| ## |
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 |
|
D |
300 |
69 |
16821 |
◊ |
C |
x,y,z |
1_555 |
299 |
69 |
16895 |
2829.1 |
-49.6 |
0.002 |
22 |
8 |
0 |
0.479 |
2 |
|
B |
298 |
69 |
16868 |
◊ |
A |
x,y,z |
1_555 |
296 |
69 |
16726 |
2802.3 |
-50.9 |
0.001 |
20 |
8 |
0 |
0.479 |
| Average: |
2815.7 |
-50.3 |
0.002 |
21 |
8 |
0 |
0.479 |
| 2 |
3 |
|
C |
163 |
42 |
16895 |
◊ |
B |
x,y,z |
1_555 |
158 |
43 |
16868 |
1566.9 |
-7.2 |
0.588 |
21 |
5 |
0 |
0.214 |
4 |
|
D |
156 |
41 |
16821 |
◊ |
A |
x,y,z |
1_555 |
155 |
41 |
16726 |
1517.5 |
-9.1 |
0.493 |
24 |
2 |
0 |
0.214 |
| Average: |
1542.2 |
-8.2 |
0.541 |
23 |
4 |
0 |
0.214 |
| 3 |
5 |
|
D |
96 |
28 |
16821 |
◊ |
B |
x,y,z |
1_555 |
94 |
28 |
16868 |
915.2 |
-12.1 |
0.144 |
8 |
0 |
0 |
0.084 |
6 |
|
C |
93 |
27 |
16895 |
◊ |
A |
x,y,z |
1_555 |
94 |
27 |
16726 |
885.2 |
-12.4 |
0.118 |
8 |
0 |
0 |
0.084 |
| Average: |
900.2 |
-12.2 |
0.131 |
8 |
0 |
0 |
0.084 |
| 4 |
7 |
|
[NAD]D:801 |
43 |
1 |
870 |
f |
D |
x,y,z |
1_555 |
82 |
34 |
16821 |
624.4 |
-7.3 |
0.479 |
13 |
0 |
0 |
0.273 |
8 |
|
[NAD]A:801 |
42 |
1 |
867 |
f |
A |
x,y,z |
1_555 |
85 |
34 |
16726 |
623.0 |
-7.3 |
0.491 |
12 |
0 |
0 |
0.273 |
9 |
|
[NAD]C:801 |
43 |
1 |
869 |
f |
C |
x,y,z |
1_555 |
82 |
34 |
16895 |
611.6 |
-6.9 |
0.483 |
12 |
0 |
0 |
0.273 |
10 |
|
[NAD]B:801 |
43 |
1 |
873 |
f |
B |
x,y,z |
1_555 |
86 |
34 |
16868 |
603.9 |
-6.1 |
0.562 |
13 |
0 |
0 |
0.273 |
| Average: |
615.7 |
-6.9 |
0.504 |
13 |
0 |
0 |
0.273 |
| 5 |
11 |
|
C |
63 |
17 |
16895 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
56 |
15 |
16895 |
538.6 |
-1.4 |
0.646 |
2 |
2 |
0 |
0.000 |
| 6 |
12 |
|
B |
54 |
16 |
16868 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
46 |
15 |
16726 |
479.4 |
-2.2 |
0.589 |
4 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[D0Y]D:803 |
33 |
1 |
656 |
f |
D |
x,y,z |
1_555 |
61 |
22 |
16821 |
470.9 |
-10.3 |
0.381 |
6 |
0 |
0 |
0.271 |
14 |
|
[D0Y]A:805 |
33 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
64 |
23 |
16726 |
432.1 |
-9.7 |
0.399 |
6 |
0 |
0 |
0.271 |
15 |
|
[D0Y]C:807 |
33 |
1 |
658 |
f |
C |
x,y,z |
1_555 |
68 |
23 |
16895 |
431.3 |
-10.0 |
0.373 |
6 |
0 |
0 |
0.271 |
16 |
|
[D0Y]B:805 |
33 |
1 |
657 |
f |
B |
x,y,z |
1_555 |
63 |
22 |
16868 |
428.1 |
-9.7 |
0.419 |
7 |
0 |
0 |
0.271 |
| Average: |
440.6 |
-9.9 |
0.393 |
6 |
0 |
0 |
0.271 |
| 8 |
17 |
|
D |
48 |
15 |
16821 |
◊ |
B |
x-1,y,z |
1_455 |
44 |
13 |
16868 |
468.1 |
-3.8 |
0.414 |
3 |
0 |
0 |
0.027 |
| 9 |
18 |
|
B |
52 |
18 |
16868 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
55 |
18 |
16726 |
446.3 |
-0.2 |
0.747 |
2 |
3 |
0 |
0.000 |
| 10 |
19 |
|
D |
35 |
12 |
16821 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
36 |
14 |
16726 |
319.0 |
1.3 |
0.798 |
1 |
0 |
0 |
0.000 |
| 11 |
20 |
|
B |
29 |
9 |
16868 |
◊ |
A |
x,y-1,z |
1_545 |
37 |
12 |
16726 |
310.1 |
1.5 |
0.811 |
2 |
1 |
0 |
0.000 |
| 12 |
21 |
|
B |
24 |
10 |
16868 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
36 |
8 |
16821 |
275.8 |
-2.2 |
0.484 |
2 |
0 |
0 |
0.000 |
| 13 |
22 |
|
[EPE]B:803 |
15 |
1 |
401 |
f |
B |
x,y,z |
1_555 |
28 |
11 |
16868 |
200.4 |
4.7 |
0.051 |
2 |
0 |
0 |
0.000 |
| 14 |
23 |
|
[EPE]C:803 |
15 |
1 |
402 |
f |
C |
x,y,z |
1_555 |
28 |
11 |
16895 |
198.6 |
5.5 |
0.054 |
2 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[EPE]A:803 |
14 |
1 |
405 |
f |
A |
x,y,z |
1_555 |
30 |
12 |
16726 |
196.0 |
5.5 |
0.079 |
2 |
0 |
0 |
0.000 |
| 16 |
25 |
|
D |
21 |
9 |
16821 |
x |
D |
-x,y-1/2,-z |
2_545 |
22 |
9 |
16821 |
189.1 |
-0.3 |
0.645 |
1 |
1 |
0 |
0.000 |
| 17 |
26 |
|
C |
24 |
7 |
16895 |
◊ |
[EPE]C:806 |
-x,y-1/2,-z+1 |
2_546 |
12 |
1 |
398 |
165.3 |
3.6 |
0.083 |
1 |
0 |
0 |
0.000 |
| 18 |
27 |
|
C |
22 |
7 |
16895 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
4 |
16726 |
160.2 |
0.5 |
0.726 |
0 |
0 |
0 |
0.000 |
| 19 |
28 |
|
B |
19 |
6 |
16868 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
6 |
16895 |
157.8 |
0.3 |
0.711 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
[EPE]A:802 |
13 |
1 |
402 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
16726 |
144.7 |
1.7 |
0.013 |
4 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[EPE]C:802 |
13 |
1 |
402 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
16895 |
138.9 |
2.0 |
0.021 |
2 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[EPE]B:802 |
10 |
1 |
399 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
16868 |
132.6 |
1.8 |
0.066 |
2 |
0 |
0 |
0.000 |
| 23 |
32 |
|
[EPE]C:806 |
12 |
1 |
398 |
f |
C |
x,y,z |
1_555 |
19 |
5 |
16895 |
126.7 |
3.8 |
0.091 |
0 |
0 |
0 |
0.000 |
| 24 |
33 |
|
B |
14 |
6 |
16868 |
x |
B |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
3 |
16868 |
124.7 |
0.4 |
0.718 |
2 |
0 |
0 |
0.000 |
| 25 |
34 |
|
[SO4]C:804 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
16895 |
97.8 |
-14.5 |
0.771 |
2 |
0 |
0 |
0.163 |
| 26 |
35 |
|
[SO4]C:805 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
16895 |
95.2 |
-11.7 |
0.876 |
3 |
0 |
0 |
0.138 |
| 27 |
36 |
|
[SO4]D:802 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
16821 |
93.9 |
-12.0 |
0.870 |
3 |
0 |
0 |
0.142 |
| 28 |
37 |
|
[SO4]B:804 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
16868 |
91.8 |
-11.9 |
0.862 |
3 |
0 |
0 |
0.140 |
| 29 |
38 |
|
[SO4]A:804 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
16726 |
91.4 |
-11.6 |
0.870 |
3 |
0 |
0 |
0.138 |
| 30 |
39 |
|
[D0Y]D:803 |
12 |
1 |
656 |
f |
[NAD]D:801 |
x,y,z |
1_555 |
11 |
1 |
870 |
87.7 |
-1.7 |
0.548 |
0 |
0 |
0 |
0.034 |
40 |
|
[D0Y]A:805 |
9 |
1 |
661 |
f |
[NAD]A:801 |
x,y,z |
1_555 |
11 |
1 |
867 |
83.3 |
-1.6 |
0.539 |
0 |
0 |
0 |
0.034 |
41 |
|
[D0Y]B:805 |
12 |
1 |
657 |
f |
[NAD]B:801 |
x,y,z |
1_555 |
11 |
1 |
873 |
82.8 |
-1.4 |
0.567 |
0 |
0 |
0 |
0.034 |
42 |
|
[D0Y]C:807 |
12 |
1 |
658 |
f |
[NAD]C:801 |
x,y,z |
1_555 |
11 |
1 |
869 |
81.8 |
-1.5 |
0.558 |
0 |
0 |
0 |
0.034 |
| Average: |
83.9 |
-1.5 |
0.553 |
0 |
0 |
0 |
0.034 |
| 31 |
43 |
|
D |
8 |
4 |
16821 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
16726 |
77.6 |
1.7 |
0.869 |
1 |
1 |
0 |
0.000 |
| 32 |
44 |
|
[D0Y]A:805 |
11 |
1 |
661 |
f |
[EPE]A:803 |
x,y,z |
1_555 |
7 |
1 |
405 |
76.1 |
1.9 |
0.147 |
1 |
0 |
0 |
0.000 |
| 33 |
45 |
|
[D0Y]C:807 |
10 |
1 |
658 |
f |
[EPE]C:803 |
x,y,z |
1_555 |
7 |
1 |
402 |
75.2 |
1.9 |
0.118 |
1 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[D0Y]B:805 |
9 |
1 |
657 |
f |
[EPE]B:803 |
x,y,z |
1_555 |
7 |
1 |
401 |
70.8 |
1.8 |
0.138 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
[EPE]B:802 |
7 |
1 |
399 |
◊ |
A |
x,y-1,z |
1_545 |
6 |
3 |
16726 |
67.2 |
1.8 |
0.078 |
0 |
0 |
0 |
0.000 |
| 36 |
48 |
|
D |
7 |
3 |
16821 |
◊ |
[NAD]B:801 |
x-1,y,z |
1_455 |
7 |
1 |
873 |
50.0 |
0.4 |
0.619 |
0 |
0 |
0 |
0.000 |
| 37 |
49 |
|
[SO4]B:804 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
16821 |
47.4 |
-6.9 |
0.616 |
1 |
0 |
0 |
0.020 |
| 38 |
50 |
|
[SO4]A:804 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
16895 |
46.0 |
-6.8 |
0.575 |
1 |
0 |
0 |
0.019 |
| 39 |
51 |
|
[SO4]C:805 |
5 |
1 |
188 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
16726 |
45.5 |
-6.6 |
0.631 |
1 |
0 |
0 |
0.019 |
| 40 |
52 |
|
[SO4]D:802 |
5 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
16868 |
43.9 |
-6.5 |
0.589 |
1 |
0 |
0 |
0.018 |
| 41 |
53 |
|
A |
3 |
1 |
16726 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
4 |
2 |
16821 |
41.1 |
0.4 |
0.741 |
0 |
0 |
0 |
0.000 |
| 42 |
54 |
|
[EPE]B:803 |
4 |
1 |
401 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
4 |
2 |
16726 |
40.4 |
2.1 |
0.320 |
0 |
0 |
0 |
0.000 |
| 43 |
55 |
|
[NAD]C:801 |
6 |
1 |
869 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
16895 |
35.9 |
0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 44 |
56 |
|
C |
4 |
2 |
16895 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
16726 |
15.7 |
0.5 |
0.770 |
0 |
0 |
0 |
0.000 |
| 45 |
57 |
|
D |
3 |
1 |
16821 |
◊ |
[EPE]A:802 |
-x,y-1/2,-z |
2_545 |
2 |
1 |
402 |
15.2 |
0.3 |
0.218 |
0 |
0 |
0 |
0.000 |
| 46 |
58 |
|
C |
2 |
2 |
16895 |
◊ |
[EPE]C:803 |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
402 |
14.5 |
0.7 |
0.360 |
0 |
0 |
0 |
0.000 |
| 47 |
59 |
|
[EPE]C:802 |
1 |
1 |
402 |
f |
A |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
16726 |
11.0 |
0.8 |
0.561 |
0 |
0 |
0 |
0.000 |
| 48 |
60 |
|
D |
1 |
1 |
16821 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
2 |
2 |
16895 |
8.9 |
0.6 |
0.877 |
0 |
0 |
0 |
0.000 |
| 49 |
61 |
|
[EPE]C:806 |
2 |
1 |
398 |
f |
[EPE]C:803 |
x,y,z |
1_555 |
1 |
1 |
402 |
7.5 |
0.4 |
0.099 |
0 |
0 |
0 |
0.000 |
| 50 |
62 |
|
[SO4]D:802 |
2 |
1 |
187 |
◊ |
[SO4]B:804 |
x,y,z |
1_555 |
1 |
1 |
186 |
7.4 |
-1.8 |
0.876 |
0 |
0 |
0 |
0.005 |
| 51 |
63 |
|
[SO4]C:804 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16821 |
7.0 |
-0.8 |
0.776 |
0 |
0 |
0 |
0.005 |
| 52 |
64 |
|
[SO4]C:805 |
1 |
1 |
188 |
◊ |
[SO4]A:804 |
x,y,z |
1_555 |
1 |
1 |
186 |
6.1 |
-1.5 |
0.800 |
0 |
0 |
0 |
0.004 |
| 53 |
65 |
|
[SO4]C:805 |
3 |
1 |
188 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16821 |
5.9 |
-0.8 |
0.679 |
0 |
0 |
0 |
0.005 |
| 54 |
66 |
|
B |
1 |
1 |
16868 |
◊ |
[NAD]A:801 |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
867 |
5.5 |
0.3 |
0.729 |
0 |
0 |
0 |
0.000 |
| 55 |
67 |
|
[SO4]D:802 |
2 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
16895 |
3.4 |
-0.5 |
0.731 |
0 |
0 |
0 |
0.003 |
| 56 |
68 |
|
[SO4]A:804 |
1 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
16868 |
2.9 |
-0.4 |
0.643 |
0 |
0 |
0 |
0.003 |
| 57 |
69 |
|
[EPE]A:803 |
1 |
1 |
405 |
f |
[NAD]A:801 |
x,y,z |
1_555 |
1 |
1 |
867 |
2.6 |
-0.1 |
0.285 |
0 |
0 |
0 |
0.001 |
| 58 |
70 |
|
[SO4]B:804 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16726 |
2.4 |
-0.3 |
0.662 |
0 |
0 |
0 |
0.002 |
| 59 |
71 |
|
[EPE]C:803 |
1 |
1 |
402 |
f |
[NAD]C:801 |
x,y,z |
1_555 |
1 |
1 |
869 |
1.9 |
-0.1 |
0.313 |
0 |
0 |
0 |
0.000 |
| 60 |
72 |
|
C |
1 |
1 |
16895 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
16821 |
0.8 |
-0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
|