## |
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 |
|
B |
206 |
52 |
19271 |
◊ |
A |
x,y,z |
1_555 |
220 |
60 |
19457 |
2020.6 |
-20.1 |
0.062 |
22 |
12 |
0 |
0.730 |
2 |
|
F |
202 |
50 |
19066 |
◊ |
E |
x,y,z |
1_555 |
216 |
56 |
19078 |
2009.0 |
-17.6 |
0.135 |
18 |
11 |
0 |
0.730 |
Average: |
2014.8 |
-18.8 |
0.098 |
20 |
12 |
0 |
0.730 |
2 |
3 |
|
F |
181 |
52 |
19066 |
◊ |
A |
x,y,z |
1_555 |
153 |
37 |
19457 |
1695.3 |
-5.7 |
0.432 |
27 |
21 |
0 |
0.985 |
4 |
|
E |
162 |
37 |
19078 |
◊ |
B |
x,y,z |
1_555 |
180 |
50 |
19271 |
1571.2 |
-8.3 |
0.338 |
18 |
27 |
0 |
0.985 |
Average: |
1633.3 |
-7.0 |
0.385 |
23 |
24 |
0 |
0.985 |
3 |
5 |
|
D |
169 |
37 |
8424 |
◊ |
C |
x,y,z |
1_555 |
168 |
36 |
8425 |
1591.6 |
-11.2 |
0.934 |
71 |
0 |
0 |
0.908 |
6 |
|
H |
158 |
37 |
8469 |
◊ |
G |
x,y,z |
1_555 |
163 |
36 |
8452 |
1568.2 |
-10.9 |
0.922 |
76 |
0 |
0 |
0.908 |
Average: |
1579.9 |
-11.1 |
0.928 |
74 |
0 |
0 |
0.908 |
4 |
7 |
|
G |
161 |
19 |
8452 |
◊ |
F |
x,y,z |
1_555 |
156 |
46 |
19066 |
1458.0 |
-22.2 |
0.473 |
28 |
0 |
0 |
0.859 |
8 |
|
C |
157 |
19 |
8425 |
◊ |
B |
x,y,z |
1_555 |
150 |
46 |
19271 |
1447.8 |
-15.5 |
0.630 |
22 |
0 |
0 |
0.859 |
Average: |
1452.9 |
-18.8 |
0.551 |
25 |
0 |
0 |
0.859 |
5 |
9 |
|
D |
152 |
17 |
8424 |
◊ |
A |
x,y,z |
1_555 |
158 |
49 |
19457 |
1438.8 |
-17.5 |
0.595 |
25 |
0 |
0 |
1.000 |
10 |
|
H |
148 |
17 |
8469 |
◊ |
E |
x,y,z |
1_555 |
149 |
45 |
19078 |
1437.3 |
-19.5 |
0.524 |
28 |
0 |
0 |
1.000 |
Average: |
1438.0 |
-18.5 |
0.559 |
27 |
0 |
0 |
1.000 |
6 |
11 |
|
D |
152 |
17 |
8424 |
◊ |
B |
x,y,z |
1_555 |
155 |
47 |
19271 |
1401.8 |
-14.3 |
0.644 |
25 |
0 |
0 |
0.815 |
12 |
|
H |
153 |
18 |
8469 |
◊ |
F |
x,y,z |
1_555 |
167 |
53 |
19066 |
1397.2 |
-16.9 |
0.596 |
24 |
0 |
0 |
0.815 |
Average: |
1399.5 |
-15.6 |
0.620 |
25 |
0 |
0 |
0.815 |
7 |
13 |
|
C |
123 |
16 |
8425 |
◊ |
A |
x,y,z |
1_555 |
119 |
38 |
19457 |
1102.4 |
-14.2 |
0.557 |
16 |
0 |
0 |
0.908 |
14 |
|
G |
121 |
17 |
8452 |
◊ |
E |
x,y,z |
1_555 |
124 |
41 |
19078 |
1082.3 |
-14.5 |
0.555 |
14 |
0 |
0 |
0.908 |
Average: |
1092.3 |
-14.4 |
0.556 |
15 |
0 |
0 |
0.908 |
8 |
15 |
|
A |
56 |
15 |
19457 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
43 |
8 |
19066 |
462.8 |
-1.7 |
0.467 |
6 |
7 |
0 |
0.000 |
9 |
16 |
|
F |
40 |
15 |
19066 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
34 |
9 |
19457 |
336.8 |
-3.1 |
0.287 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
A |
27 |
8 |
19457 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
24 |
8 |
19457 |
243.9 |
-0.5 |
0.483 |
2 |
0 |
0 |
0.000 |
11 |
18 |
|
[UMP]C:107 |
18 |
1 |
429 |
cf |
C |
x,y,z |
1_555 |
25 |
2 |
8425 |
203.4 |
2.9 |
0.781 |
0 |
0 |
0 |
0.000 |
19 |
|
[UMP]G:107 |
16 |
1 |
426 |
cf |
G |
x,y,z |
1_555 |
25 |
2 |
8452 |
200.3 |
3.3 |
0.773 |
0 |
0 |
0 |
0.000 |
Average: |
201.9 |
3.1 |
0.777 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[UMP]G:107 |
11 |
1 |
426 |
◊ |
F |
x,y,z |
1_555 |
19 |
7 |
19066 |
124.0 |
-2.0 |
0.342 |
1 |
0 |
0 |
0.110 |
21 |
|
[UMP]C:107 |
13 |
1 |
429 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
19271 |
122.4 |
-2.3 |
0.307 |
2 |
0 |
0 |
0.110 |
Average: |
123.2 |
-2.2 |
0.324 |
2 |
0 |
0 |
0.110 |
13 |
22 |
|
H |
12 |
2 |
8469 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
14 |
2 |
8452 |
103.4 |
-0.3 |
0.670 |
3 |
0 |
0 |
0.000 |
14 |
23 |
|
C |
11 |
2 |
8425 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
13 |
2 |
8424 |
98.6 |
2.9 |
0.866 |
1 |
0 |
0 |
0.000 |
15 |
24 |
|
D |
11 |
1 |
8424 |
x |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
14 |
1 |
8424 |
93.5 |
1.0 |
0.761 |
0 |
0 |
0 |
0.000 |
16 |
25 |
|
G |
11 |
1 |
8452 |
x |
G |
-x+1/2,-y,z-1/2 |
2_554 |
12 |
1 |
8452 |
89.8 |
2.6 |
0.833 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
C |
10 |
1 |
8425 |
x |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
1 |
8425 |
89.4 |
1.8 |
0.799 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
H |
13 |
1 |
8469 |
x |
H |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
1 |
8469 |
86.7 |
2.3 |
0.842 |
1 |
0 |
0 |
0.000 |
19 |
28 |
|
[UMP]C:107 |
10 |
1 |
429 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
8424 |
77.4 |
1.9 |
0.686 |
2 |
0 |
0 |
0.007 |
29 |
|
[UMP]G:107 |
9 |
1 |
426 |
◊ |
H |
x,y,z |
1_555 |
9 |
3 |
8469 |
76.1 |
1.4 |
0.632 |
4 |
0 |
0 |
0.007 |
Average: |
76.8 |
1.6 |
0.659 |
3 |
0 |
0 |
0.007 |
20 |
30 |
|
[MG]D:5304 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
19457 |
54.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.133 |
21 |
31 |
|
[IOD]F:344 |
1 |
1 |
144 |
f |
F |
x,y,z |
1_555 |
9 |
3 |
19066 |
50.6 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.100 |
32 |
|
[IOD]B:344 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
19271 |
50.0 |
-0.3 |
0.603 |
0 |
0 |
0 |
0.100 |
Average: |
50.3 |
-0.3 |
0.610 |
0 |
0 |
0 |
0.100 |
22 |
33 |
|
D |
7 |
2 |
8424 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
19078 |
50.1 |
-1.1 |
0.488 |
4 |
0 |
0 |
0.053 |
34 |
|
H |
8 |
2 |
8469 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19457 |
46.0 |
-0.8 |
0.553 |
3 |
0 |
0 |
0.053 |
Average: |
48.0 |
-1.0 |
0.521 |
4 |
0 |
0 |
0.053 |
23 |
35 |
|
[MG]A:5302 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
19457 |
45.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.122 |
24 |
36 |
|
[MG]G:5306 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
15 |
2 |
8452 |
43.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.258 |
37 |
|
[MG]C:5308 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
2 |
8425 |
41.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.258 |
Average: |
42.2 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.258 |
25 |
38 |
|
[MG]A:5301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
19457 |
43.4 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.107 |
26 |
39 |
|
[MG]D:5310 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
8424 |
42.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.175 |
27 |
40 |
|
[MG]F:5309 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
19066 |
40.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.138 |
28 |
41 |
|
[MG]F:5309 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
8452 |
39.6 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.095 |
29 |
42 |
|
[IOD]F:344 |
1 |
1 |
144 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
8452 |
38.7 |
1.1 |
0.916 |
0 |
0 |
0 |
0.000 |
43 |
|
[IOD]B:344 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
8425 |
38.0 |
1.1 |
0.911 |
0 |
0 |
0 |
0.000 |
Average: |
38.4 |
1.1 |
0.913 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[MG]F:5307 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
5 |
19066 |
38.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.124 |
31 |
45 |
|
[MG]A:5303 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
19457 |
35.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.068 |
32 |
46 |
|
[MG]D:5305 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
8424 |
35.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.054 |
33 |
47 |
|
[MG]D:5305 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
19457 |
34.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.083 |
34 |
48 |
|
[MG]F:5307 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
8469 |
34.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.094 |
35 |
49 |
|
[MG]A:5301 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
8425 |
28.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.060 |
36 |
50 |
|
[MG]C:5308 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8424 |
27.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.055 |
51 |
|
[MG]G:5306 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
8469 |
23.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.055 |
Average: |
25.3 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.055 |
37 |
52 |
|
F |
5 |
2 |
19066 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
2 |
8425 |
25.1 |
-0.5 |
0.449 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[UMP]C:107 |
2 |
1 |
429 |
◊ |
[IOD]B:344 |
x,y,z |
1_555 |
1 |
1 |
144 |
20.4 |
0.3 |
0.712 |
0 |
0 |
0 |
0.000 |
54 |
|
[UMP]G:107 |
2 |
1 |
426 |
◊ |
[IOD]F:344 |
x,y,z |
1_555 |
1 |
1 |
144 |
16.5 |
0.3 |
0.689 |
0 |
0 |
0 |
0.000 |
Average: |
18.5 |
0.3 |
0.700 |
0 |
0 |
0 |
0.000 |
39 |
55 |
|
C |
2 |
1 |
8425 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
2 |
1 |
19066 |
20.2 |
-0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
[MG]D:5304 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8424 |
19.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.041 |
41 |
57 |
|
[MG]A:5303 |
1 |
1 |
98 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
3 |
2 |
19457 |
13.7 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
58 |
|
[MG]A:5301 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8424 |
13.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.025 |
43 |
59 |
|
D |
1 |
1 |
8424 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
19066 |
3.7 |
-0.3 |
0.307 |
0 |
0 |
0 |
0.003 |
44 |
60 |
|
D |
1 |
1 |
8424 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
8425 |
2.4 |
0.1 |
0.509 |
0 |
0 |
0 |
0.000 |
45 |
61 |
|
[MG]D:5310 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
8425 |
2.3 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.007 |
46 |
62 |
|
G |
1 |
1 |
8452 |
◊ |
H |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
8469 |
0.5 |
0.0 |
0.473 |
0 |
0 |
0 |
0.000 |
|