| ## |
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 |
|
H |
198 |
60 |
11485 |
◊ |
B |
x,y,z |
1_555 |
203 |
61 |
11770 |
1868.9 |
-25.5 |
0.079 |
17 |
0 |
0 |
1.000 |
| 2 |
2 |
|
J |
192 |
58 |
11802 |
◊ |
D |
x,y,z |
1_555 |
200 |
56 |
11608 |
1853.9 |
-26.1 |
0.093 |
21 |
2 |
0 |
1.000 |
3 |
|
L |
192 |
55 |
11831 |
◊ |
F |
x,y,z |
1_555 |
198 |
57 |
12229 |
1813.7 |
-23.1 |
0.168 |
24 |
2 |
0 |
1.000 |
4 |
|
I |
190 |
58 |
11468 |
◊ |
C |
x,y,z |
1_555 |
191 |
54 |
11603 |
1747.2 |
-22.0 |
0.122 |
16 |
0 |
0 |
1.000 |
5 |
|
G |
183 |
56 |
11571 |
◊ |
A |
x,y,z |
1_555 |
200 |
60 |
11532 |
1738.3 |
-22.7 |
0.163 |
19 |
2 |
0 |
1.000 |
6 |
|
K |
181 |
52 |
11331 |
◊ |
E |
x,y,z |
1_555 |
189 |
53 |
11512 |
1690.6 |
-23.6 |
0.077 |
16 |
1 |
0 |
1.000 |
| Average: |
1768.7 |
-23.5 |
0.125 |
19 |
1 |
0 |
1.000 |
| 3 |
7 |
|
Q |
82 |
25 |
9002 |
◊ |
O |
x,y,z |
1_555 |
87 |
24 |
8797 |
845.8 |
-1.7 |
0.617 |
15 |
7 |
0 |
0.004 |
| 4 |
8 |
|
I |
74 |
25 |
11468 |
◊ |
H |
x,y,z |
1_555 |
83 |
31 |
11485 |
719.3 |
-0.6 |
0.835 |
14 |
0 |
0 |
0.003 |
| 5 |
9 |
|
L |
69 |
15 |
11831 |
◊ |
R |
x,y,z |
1_555 |
60 |
20 |
8474 |
589.5 |
-5.0 |
0.491 |
8 |
0 |
0 |
0.016 |
10 |
|
H |
66 |
18 |
11485 |
◊ |
N |
x,y,z |
1_555 |
62 |
21 |
8650 |
588.3 |
-5.2 |
0.384 |
7 |
0 |
0 |
0.016 |
11 |
|
I |
73 |
17 |
11468 |
◊ |
O |
x,y,z |
1_555 |
59 |
22 |
8797 |
575.5 |
-5.7 |
0.394 |
6 |
0 |
0 |
0.016 |
12 |
|
K |
72 |
18 |
11331 |
◊ |
Q |
x,y,z |
1_555 |
59 |
21 |
9002 |
569.8 |
-5.6 |
0.379 |
6 |
0 |
0 |
0.016 |
| Average: |
580.8 |
-5.4 |
0.412 |
7 |
0 |
0 |
0.016 |
| 6 |
13 |
|
J |
62 |
17 |
11802 |
◊ |
P |
x,y,z |
1_555 |
56 |
19 |
8858 |
571.7 |
-6.1 |
0.338 |
6 |
0 |
0 |
0.203 |
14 |
|
G |
63 |
15 |
11571 |
◊ |
M |
x,y,z |
1_555 |
56 |
21 |
8745 |
568.5 |
-5.4 |
0.402 |
8 |
0 |
0 |
0.203 |
| Average: |
570.1 |
-5.7 |
0.370 |
7 |
0 |
0 |
0.203 |
| 7 |
15 |
|
R |
55 |
18 |
8474 |
◊ |
N |
-x+1,y-1/2,-z+1/2 |
3_645 |
55 |
17 |
8650 |
544.6 |
-5.1 |
0.297 |
6 |
1 |
0 |
0.004 |
| 8 |
16 |
|
E |
45 |
11 |
11512 |
◊ |
M |
-x+1,y-1/2,-z+1/2 |
3_645 |
46 |
15 |
8745 |
393.3 |
1.7 |
0.748 |
6 |
4 |
0 |
0.000 |
| 9 |
17 |
|
E |
40 |
12 |
11512 |
◊ |
Q |
x,y,z |
1_555 |
43 |
13 |
9002 |
385.0 |
-4.4 |
0.261 |
3 |
0 |
0 |
0.005 |
18 |
|
F |
43 |
9 |
12229 |
◊ |
R |
x,y,z |
1_555 |
41 |
13 |
8474 |
354.7 |
-4.4 |
0.300 |
2 |
0 |
0 |
0.005 |
| Average: |
369.9 |
-4.4 |
0.280 |
3 |
0 |
0 |
0.005 |
| 10 |
19 |
|
B |
39 |
9 |
11770 |
◊ |
N |
x,y,z |
1_555 |
44 |
14 |
8650 |
380.5 |
-3.7 |
0.320 |
3 |
0 |
0 |
0.005 |
20 |
|
C |
40 |
10 |
11603 |
◊ |
O |
x,y,z |
1_555 |
39 |
13 |
8797 |
337.9 |
-4.8 |
0.211 |
3 |
0 |
0 |
0.005 |
| Average: |
359.2 |
-4.2 |
0.266 |
3 |
0 |
0 |
0.005 |
| 11 |
21 |
|
D |
38 |
9 |
11608 |
◊ |
P |
x,y,z |
1_555 |
39 |
13 |
8858 |
371.6 |
-3.5 |
0.344 |
4 |
0 |
0 |
0.115 |
22 |
|
A |
38 |
10 |
11532 |
◊ |
M |
x,y,z |
1_555 |
38 |
13 |
8745 |
364.0 |
-3.7 |
0.299 |
3 |
0 |
0 |
0.115 |
| Average: |
367.8 |
-3.6 |
0.321 |
4 |
0 |
0 |
0.115 |
| 12 |
23 |
|
P |
29 |
10 |
8858 |
◊ |
O |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
10 |
8797 |
312.1 |
-2.4 |
0.373 |
2 |
4 |
0 |
0.000 |
24 |
|
N |
27 |
10 |
8650 |
◊ |
M |
x,y,z |
1_555 |
30 |
10 |
8745 |
309.3 |
-2.6 |
0.337 |
2 |
4 |
0 |
0.000 |
| Average: |
310.7 |
-2.5 |
0.355 |
2 |
4 |
0 |
0.000 |
| 13 |
25 |
|
B |
38 |
12 |
11770 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
12 |
11603 |
289.1 |
-0.3 |
0.660 |
1 |
0 |
0 |
0.000 |
| 14 |
26 |
|
G |
34 |
16 |
11571 |
◊ |
J |
x-1,y,z |
1_455 |
22 |
6 |
11802 |
272.0 |
-0.8 |
0.738 |
4 |
0 |
0 |
0.000 |
| 15 |
27 |
|
B |
27 |
6 |
11770 |
◊ |
Q |
x-1,y,z |
1_455 |
33 |
10 |
9002 |
265.7 |
-0.8 |
0.540 |
2 |
0 |
0 |
0.000 |
| 16 |
28 |
|
P |
26 |
6 |
8858 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
31 |
12 |
12229 |
264.3 |
-1.2 |
0.492 |
4 |
0 |
0 |
0.000 |
| 17 |
29 |
|
P |
30 |
14 |
8858 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
28 |
9 |
12229 |
256.4 |
3.6 |
0.909 |
2 |
3 |
0 |
0.000 |
| 18 |
30 |
|
L |
27 |
9 |
11831 |
◊ |
K |
x,y,z |
1_555 |
33 |
13 |
11331 |
244.4 |
-1.5 |
0.649 |
2 |
0 |
0 |
0.000 |
| 19 |
31 |
|
P |
25 |
9 |
8858 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
24 |
8 |
11608 |
237.9 |
-0.2 |
0.431 |
1 |
0 |
0 |
0.000 |
| 20 |
32 |
|
G |
25 |
8 |
11571 |
◊ |
N |
x,y,z |
1_555 |
24 |
9 |
8650 |
235.3 |
-1.4 |
0.563 |
3 |
0 |
0 |
0.000 |
| 21 |
33 |
|
H |
24 |
10 |
11485 |
◊ |
M |
x,y,z |
1_555 |
24 |
8 |
8745 |
233.2 |
-1.1 |
0.551 |
4 |
0 |
0 |
0.000 |
34 |
|
P |
25 |
9 |
8858 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
25 |
10 |
11468 |
228.6 |
-0.7 |
0.634 |
4 |
0 |
0 |
0.000 |
| Average: |
230.9 |
-0.9 |
0.593 |
4 |
0 |
0 |
0.000 |
| 22 |
35 |
|
J |
25 |
9 |
11802 |
◊ |
O |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
8 |
8797 |
232.4 |
-0.7 |
0.637 |
4 |
0 |
0 |
0.000 |
| 23 |
36 |
|
F |
25 |
10 |
12229 |
◊ |
E |
x-1,y,z |
1_455 |
32 |
11 |
11512 |
228.8 |
1.2 |
0.785 |
4 |
0 |
0 |
0.000 |
| 24 |
37 |
|
G |
23 |
8 |
11571 |
◊ |
D |
x-1,y,z |
1_455 |
30 |
8 |
11608 |
208.3 |
0.9 |
0.729 |
6 |
0 |
0 |
0.000 |
| 25 |
38 |
|
M |
26 |
7 |
8745 |
◊ |
R |
-x+1/2,-y,z-1/2 |
2_554 |
25 |
7 |
8474 |
202.6 |
-1.3 |
0.457 |
1 |
2 |
0 |
0.000 |
| 26 |
39 |
|
A |
23 |
9 |
11532 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
6 |
11603 |
190.7 |
0.2 |
0.651 |
3 |
0 |
0 |
0.000 |
| 27 |
40 |
|
L |
22 |
10 |
11831 |
◊ |
M |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
8 |
8745 |
187.4 |
1.7 |
0.838 |
2 |
3 |
0 |
0.000 |
| 28 |
41 |
|
B |
21 |
8 |
11770 |
◊ |
Q |
x,y,z |
1_555 |
19 |
7 |
9002 |
176.2 |
-1.3 |
0.445 |
2 |
3 |
0 |
0.001 |
| 29 |
42 |
|
J |
16 |
7 |
11802 |
◊ |
K |
-x+3/2,-y,z-1/2 |
2_654 |
24 |
8 |
11331 |
172.7 |
0.9 |
0.846 |
3 |
1 |
0 |
0.000 |
| 30 |
43 |
|
J |
13 |
6 |
11802 |
◊ |
G |
x,y,z |
1_555 |
17 |
7 |
11571 |
165.7 |
-0.3 |
0.701 |
3 |
0 |
0 |
0.000 |
| 31 |
44 |
|
R |
15 |
7 |
8474 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
18 |
8 |
11603 |
162.1 |
-0.7 |
0.484 |
1 |
0 |
0 |
0.000 |
| 32 |
45 |
|
[PEG]A:701 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
18 |
11 |
11532 |
154.3 |
2.8 |
0.326 |
3 |
0 |
0 |
0.000 |
| 33 |
46 |
|
B |
13 |
6 |
11770 |
◊ |
A |
x,y,z |
1_555 |
15 |
7 |
11532 |
148.1 |
1.0 |
0.784 |
4 |
0 |
0 |
0.000 |
| 34 |
47 |
|
L |
19 |
5 |
11831 |
◊ |
O |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
7 |
8797 |
143.6 |
-0.4 |
0.605 |
1 |
0 |
0 |
0.000 |
| 35 |
48 |
|
J |
14 |
3 |
11802 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
3 |
12229 |
127.8 |
0.5 |
0.763 |
1 |
2 |
0 |
0.000 |
| 36 |
49 |
|
A |
17 |
5 |
11532 |
◊ |
N |
x-1,y,z |
1_455 |
10 |
3 |
8650 |
120.3 |
-2.3 |
0.240 |
0 |
0 |
0 |
0.000 |
| 37 |
50 |
|
G |
14 |
5 |
11571 |
◊ |
O |
-x+1,y-1/2,-z+1/2 |
3_645 |
12 |
4 |
8797 |
113.1 |
1.1 |
0.802 |
2 |
0 |
0 |
0.000 |
51 |
|
J |
1 |
1 |
11802 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
8650 |
3.8 |
0.0 |
0.522 |
0 |
0 |
0 |
0.000 |
| Average: |
58.5 |
0.5 |
0.662 |
1 |
0 |
0 |
0.000 |
| 38 |
52 |
|
A |
12 |
6 |
11532 |
◊ |
M |
x-1/2,-y+1/2,-z |
4_455 |
12 |
3 |
8745 |
106.8 |
0.2 |
0.662 |
2 |
0 |
0 |
0.000 |
| 39 |
53 |
|
D |
11 |
4 |
11608 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
4 |
11603 |
87.1 |
-1.3 |
0.358 |
0 |
0 |
0 |
0.000 |
| 40 |
54 |
|
D |
9 |
5 |
11608 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
11770 |
69.7 |
-0.6 |
0.471 |
0 |
0 |
0 |
0.000 |
| 41 |
55 |
|
G |
7 |
2 |
11571 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
11770 |
68.0 |
0.8 |
0.790 |
0 |
0 |
0 |
0.000 |
| 42 |
56 |
|
D |
9 |
2 |
11608 |
◊ |
N |
x,y,z |
1_555 |
6 |
3 |
8650 |
67.7 |
-0.8 |
0.425 |
0 |
0 |
0 |
0.000 |
57 |
|
A |
4 |
1 |
11532 |
◊ |
O |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
8797 |
29.7 |
-0.5 |
0.174 |
0 |
0 |
0 |
0.000 |
| Average: |
48.7 |
-0.6 |
0.299 |
0 |
0 |
0 |
0.000 |
| 43 |
58 |
|
P |
8 |
4 |
8858 |
◊ |
Q |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
2 |
9002 |
63.5 |
-0.2 |
0.583 |
0 |
0 |
0 |
0.000 |
| 44 |
59 |
|
L |
13 |
4 |
11831 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
11512 |
63.0 |
1.1 |
0.780 |
1 |
0 |
0 |
0.000 |
| 45 |
60 |
|
N |
8 |
2 |
8650 |
◊ |
K |
-x+3/2,-y,z-1/2 |
2_654 |
7 |
4 |
11331 |
62.1 |
1.0 |
0.736 |
0 |
0 |
0 |
0.000 |
| 46 |
61 |
|
O |
5 |
3 |
8797 |
◊ |
N |
x,y,z |
1_555 |
7 |
2 |
8650 |
61.8 |
2.1 |
0.894 |
2 |
2 |
0 |
0.000 |
| 47 |
62 |
|
E |
5 |
3 |
11512 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
11468 |
60.5 |
0.0 |
0.690 |
1 |
0 |
0 |
0.000 |
| 48 |
63 |
|
P |
8 |
5 |
8858 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
4 |
11831 |
54.2 |
-0.3 |
0.428 |
0 |
0 |
0 |
0.000 |
| 49 |
64 |
|
R |
5 |
3 |
8474 |
◊ |
M |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
5 |
8745 |
51.6 |
0.5 |
0.690 |
1 |
0 |
0 |
0.000 |
| 50 |
65 |
|
D |
5 |
1 |
11608 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
11468 |
48.7 |
0.7 |
0.748 |
0 |
2 |
0 |
0.000 |
| 51 |
66 |
|
H |
6 |
2 |
11485 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
11532 |
46.1 |
-0.1 |
0.609 |
0 |
0 |
0 |
0.000 |
| 52 |
67 |
|
P |
3 |
1 |
8858 |
◊ |
L |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
1 |
11831 |
38.8 |
0.2 |
0.652 |
0 |
0 |
0 |
0.000 |
| 53 |
68 |
|
H |
4 |
2 |
11485 |
◊ |
Q |
x,y,z |
1_555 |
4 |
1 |
9002 |
38.2 |
0.6 |
0.795 |
2 |
0 |
0 |
0.000 |
| 54 |
69 |
|
P |
6 |
3 |
8858 |
◊ |
K |
-x+1,y-1/2,-z+1/2 |
3_645 |
4 |
4 |
11331 |
34.7 |
0.8 |
0.838 |
0 |
0 |
0 |
0.000 |
| 55 |
70 |
|
R |
3 |
1 |
8474 |
◊ |
H |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
2 |
11485 |
27.9 |
1.1 |
0.813 |
1 |
0 |
0 |
0.000 |
71 |
|
I |
5 |
3 |
11468 |
◊ |
Q |
x,y,z |
1_555 |
3 |
1 |
9002 |
21.5 |
-0.4 |
0.422 |
0 |
0 |
0 |
0.000 |
| Average: |
24.7 |
0.4 |
0.618 |
1 |
0 |
0 |
0.000 |
| 56 |
72 |
|
J |
2 |
1 |
11802 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
11603 |
14.0 |
0.3 |
0.825 |
0 |
0 |
0 |
0.000 |
| 57 |
73 |
|
B |
2 |
1 |
11770 |
◊ |
R |
x,y,z |
1_555 |
2 |
2 |
8474 |
10.2 |
-0.2 |
0.474 |
0 |
0 |
0 |
0.000 |
| 58 |
74 |
|
K |
1 |
1 |
11331 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
12229 |
8.9 |
-0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
| 59 |
75 |
|
J |
3 |
2 |
11802 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
11831 |
6.4 |
0.1 |
0.721 |
0 |
0 |
0 |
0.000 |
| 60 |
76 |
|
C |
2 |
1 |
11603 |
◊ |
O |
x-1,y,z |
1_455 |
2 |
2 |
8797 |
3.2 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
| 61 |
77 |
|
H |
1 |
1 |
11485 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
12229 |
1.6 |
-0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
| 62 |
78 |
|
G |
1 |
1 |
11571 |
◊ |
L |
-x+1/2,-y,z-1/2 |
2_554 |
1 |
1 |
11831 |
0.8 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
|