## |
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 |
|
E |
419 |
103 |
14991 |
◊ |
E |
-x,-y+1,z |
2_565 |
415 |
103 |
14991 |
4435.1 |
-95.1 |
0.001 |
18 |
8 |
0 |
0.818 |
2 |
|
D |
410 |
104 |
14645 |
◊ |
C |
x,y,z |
1_555 |
405 |
103 |
15077 |
4346.8 |
-94.9 |
0.000 |
19 |
9 |
0 |
0.818 |
3 |
|
B |
402 |
103 |
14673 |
◊ |
A |
x,y,z |
1_555 |
399 |
103 |
14086 |
4281.0 |
-93.5 |
0.001 |
16 |
10 |
0 |
0.818 |
Average: |
4354.3 |
-94.5 |
0.001 |
18 |
9 |
0 |
0.818 |
2 |
4 |
|
B |
67 |
19 |
14673 |
◊ |
B |
-x,-y+1,z |
2_565 |
68 |
19 |
14673 |
562.7 |
-1.6 |
0.905 |
4 |
4 |
0 |
0.000 |
5 |
|
D |
69 |
19 |
14645 |
◊ |
A |
x,y,z |
1_555 |
65 |
17 |
14086 |
550.8 |
-2.3 |
0.901 |
5 |
3 |
0 |
0.000 |
6 |
|
E |
62 |
19 |
14991 |
◊ |
C |
-x,-y+1,z |
2_565 |
62 |
17 |
15077 |
549.9 |
-2.0 |
0.847 |
6 |
3 |
0 |
0.000 |
Average: |
554.5 |
-2.0 |
0.884 |
5 |
3 |
0 |
0.000 |
3 |
7 |
|
[NDP]E:401 |
45 |
1 |
907 |
f |
E |
x,y,z |
1_555 |
73 |
30 |
14991 |
558.6 |
-7.0 |
0.476 |
10 |
0 |
0 |
0.180 |
8 |
|
[NDP]C:401 |
46 |
1 |
894 |
f |
C |
x,y,z |
1_555 |
73 |
30 |
15077 |
551.4 |
-6.7 |
0.453 |
10 |
0 |
0 |
0.180 |
Average: |
555.0 |
-6.9 |
0.465 |
10 |
0 |
0 |
0.180 |
4 |
9 |
|
B |
46 |
12 |
14673 |
◊ |
C |
-x-1/2,y-1/2,-z-1 |
3_444 |
43 |
13 |
15077 |
389.1 |
-3.4 |
0.672 |
6 |
2 |
0 |
0.000 |
10 |
|
D |
40 |
10 |
14645 |
◊ |
E |
-x-1/2,y-1/2,-z |
3_445 |
37 |
11 |
14991 |
356.1 |
-2.8 |
0.705 |
5 |
4 |
0 |
0.000 |
Average: |
372.6 |
-3.1 |
0.688 |
6 |
3 |
0 |
0.000 |
5 |
11 |
|
C |
40 |
10 |
15077 |
◊ |
A |
x,y,z |
1_555 |
49 |
14 |
14086 |
376.7 |
-1.1 |
0.870 |
3 |
9 |
0 |
0.000 |
12 |
|
B |
47 |
14 |
14673 |
◊ |
A |
-x,-y+1,z |
2_565 |
38 |
10 |
14086 |
375.1 |
-0.8 |
0.896 |
3 |
9 |
0 |
0.000 |
13 |
|
E |
37 |
10 |
14991 |
◊ |
C |
x,y,z |
1_555 |
45 |
14 |
15077 |
370.3 |
-0.9 |
0.837 |
2 |
8 |
0 |
0.000 |
14 |
|
E |
43 |
12 |
14991 |
◊ |
D |
-x,-y+1,z |
2_565 |
38 |
9 |
14645 |
364.0 |
-1.3 |
0.832 |
2 |
7 |
0 |
0.000 |
15 |
|
D |
48 |
14 |
14645 |
◊ |
B |
x,y,z |
1_555 |
40 |
10 |
14673 |
362.5 |
-1.6 |
0.827 |
3 |
6 |
0 |
0.000 |
Average: |
369.7 |
-1.2 |
0.852 |
3 |
8 |
0 |
0.000 |
6 |
16 |
|
D |
31 |
13 |
14645 |
◊ |
C |
-x-1/2,y-1/2,-z |
3_445 |
22 |
6 |
15077 |
250.6 |
-2.2 |
0.643 |
1 |
0 |
0 |
0.000 |
17 |
|
B |
30 |
11 |
14673 |
◊ |
A |
-x-1/2,y-1/2,-z-1 |
3_444 |
25 |
6 |
14086 |
240.3 |
-0.1 |
0.865 |
1 |
0 |
0 |
0.000 |
Average: |
245.5 |
-1.2 |
0.754 |
1 |
0 |
0 |
0.000 |
7 |
18 |
|
B |
21 |
10 |
14673 |
◊ |
[PEG]C:403 |
-x-1/2,y-1/2,-z-1 |
3_444 |
6 |
1 |
259 |
130.3 |
4.3 |
0.635 |
1 |
0 |
0 |
0.000 |
8 |
19 |
|
B |
8 |
4 |
14673 |
◊ |
A |
x,y-1,z |
1_545 |
9 |
4 |
14086 |
104.7 |
-1.7 |
0.388 |
0 |
0 |
0 |
0.000 |
20 |
|
D |
8 |
4 |
14645 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
4 |
15077 |
102.7 |
-1.9 |
0.347 |
0 |
0 |
0 |
0.000 |
21 |
|
E |
8 |
4 |
14991 |
◊ |
E |
-x,-y+2,z |
2_575 |
8 |
4 |
14991 |
95.7 |
-1.8 |
0.347 |
0 |
0 |
0 |
0.000 |
Average: |
101.0 |
-1.8 |
0.361 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14086 |
88.7 |
-12.9 |
0.897 |
5 |
0 |
0 |
0.105 |
10 |
23 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14673 |
87.6 |
-12.8 |
0.884 |
5 |
0 |
0 |
0.104 |
11 |
24 |
|
[SO4]C:402 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
15077 |
86.4 |
-12.5 |
0.878 |
5 |
0 |
0 |
0.092 |
12 |
25 |
|
[SO4]D:401 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14645 |
76.8 |
-10.9 |
0.886 |
5 |
0 |
0 |
0.100 |
13 |
26 |
|
[NDP]C:401 |
13 |
1 |
894 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
14645 |
72.0 |
0.1 |
0.623 |
1 |
0 |
0 |
0.002 |
27 |
|
[NDP]E:401 |
7 |
1 |
907 |
◊ |
E |
-x,-y+1,z |
2_565 |
7 |
3 |
14991 |
63.5 |
0.3 |
0.663 |
1 |
0 |
0 |
0.002 |
Average: |
67.8 |
0.2 |
0.643 |
1 |
0 |
0 |
0.002 |
14 |
28 |
|
[PEG]C:403 |
5 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
15077 |
55.8 |
-0.0 |
0.147 |
0 |
0 |
0 |
0.000 |
15 |
29 |
|
[SO4]B:401 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
7 |
5 |
14086 |
51.2 |
-6.9 |
0.715 |
0 |
0 |
0 |
0.047 |
16 |
30 |
|
[NDP]C:401 |
11 |
1 |
894 |
◊ |
[SO4]D:401 |
x,y,z |
1_555 |
4 |
1 |
186 |
44.2 |
-6.0 |
0.620 |
0 |
0 |
0 |
0.037 |
17 |
31 |
|
[SO4]A:401 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
14673 |
41.4 |
-5.6 |
0.740 |
0 |
0 |
0 |
0.038 |
18 |
32 |
|
[SO4]D:401 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
15077 |
40.0 |
-5.2 |
0.759 |
0 |
0 |
0 |
0.033 |
19 |
33 |
|
[SO4]C:402 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
14645 |
38.3 |
-5.2 |
0.756 |
0 |
0 |
0 |
0.032 |
20 |
34 |
|
C |
4 |
4 |
15077 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
14673 |
16.2 |
0.6 |
0.834 |
0 |
0 |
0 |
0.000 |
35 |
|
E |
3 |
3 |
14991 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
14645 |
9.8 |
0.4 |
0.839 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
3 |
3 |
14086 |
◊ |
A |
-x,-y+1,z |
2_565 |
3 |
3 |
14086 |
4.7 |
0.2 |
0.803 |
0 |
0 |
0 |
0.000 |
Average: |
10.2 |
0.4 |
0.825 |
0 |
0 |
0 |
0.000 |
21 |
37 |
|
D |
1 |
1 |
14645 |
◊ |
[NDP]E:401 |
-x-1/2,y-1/2,-z |
3_445 |
1 |
1 |
907 |
3.1 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
38 |
|
B |
1 |
1 |
14673 |
◊ |
[NDP]C:401 |
-x-1/2,y-1/2,-z-1 |
3_444 |
1 |
1 |
894 |
1.7 |
0.0 |
0.666 |
0 |
0 |
0 |
0.000 |
Average: |
2.4 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
|