| ## |
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 |
75 |
22 |
14695 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
73 |
21 |
15022 |
711.1 |
-4.8 |
0.264 |
5 |
0 |
0 |
0.000 |
| 2 |
2 |
|
A |
67 |
20 |
15022 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
67 |
21 |
14695 |
607.7 |
-4.7 |
0.240 |
5 |
2 |
0 |
0.000 |
| 3 |
3 |
|
A |
55 |
18 |
15022 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
64 |
21 |
14404 |
596.7 |
-7.1 |
0.227 |
7 |
0 |
0 |
0.114 |
| 4 |
4 |
|
C |
60 |
19 |
14417 |
◊ |
B |
x,y,z |
1_555 |
64 |
20 |
14695 |
586.8 |
-3.8 |
0.445 |
5 |
8 |
0 |
0.000 |
5 |
|
D |
65 |
20 |
14404 |
◊ |
A |
x,y,z |
1_555 |
63 |
20 |
15022 |
586.6 |
-5.1 |
0.403 |
6 |
7 |
0 |
0.000 |
| Average: |
586.7 |
-4.5 |
0.424 |
6 |
8 |
0 |
0.000 |
| 5 |
6 |
|
D |
64 |
20 |
14404 |
◊ |
C |
x,y,z |
1_555 |
62 |
20 |
14417 |
577.2 |
-6.2 |
0.293 |
6 |
2 |
0 |
0.000 |
| 6 |
7 |
|
B |
34 |
14 |
14695 |
◊ |
C |
-x+1,y-1/2,-z-1/2 |
3_644 |
32 |
12 |
14417 |
344.5 |
-5.4 |
0.162 |
1 |
0 |
0 |
0.000 |
| 7 |
8 |
|
[ANP]D:402 |
28 |
1 |
595 |
f |
D |
x,y,z |
1_555 |
38 |
17 |
14404 |
315.8 |
-3.0 |
0.515 |
3 |
0 |
0 |
0.083 |
9 |
|
[ANP]A:401 |
26 |
1 |
596 |
f |
A |
x,y,z |
1_555 |
34 |
15 |
15022 |
280.4 |
-2.7 |
0.480 |
1 |
0 |
0 |
0.083 |
| Average: |
298.1 |
-2.8 |
0.498 |
2 |
0 |
0 |
0.083 |
| 8 |
10 |
|
[ANP]C:402 |
24 |
1 |
624 |
f |
C |
x,y,z |
1_555 |
37 |
16 |
14417 |
277.2 |
-3.4 |
0.422 |
1 |
0 |
0 |
0.012 |
| 9 |
11 |
|
[ANP]B:401 |
24 |
1 |
601 |
f |
B |
x,y,z |
1_555 |
35 |
16 |
14695 |
267.8 |
-0.3 |
0.531 |
1 |
0 |
0 |
0.007 |
| 10 |
12 |
|
C |
28 |
8 |
14417 |
◊ |
A |
x,y-1,z |
1_545 |
30 |
8 |
15022 |
261.2 |
0.2 |
0.702 |
4 |
0 |
0 |
0.000 |
| 11 |
13 |
|
C |
24 |
7 |
14417 |
◊ |
A |
-x+1,y-1/2,-z-1/2 |
3_644 |
22 |
8 |
15022 |
215.3 |
-0.1 |
0.654 |
1 |
1 |
0 |
0.000 |
14 |
|
D |
23 |
8 |
14404 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
18 |
8 |
14695 |
193.2 |
-0.0 |
0.652 |
1 |
2 |
0 |
0.000 |
| Average: |
204.2 |
-0.1 |
0.653 |
1 |
2 |
0 |
0.000 |
| 12 |
15 |
|
[PG4]B:407 |
13 |
1 |
414 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
14695 |
198.7 |
3.9 |
0.316 |
6 |
0 |
0 |
0.000 |
| 13 |
16 |
|
D |
26 |
13 |
14404 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
6 |
14695 |
197.7 |
-1.5 |
0.417 |
2 |
0 |
0 |
0.025 |
| 14 |
17 |
|
[PG4]A:406 |
13 |
1 |
403 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
15022 |
183.7 |
4.4 |
0.319 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[GOL]C:401 |
6 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
19 |
10 |
14417 |
112.2 |
1.7 |
0.723 |
5 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[GOL]D:403 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
14404 |
107.4 |
0.6 |
0.695 |
2 |
0 |
0 |
0.004 |
| 17 |
20 |
|
D |
11 |
6 |
14404 |
x |
D |
x-1/2,-y-1/2,-z |
4_445 |
8 |
2 |
14404 |
93.0 |
-1.2 |
0.355 |
0 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[PG4]A:406 |
5 |
1 |
403 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
14404 |
89.4 |
3.6 |
0.582 |
4 |
0 |
0 |
0.000 |
| 19 |
22 |
|
[SO4]D:404 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
14404 |
86.6 |
-10.8 |
0.877 |
3 |
0 |
0 |
0.136 |
| 20 |
23 |
|
[SO4]C:403 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
8 |
3 |
14417 |
80.6 |
-10.3 |
0.873 |
2 |
0 |
0 |
0.036 |
| 21 |
24 |
|
[SO4]A:403 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15022 |
78.1 |
-10.1 |
0.837 |
2 |
0 |
0 |
0.123 |
| 22 |
25 |
|
[SO4]B:403 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14695 |
76.2 |
-9.9 |
0.901 |
4 |
0 |
0 |
0.123 |
| 23 |
26 |
|
[SO4]B:405 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
14695 |
72.4 |
-9.8 |
0.750 |
2 |
0 |
0 |
0.112 |
| 24 |
27 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15022 |
65.6 |
-9.2 |
0.832 |
2 |
0 |
0 |
0.113 |
| 25 |
28 |
|
[SO4]B:404 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
14695 |
62.1 |
-7.8 |
0.854 |
2 |
0 |
0 |
0.092 |
| 26 |
29 |
|
[SO4]A:404 |
4 |
1 |
186 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
14404 |
59.3 |
-7.5 |
0.860 |
2 |
0 |
0 |
0.094 |
| 27 |
30 |
|
D |
8 |
5 |
14404 |
◊ |
[SO4]B:405 |
x-1,y,z |
1_455 |
5 |
1 |
185 |
55.4 |
-7.4 |
0.660 |
1 |
0 |
0 |
0.082 |
| 28 |
31 |
|
[GOL]D:403 |
4 |
1 |
219 |
f |
[PG4]A:406 |
x,y,z |
1_555 |
7 |
1 |
403 |
52.3 |
0.8 |
0.218 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
15022 |
51.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.126 |
33 |
|
[CL]D:405 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
14404 |
50.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.126 |
34 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
14417 |
49.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.126 |
35 |
|
[CL]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
14695 |
49.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.126 |
| Average: |
50.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.126 |
| 30 |
36 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
15022 |
44.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.115 |
37 |
|
[MG]B:406 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14695 |
43.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.115 |
38 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
14417 |
43.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.115 |
39 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
14404 |
38.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.115 |
| Average: |
42.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.115 |
| 31 |
40 |
|
[GOL]C:401 |
4 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
14695 |
41.5 |
1.2 |
0.678 |
1 |
0 |
0 |
0.000 |
| 32 |
41 |
|
[GOL]D:403 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
4 |
4 |
15022 |
41.5 |
1.0 |
0.642 |
0 |
0 |
0 |
0.000 |
| 33 |
42 |
|
[MG]A:402 |
1 |
1 |
98 |
f |
[ANP]A:401 |
x,y,z |
1_555 |
8 |
1 |
596 |
37.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.057 |
43 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
[ANP]C:402 |
x,y,z |
1_555 |
6 |
1 |
624 |
37.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.057 |
44 |
|
[MG]B:406 |
1 |
1 |
98 |
f |
[ANP]B:401 |
x,y,z |
1_555 |
7 |
1 |
601 |
36.8 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
37.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.057 |
| 34 |
45 |
|
[MG]D:401 |
1 |
1 |
98 |
f |
[ANP]D:402 |
x,y,z |
1_555 |
5 |
1 |
595 |
36.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.065 |
| 35 |
46 |
|
[GOL]C:401 |
4 |
1 |
221 |
f |
[SO4]B:403 |
x,y,z |
1_555 |
4 |
1 |
185 |
35.5 |
-4.0 |
0.705 |
2 |
0 |
0 |
0.052 |
| 36 |
47 |
|
[CL]D:405 |
1 |
1 |
125 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
14695 |
27.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.031 |
| 37 |
48 |
|
D |
4 |
1 |
14404 |
◊ |
[PG4]B:407 |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
414 |
16.5 |
0.5 |
0.385 |
0 |
0 |
0 |
0.000 |
| 38 |
49 |
|
[SO4]B:403 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14417 |
9.7 |
-1.0 |
0.817 |
0 |
0 |
0 |
0.000 |
| 39 |
50 |
|
A |
1 |
1 |
15022 |
f |
[PG4]B:407 |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
414 |
7.8 |
0.1 |
0.218 |
0 |
0 |
0 |
0.000 |
|