20 |
13760 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
65 |
20 |
13061 |
533.4 |
-0.5 |
0.785 |
4 |
0 |
0 |
0.016 |
Average: |
536.2 |
-0.5 |
0.764 |
4 |
0 |
0 |
0.016 |
5 |
9 |
|
C |
50 |
14 |
13153 |
◊ |
A |
-y+1/2,x+1/2,z+1/4 |
3_555 |
48 |
15 |
13061 |
437.9 |
1.4 |
0.795 |
10 |
8 |
0 |
0.000 |
6 |
10 |
|
[PLP]B:913 |
15 |
1 |
387 |
cf |
B |
x,y,z |
1_555 |
38 |
19 |
13760 |
245.5 |
0.2 |
0.617 |
9 |
0 |
0 |
0.060 |
11 |
|
[PLP]C:1413 |
15 |
1 |
384 |
cf |
C |
x,y,z |
1_555 |
39 |
19 |
13153 |
244.3 |
0.2 |
0.609 |
9 |
0 |
0 |
0.060 |
12 |
|
[PLP]A:413 |
15 |
1 |
381 |
cf |
A |
x,y,z |
1_555 |
36 |
18 |
13061 |
243.2 |
1.0 |
0.665 |
9 |
0 |
0 |
0.060 |
Average: |
244.3 |
0.4 |
0.630 |
9 |
0 |
0 |
0.060 |
7 |
13 |
|
[MPD]C:1414 |
7 |
1 |
275 |
f |
C |
x,y,z |
1_555 |
22 |
11 |
13153 |
143.5 |
-8.3 |
0.770 |
1 |
0 |
0 |
0.149 |
14 |
|
[MPD]A:414 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
13061 |
141.9 |
-8.2 |
0.780 |
0 |
0 |
0 |
0.149 |
15 |
|
[MPD]B:914 |
7 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
13760 |
136.7 |
-7.6 |
0.771 |
0 |
0 |
0 |
0.149 |
Average: |
140.7 |
-8.0 |
0.774 |
0 |
0 |
0 |
0.149 |
8 |
16 |
|
[MPD]B:915 |
7 |
1 |
274 |
f |
B |
x,y,z |
1_555 |
25 |
7 |
13760 |
132.8 |
-8.8 |
0.674 |
0 |
0 |
0 |
0.129 |
9 |
17 |
|
[MPD]A:415 |
6 |
1 |
272 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
13061 |
98.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.050 |
10 |
18 |
|
C |
16 |
5 |
13153 |
◊ |
[MPD]A:415 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
6 |
1 |
272 |
91.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[MPD]A:414 |
6 |
1 |
273 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
4 |
13153 |
66.9 |
-4.0 |
0.000 |
1 |
0 |
0 |
0.077 |
20 |
|
[MPD]C:1414 |
6 |
1 |
275 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
4 |
13061 |
66.2 |
-3.9 |
0.000 |
1 |
0 |
0 |
0.077 |
21 |
|
[MPD]B:914 |
6 |
1 |
274 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
9 |
4 |
13760 |
61.6 |
-3.5 |
0.000 |
1 |
0 |
0 |
0.077 |
Average: |
64.9 |
-3.8 |
0.000 |
1 |
0 |
0 |
0.077 |
12 |
22 |
|
[CL]B:920 |
1 |
1 |
125 |
f |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
4 |
13061 |
44.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.099 |
23 |
|
[CL]A:420 |
1 |
1 |
125 |
f |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
11 |
4 |
13153 |
42.9 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.099 |
24 |
|
[CL]A:1420 |
1 |
1 |
125 |
f |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
11 |
4 |
13760 |
42.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
43.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.099 |
13 |
25 |
|
[MPD]B:915 |
3 |
1 |
274 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
8 |
4 |
13760 |
43.9 |
-2.6 |
0.000 |
1 |
0 |
0 |
0.045 |
14 |
26 |
|
[CL]A:420 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
13153 |
40.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.060 |
27 |
|
[CL]A:1420 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
13061 |
40.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.060 |
28 |
|
[CL]B:920 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13760 |
38.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
39.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.060 |
15 |
29 |
|
[MPD]C:1414 |
4 |
1 |
275 |
f |
[PLP]C:1413 |
x,y,z |
1_555 |
7 |
1 |
384 |
34.4 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
30 |
|
[MPD]A:414 |
4 |
1 |
273 |
f |
[PLP]A:413 |
x,y,z |
1_555 |
7 |
1 |
381 |
34.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
31 |
|
[MPD]B:914 |
3 |
1 |
274 |
f |
[PLP]B:913 |
x,y,z |
1_555 |
7 |
1 |
387 |
33.3 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
34.0 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
16 |
32 |
|
[CL]A:1420 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
13760 |
32.6 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.055 |
33 |
|
[CL]B:920 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
13153 |
32.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.055 |
34 |
|
[CL]A:420 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
13061 |
32.1 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
32.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.055 |
17 |
35 |
|
[MPD]B:915 |
2 |
1 |
274 |
f |
[MPD]B:914 |
x,y,z |
1_555 |
3 |
1 |
274 |
28.5 |
-2.7 |
0.000 |
1 |
0 |
0 |
0.046 |
|