| ## |
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 |
94 |
29 |
12837 |
◊ |
A |
x,y,z |
1_555 |
87 |
26 |
12957 |
943.8 |
-14.3 |
0.033 |
7 |
0 |
0 |
0.931 |
2 |
|
F |
90 |
27 |
12921 |
◊ |
E |
x,y,z |
1_555 |
89 |
26 |
12845 |
942.4 |
-14.7 |
0.022 |
8 |
0 |
0 |
0.931 |
3 |
|
H |
90 |
28 |
12550 |
◊ |
G |
x,y,z |
1_555 |
88 |
27 |
13556 |
938.4 |
-15.0 |
0.022 |
8 |
0 |
0 |
0.931 |
4 |
|
D |
94 |
28 |
13215 |
◊ |
C |
x,y,z |
1_555 |
87 |
25 |
13499 |
938.1 |
-15.1 |
0.033 |
6 |
0 |
0 |
0.931 |
| Average: |
940.7 |
-14.8 |
0.028 |
7 |
0 |
0 |
0.931 |
| 2 |
5 |
|
F |
69 |
17 |
12921 |
◊ |
F |
-x+1,-y,z |
2_655 |
69 |
17 |
12921 |
636.8 |
-4.0 |
0.482 |
4 |
2 |
0 |
0.111 |
6 |
|
D |
72 |
18 |
13215 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
70 |
18 |
12837 |
636.5 |
-4.0 |
0.516 |
1 |
0 |
0 |
0.111 |
7 |
|
H |
69 |
17 |
12550 |
◊ |
H |
-x+1,-y-1,z |
2_645 |
68 |
17 |
12550 |
598.5 |
-3.6 |
0.472 |
0 |
0 |
0 |
0.111 |
| Average: |
623.9 |
-3.9 |
0.490 |
2 |
1 |
0 |
0.111 |
| 3 |
8 |
|
H |
53 |
16 |
12550 |
◊ |
G |
-x+1,-y-1,z |
2_645 |
49 |
14 |
13556 |
451.4 |
-2.1 |
0.574 |
8 |
2 |
0 |
0.167 |
9 |
|
F |
51 |
15 |
12921 |
◊ |
E |
-x+1,-y,z |
2_655 |
46 |
14 |
12845 |
434.2 |
-1.1 |
0.619 |
7 |
2 |
0 |
0.167 |
10 |
|
C |
47 |
14 |
13499 |
◊ |
B |
-x+1/2,y-1/2,-z+2 |
3_547 |
52 |
16 |
12837 |
423.0 |
-1.0 |
0.679 |
6 |
2 |
0 |
0.167 |
11 |
|
D |
50 |
15 |
13215 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
3_547 |
44 |
12 |
12957 |
409.2 |
-1.3 |
0.643 |
7 |
2 |
0 |
0.167 |
| Average: |
429.5 |
-1.4 |
0.629 |
7 |
2 |
0 |
0.167 |
| 4 |
12 |
|
E |
50 |
19 |
12845 |
◊ |
D |
x,y,z |
1_555 |
42 |
14 |
13215 |
423.0 |
-5.2 |
0.215 |
1 |
0 |
0 |
0.000 |
13 |
|
G |
40 |
12 |
13556 |
◊ |
B |
x,y,z |
1_555 |
46 |
18 |
12837 |
415.0 |
-7.0 |
0.076 |
0 |
0 |
0 |
0.000 |
14 |
|
C |
35 |
11 |
13499 |
◊ |
H |
x-1/2,-y-1/2,-z+2 |
4_447 |
41 |
17 |
12550 |
381.6 |
-5.9 |
0.096 |
0 |
0 |
0 |
0.000 |
15 |
|
A |
44 |
17 |
12957 |
◊ |
F |
x-1/2,-y-1/2,-z+2 |
4_447 |
41 |
12 |
12921 |
379.3 |
-5.3 |
0.163 |
0 |
0 |
0 |
0.000 |
| Average: |
399.7 |
-5.8 |
0.137 |
0 |
0 |
0 |
0.000 |
| 5 |
16 |
|
C |
33 |
12 |
13499 |
◊ |
E |
-x+1/2,y-1/2,-z+2 |
3_547 |
37 |
10 |
12845 |
333.5 |
-0.7 |
0.512 |
5 |
0 |
0 |
0.000 |
17 |
|
G |
34 |
12 |
13556 |
◊ |
A |
-x+1/2,y-1/2,-z+3 |
3_548 |
38 |
11 |
12957 |
333.3 |
-1.2 |
0.486 |
5 |
0 |
0 |
0.000 |
| Average: |
333.4 |
-1.0 |
0.499 |
5 |
0 |
0 |
0.000 |
| 6 |
18 |
|
C |
35 |
12 |
13499 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
12957 |
278.8 |
-5.7 |
0.097 |
1 |
0 |
0 |
0.000 |
19 |
|
E |
27 |
8 |
12845 |
◊ |
G |
x,y,z-1 |
1_554 |
35 |
11 |
13556 |
266.9 |
-5.4 |
0.093 |
0 |
0 |
0 |
0.000 |
20 |
|
H |
30 |
8 |
12550 |
◊ |
F |
x,y,z |
1_555 |
29 |
8 |
12921 |
233.1 |
-4.3 |
0.152 |
2 |
0 |
0 |
0.000 |
21 |
|
D |
29 |
9 |
13215 |
◊ |
B |
x,y,z-1 |
1_554 |
28 |
8 |
12837 |
232.0 |
-4.3 |
0.168 |
2 |
0 |
0 |
0.000 |
| Average: |
252.7 |
-4.9 |
0.128 |
1 |
0 |
0 |
0.000 |
| 7 |
22 |
|
D |
27 |
8 |
13215 |
◊ |
G |
x,y,z-1 |
1_554 |
26 |
8 |
13556 |
214.6 |
-0.8 |
0.628 |
3 |
0 |
0 |
0.000 |
23 |
|
C |
27 |
10 |
13499 |
◊ |
F |
x-1/2,-y-1/2,-z+2 |
4_447 |
29 |
10 |
12921 |
210.1 |
-0.8 |
0.616 |
3 |
0 |
0 |
0.000 |
| Average: |
212.3 |
-0.8 |
0.622 |
3 |
0 |
0 |
0.000 |
| 8 |
24 |
|
[GOL]E:502 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
18 |
12 |
12845 |
136.3 |
-0.6 |
0.514 |
4 |
0 |
0 |
0.120 |
| 9 |
25 |
|
[GOL]A:401 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
12957 |
126.3 |
-1.4 |
0.463 |
1 |
0 |
0 |
0.100 |
| 10 |
26 |
|
[MES]C:501 |
10 |
1 |
334 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
13499 |
113.1 |
3.3 |
0.064 |
0 |
0 |
0 |
0.000 |
| 11 |
27 |
|
[MES]E:501 |
11 |
1 |
334 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
12845 |
111.1 |
2.9 |
0.037 |
0 |
0 |
0 |
0.000 |
28 |
|
[MES]D:501 |
10 |
1 |
335 |
◊ |
B |
x,y,z-1 |
1_554 |
17 |
5 |
12837 |
93.2 |
1.9 |
0.030 |
0 |
0 |
0 |
0.000 |
| Average: |
102.1 |
2.4 |
0.034 |
0 |
0 |
0 |
0.000 |
| 12 |
29 |
|
[MES]E:501 |
11 |
1 |
334 |
◊ |
G |
x,y,z-1 |
1_554 |
15 |
4 |
13556 |
110.2 |
3.1 |
0.038 |
0 |
0 |
0 |
0.000 |
30 |
|
[MES]D:501 |
11 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
13215 |
108.9 |
3.1 |
0.033 |
0 |
0 |
0 |
0.000 |
| Average: |
109.6 |
3.1 |
0.036 |
0 |
0 |
0 |
0.000 |
| 13 |
31 |
|
[MES]F:501 |
10 |
1 |
331 |
◊ |
F |
x,y,z |
1_555 |
16 |
5 |
12921 |
108.9 |
3.1 |
0.057 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
[SO4]C:502 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
12 |
13499 |
108.8 |
-17.0 |
0.686 |
2 |
0 |
0 |
0.503 |
| 15 |
33 |
|
[MES]F:501 |
11 |
1 |
331 |
◊ |
H |
x,y,z |
1_555 |
15 |
5 |
12550 |
107.9 |
3.1 |
0.036 |
0 |
0 |
0 |
0.000 |
| 16 |
34 |
|
[MES]C:501 |
12 |
1 |
334 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
12957 |
105.0 |
2.6 |
0.015 |
0 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[GOL]C:503 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
13499 |
101.5 |
-0.5 |
0.548 |
2 |
0 |
0 |
0.038 |
| 18 |
36 |
|
[GOL]G:503 |
5 |
1 |
217 |
◊ |
G |
x,y,z |
1_555 |
11 |
6 |
13556 |
89.4 |
0.3 |
0.634 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[SO4]G:501 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
12 |
4 |
13556 |
86.0 |
-12.3 |
0.764 |
4 |
0 |
0 |
0.328 |
| 20 |
38 |
|
[CL]G:502 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
13556 |
70.5 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.213 |
| 21 |
39 |
|
[GOL]G:503 |
3 |
1 |
217 |
f |
H |
x,y,z |
1_555 |
6 |
2 |
12550 |
46.4 |
0.0 |
0.509 |
1 |
0 |
0 |
0.100 |
| 22 |
40 |
|
[MES]E:501 |
3 |
1 |
334 |
f |
D |
x,y,z |
1_555 |
5 |
1 |
13215 |
36.6 |
1.1 |
0.374 |
0 |
0 |
0 |
0.000 |
41 |
|
[MES]C:501 |
4 |
1 |
334 |
f |
F |
x-1/2,-y-1/2,-z+2 |
4_447 |
5 |
1 |
12921 |
33.9 |
1.0 |
0.211 |
0 |
0 |
0 |
0.000 |
| Average: |
35.2 |
1.1 |
0.292 |
0 |
0 |
0 |
0.000 |
| 23 |
42 |
|
[GOL]C:503 |
1 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
13215 |
16.1 |
0.3 |
0.612 |
0 |
0 |
0 |
0.000 |
| 24 |
43 |
|
[SO4]G:501 |
1 |
1 |
184 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12550 |
8.7 |
-0.9 |
0.811 |
0 |
0 |
0 |
0.022 |
| 25 |
44 |
|
[MES]D:501 |
1 |
1 |
335 |
f |
G |
x,y,z-1 |
1_554 |
1 |
1 |
13556 |
2.9 |
0.1 |
0.305 |
0 |
0 |
0 |
0.000 |
| 26 |
45 |
|
C |
1 |
1 |
13499 |
f |
[MES]F:501 |
x-1/2,-y-1/2,-z+2 |
4_447 |
1 |
1 |
331 |
1.9 |
0.0 |
0.267 |
0 |
0 |
0 |
0.000 |
|