| ## |
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 |
151 |
40 |
15604 |
◊ |
D |
x,y,z |
1_555 |
152 |
41 |
15285 |
1397.6 |
-3.3 |
0.638 |
12 |
5 |
0 |
0.100 |
2 |
|
F |
151 |
42 |
15708 |
◊ |
A |
x,y,z |
1_555 |
154 |
40 |
15607 |
1390.2 |
-3.7 |
0.587 |
12 |
7 |
0 |
0.100 |
3 |
|
C |
146 |
40 |
15572 |
◊ |
B |
x,y,z |
1_555 |
150 |
39 |
15434 |
1379.7 |
-6.0 |
0.474 |
14 |
2 |
0 |
0.100 |
| Average: |
1389.2 |
-4.3 |
0.566 |
13 |
5 |
0 |
0.100 |
| 2 |
4 |
|
B |
125 |
35 |
15434 |
◊ |
A |
x,y,z |
1_555 |
131 |
35 |
15607 |
1194.4 |
-16.3 |
0.046 |
5 |
4 |
0 |
0.295 |
5 |
|
D |
118 |
32 |
15285 |
◊ |
C |
x,y,z |
1_555 |
118 |
34 |
15572 |
1181.9 |
-17.4 |
0.027 |
8 |
4 |
0 |
0.295 |
6 |
|
F |
126 |
34 |
15708 |
◊ |
E |
x,y,z |
1_555 |
121 |
36 |
15604 |
1181.2 |
-16.5 |
0.040 |
7 |
4 |
0 |
0.295 |
| Average: |
1185.8 |
-16.7 |
0.038 |
7 |
4 |
0 |
0.295 |
| 3 |
7 |
|
[NAP]A:401 |
48 |
1 |
902 |
f |
A |
x,y,z |
1_555 |
89 |
34 |
15607 |
623.9 |
-3.1 |
0.568 |
21 |
0 |
0 |
0.384 |
8 |
|
[NAP]F:401 |
48 |
1 |
901 |
f |
F |
x,y,z |
1_555 |
87 |
32 |
15708 |
619.9 |
-3.4 |
0.552 |
27 |
0 |
0 |
0.384 |
9 |
|
[NAP]E:400 |
47 |
1 |
901 |
f |
E |
x,y,z |
1_555 |
87 |
34 |
15604 |
616.8 |
-3.9 |
0.517 |
24 |
0 |
0 |
0.384 |
10 |
|
[NAP]C:400 |
47 |
1 |
890 |
f |
C |
x,y,z |
1_555 |
92 |
35 |
15572 |
612.9 |
-3.6 |
0.559 |
24 |
0 |
0 |
0.384 |
11 |
|
[NAP]B:401 |
47 |
1 |
898 |
f |
B |
x,y,z |
1_555 |
88 |
35 |
15434 |
612.1 |
-3.4 |
0.541 |
24 |
0 |
0 |
0.384 |
12 |
|
[NAP]D:400 |
47 |
1 |
894 |
f |
D |
x,y,z |
1_555 |
86 |
34 |
15285 |
610.1 |
-3.1 |
0.576 |
24 |
0 |
0 |
0.384 |
| Average: |
615.9 |
-3.4 |
0.552 |
24 |
0 |
0 |
0.384 |
| 4 |
13 |
|
F |
63 |
16 |
15708 |
◊ |
C |
x,y,z-1 |
1_554 |
66 |
17 |
15572 |
590.5 |
0.7 |
0.739 |
5 |
0 |
0 |
0.000 |
14 |
|
A |
62 |
20 |
15607 |
◊ |
D |
x-1,y,z |
1_455 |
66 |
22 |
15285 |
544.9 |
1.8 |
0.773 |
4 |
0 |
0 |
0.000 |
| Average: |
567.7 |
1.2 |
0.756 |
5 |
0 |
0 |
0.000 |
| 5 |
15 |
|
[UD1]C:401 |
37 |
1 |
734 |
f |
C |
x,y,z |
1_555 |
77 |
31 |
15572 |
515.0 |
-4.7 |
0.611 |
14 |
0 |
0 |
0.312 |
16 |
|
[UD1]D:401 |
36 |
1 |
733 |
f |
D |
x,y,z |
1_555 |
73 |
29 |
15285 |
513.6 |
-5.6 |
0.574 |
14 |
0 |
0 |
0.312 |
17 |
|
[UD1]B:402 |
39 |
1 |
728 |
f |
B |
x,y,z |
1_555 |
74 |
28 |
15434 |
513.4 |
-2.7 |
0.648 |
14 |
0 |
0 |
0.312 |
18 |
|
[UD1]F:402 |
37 |
1 |
725 |
f |
F |
x,y,z |
1_555 |
72 |
30 |
15708 |
511.5 |
-4.1 |
0.638 |
14 |
0 |
0 |
0.312 |
19 |
|
[UD1]E:401 |
38 |
1 |
730 |
f |
E |
x,y,z |
1_555 |
79 |
29 |
15604 |
508.1 |
-3.9 |
0.618 |
15 |
0 |
0 |
0.312 |
20 |
|
[UD1]A:402 |
38 |
1 |
726 |
f |
A |
x,y,z |
1_555 |
70 |
28 |
15607 |
506.5 |
-5.9 |
0.495 |
12 |
0 |
0 |
0.312 |
| Average: |
511.3 |
-4.5 |
0.597 |
14 |
0 |
0 |
0.312 |
| 6 |
21 |
|
B |
30 |
10 |
15434 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
31 |
11 |
15604 |
285.3 |
2.3 |
0.829 |
4 |
0 |
0 |
0.000 |
| 7 |
22 |
|
A |
25 |
7 |
15607 |
◊ |
C |
x-1,y,z-1 |
1_454 |
28 |
11 |
15572 |
220.6 |
0.2 |
0.593 |
2 |
1 |
0 |
0.000 |
23 |
|
F |
23 |
9 |
15708 |
◊ |
D |
x-1,y,z-1 |
1_454 |
25 |
11 |
15285 |
202.3 |
0.5 |
0.677 |
3 |
0 |
0 |
0.000 |
| Average: |
211.4 |
0.3 |
0.635 |
3 |
1 |
0 |
0.000 |
| 8 |
24 |
|
E |
19 |
9 |
15604 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
15607 |
165.8 |
0.4 |
0.681 |
2 |
2 |
0 |
0.024 |
25 |
|
F |
18 |
9 |
15708 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
15285 |
159.8 |
-0.4 |
0.569 |
2 |
2 |
0 |
0.024 |
26 |
|
D |
19 |
9 |
15285 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
15434 |
156.1 |
-0.5 |
0.547 |
2 |
2 |
0 |
0.024 |
27 |
|
F |
20 |
6 |
15708 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
15434 |
155.1 |
0.3 |
0.671 |
2 |
2 |
0 |
0.024 |
28 |
|
C |
22 |
7 |
15572 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
15607 |
152.6 |
0.1 |
0.647 |
3 |
2 |
0 |
0.024 |
29 |
|
E |
22 |
7 |
15604 |
◊ |
C |
x,y,z |
1_555 |
18 |
9 |
15572 |
138.3 |
-0.4 |
0.532 |
1 |
2 |
0 |
0.024 |
| Average: |
154.6 |
-0.1 |
0.608 |
2 |
2 |
0 |
0.024 |
| 9 |
30 |
|
[SO4]A:404 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
15607 |
85.9 |
-11.4 |
0.884 |
2 |
0 |
0 |
0.123 |
| 10 |
31 |
|
[SO4]A:403 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
15607 |
79.7 |
-9.3 |
0.919 |
3 |
0 |
0 |
0.106 |
| 11 |
32 |
|
[SO4]F:404 |
4 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
11 |
4 |
15708 |
79.6 |
-10.3 |
0.915 |
2 |
0 |
0 |
0.118 |
| 12 |
33 |
|
[SO4]F:403 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
15708 |
77.5 |
-9.7 |
0.895 |
3 |
0 |
0 |
0.117 |
| 13 |
34 |
|
[UD1]C:401 |
9 |
1 |
734 |
f |
[NAP]C:400 |
x,y,z |
1_555 |
10 |
1 |
890 |
75.1 |
-0.4 |
0.588 |
0 |
0 |
0 |
0.013 |
35 |
|
[UD1]D:401 |
9 |
1 |
733 |
f |
[NAP]D:400 |
x,y,z |
1_555 |
11 |
1 |
894 |
73.6 |
-0.3 |
0.597 |
0 |
0 |
0 |
0.013 |
36 |
|
[UD1]F:402 |
8 |
1 |
725 |
f |
[NAP]F:401 |
x,y,z |
1_555 |
10 |
1 |
901 |
72.9 |
-0.8 |
0.552 |
0 |
0 |
0 |
0.013 |
37 |
|
[UD1]E:401 |
8 |
1 |
730 |
f |
[NAP]E:400 |
x,y,z |
1_555 |
11 |
1 |
901 |
71.2 |
-0.4 |
0.572 |
0 |
0 |
0 |
0.013 |
38 |
|
[UD1]A:402 |
9 |
1 |
726 |
f |
[NAP]A:401 |
x,y,z |
1_555 |
10 |
1 |
902 |
70.9 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.013 |
39 |
|
[UD1]B:402 |
8 |
1 |
728 |
f |
[NAP]B:401 |
x,y,z |
1_555 |
10 |
1 |
898 |
70.6 |
-0.5 |
0.548 |
0 |
0 |
0 |
0.013 |
| Average: |
72.4 |
-0.5 |
0.572 |
0 |
0 |
0 |
0.013 |
| 14 |
40 |
|
[SO4]B:403 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
15434 |
72.2 |
-8.6 |
0.807 |
2 |
0 |
0 |
0.095 |
| 15 |
41 |
|
[SO4]B:403 |
5 |
1 |
186 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
8 |
4 |
15604 |
71.4 |
-8.4 |
0.800 |
1 |
0 |
0 |
0.000 |
| 16 |
42 |
|
A |
8 |
5 |
15607 |
◊ |
E |
x-1,y,z |
1_455 |
10 |
4 |
15604 |
64.0 |
0.8 |
0.770 |
1 |
0 |
0 |
0.000 |
43 |
|
F |
9 |
4 |
15708 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
4 |
15434 |
42.9 |
0.6 |
0.749 |
0 |
0 |
0 |
0.000 |
| Average: |
53.5 |
0.7 |
0.760 |
1 |
0 |
0 |
0.000 |
| 17 |
44 |
|
C |
4 |
1 |
15572 |
◊ |
E |
-x+3,y-1/2,-z+3 |
2_848 |
3 |
1 |
15604 |
41.0 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
45 |
|
B |
3 |
1 |
15434 |
◊ |
D |
-x+3,y-1/2,-z+3 |
2_848 |
4 |
1 |
15285 |
32.8 |
-0.5 |
0.399 |
0 |
0 |
0 |
0.000 |
| Average: |
36.9 |
-0.2 |
0.464 |
0 |
0 |
0 |
0.000 |
| 18 |
46 |
|
[NAP]E:400 |
4 |
1 |
901 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
15285 |
30.4 |
-0.5 |
0.474 |
0 |
0 |
0 |
0.009 |
47 |
|
[NAP]B:401 |
4 |
1 |
898 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
15572 |
30.0 |
-0.3 |
0.511 |
1 |
0 |
0 |
0.009 |
48 |
|
[NAP]F:401 |
4 |
1 |
901 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
15607 |
25.8 |
-0.5 |
0.455 |
0 |
0 |
0 |
0.009 |
49 |
|
[NAP]A:401 |
4 |
1 |
902 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
15708 |
25.7 |
-0.4 |
0.484 |
0 |
0 |
0 |
0.009 |
50 |
|
[NAP]D:400 |
4 |
1 |
894 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
15604 |
23.5 |
-0.5 |
0.471 |
0 |
0 |
0 |
0.009 |
51 |
|
[NAP]C:400 |
2 |
1 |
890 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
15434 |
22.9 |
-0.5 |
0.376 |
0 |
0 |
0 |
0.009 |
| Average: |
26.4 |
-0.4 |
0.462 |
0 |
0 |
0 |
0.009 |
| 19 |
52 |
|
[SO4]F:404 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
15434 |
30.0 |
-3.7 |
0.637 |
0 |
0 |
0 |
0.012 |
| 20 |
53 |
|
[SO4]A:404 |
1 |
1 |
186 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
15604 |
27.5 |
-4.0 |
0.576 |
0 |
0 |
0 |
0.012 |
| 21 |
54 |
|
[UD1]A:402 |
2 |
1 |
726 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
15708 |
16.1 |
-0.0 |
0.553 |
0 |
0 |
0 |
0.000 |
55 |
|
[UD1]B:402 |
2 |
1 |
728 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
15572 |
15.1 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
56 |
|
[UD1]E:401 |
2 |
1 |
730 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
15285 |
13.1 |
-0.0 |
0.563 |
0 |
0 |
0 |
0.000 |
57 |
|
[UD1]F:402 |
3 |
1 |
725 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
15607 |
11.1 |
-0.1 |
0.549 |
0 |
0 |
0 |
0.000 |
58 |
|
[UD1]C:401 |
2 |
1 |
734 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
15434 |
7.5 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
59 |
|
[UD1]D:401 |
2 |
1 |
733 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
15604 |
3.4 |
0.0 |
0.538 |
0 |
0 |
0 |
0.000 |
| Average: |
11.0 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
| 22 |
60 |
|
A |
4 |
2 |
15607 |
◊ |
E |
-x+2,y-1/2,-z+2 |
2_747 |
2 |
2 |
15604 |
13.5 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
| 23 |
61 |
|
[SO4]F:403 |
3 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15434 |
11.1 |
-1.0 |
0.911 |
0 |
0 |
0 |
0.003 |
| 24 |
62 |
|
B |
1 |
1 |
15434 |
◊ |
E |
-x+3,y-1/2,-z+3 |
2_848 |
1 |
1 |
15604 |
7.4 |
0.2 |
0.814 |
0 |
0 |
0 |
0.000 |
| 25 |
63 |
|
[SO4]A:403 |
2 |
1 |
187 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
15604 |
7.3 |
-0.6 |
0.887 |
0 |
0 |
0 |
0.002 |
| 26 |
64 |
|
[SO4]A:404 |
1 |
1 |
186 |
f |
[SO4]A:403 |
x,y,z |
1_555 |
1 |
1 |
187 |
3.7 |
-0.9 |
1.000 |
0 |
0 |
0 |
0.009 |
|