| ## |
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 |
90 |
26 |
11155 |
◊ |
C |
x,y,z |
1_555 |
94 |
25 |
11110 |
882.0 |
-17.3 |
0.111 |
17 |
0 |
0 |
0.312 |
2 |
|
B |
97 |
26 |
11801 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
3_454 |
96 |
26 |
11802 |
877.4 |
-16.3 |
0.021 |
18 |
0 |
0 |
0.312 |
| Average: |
879.7 |
-16.8 |
0.066 |
18 |
0 |
0 |
0.312 |
| 2 |
3 |
|
B |
65 |
15 |
11801 |
◊ |
A |
x-1/2,-y+1/2,-z |
3_455 |
63 |
16 |
11802 |
573.9 |
-0.7 |
0.711 |
4 |
4 |
0 |
0.000 |
| 3 |
4 |
|
[NAD]A:901 |
42 |
1 |
864 |
f |
A |
x,y,z |
1_555 |
80 |
28 |
11802 |
560.1 |
-5.9 |
0.439 |
9 |
0 |
0 |
0.260 |
5 |
|
[NAD]B:901 |
42 |
1 |
854 |
f |
B |
x,y,z |
1_555 |
76 |
30 |
11801 |
554.6 |
-5.9 |
0.464 |
10 |
0 |
0 |
0.260 |
6 |
|
[NAD]C:901 |
41 |
1 |
861 |
f |
C |
x,y,z |
1_555 |
73 |
28 |
11110 |
534.9 |
-5.3 |
0.611 |
9 |
0 |
0 |
0.260 |
7 |
|
[NAD]D:901 |
40 |
1 |
854 |
f |
D |
x,y,z |
1_555 |
70 |
28 |
11155 |
522.9 |
-4.7 |
0.661 |
9 |
0 |
0 |
0.260 |
| Average: |
543.1 |
-5.4 |
0.544 |
9 |
0 |
0 |
0.260 |
| 4 |
8 |
|
B |
49 |
13 |
11801 |
◊ |
A |
x,y,z |
1_555 |
52 |
18 |
11802 |
467.6 |
-2.8 |
0.369 |
1 |
0 |
0 |
0.000 |
| 5 |
9 |
|
C |
40 |
12 |
11110 |
◊ |
C |
-x,-y+1,z |
2_565 |
41 |
12 |
11110 |
339.9 |
0.0 |
0.895 |
4 |
0 |
0 |
0.000 |
| 6 |
10 |
|
[2YH]A:904 |
17 |
1 |
466 |
f |
A |
x,y,z |
1_555 |
54 |
21 |
11802 |
325.2 |
6.7 |
0.331 |
7 |
0 |
0 |
0.000 |
11 |
|
[2YH]D:904 |
17 |
1 |
472 |
f |
D |
x,y,z |
1_555 |
50 |
20 |
11155 |
315.1 |
7.3 |
0.409 |
5 |
0 |
0 |
0.000 |
| Average: |
320.1 |
7.0 |
0.370 |
6 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[2YH]B:904 |
17 |
1 |
458 |
f |
B |
x,y,z |
1_555 |
60 |
23 |
11801 |
324.6 |
7.2 |
0.459 |
5 |
0 |
0 |
0.000 |
13 |
|
[2YH]C:904 |
16 |
1 |
455 |
f |
C |
x,y,z |
1_555 |
49 |
17 |
11110 |
292.7 |
5.7 |
0.258 |
8 |
0 |
0 |
0.000 |
| Average: |
308.7 |
6.5 |
0.359 |
7 |
0 |
0 |
0.000 |
| 8 |
14 |
|
B |
27 |
12 |
11801 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
3_454 |
31 |
12 |
11155 |
299.2 |
-3.8 |
0.296 |
2 |
0 |
0 |
0.000 |
15 |
|
C |
31 |
13 |
11110 |
◊ |
A |
x,y,z |
1_555 |
30 |
12 |
11802 |
279.3 |
-3.5 |
0.353 |
2 |
0 |
0 |
0.000 |
| Average: |
289.2 |
-3.6 |
0.324 |
2 |
0 |
0 |
0.000 |
| 9 |
16 |
|
D |
28 |
12 |
11155 |
◊ |
D |
-x+1,-y+1,z |
2_665 |
28 |
12 |
11155 |
243.1 |
-2.9 |
0.556 |
0 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[GOL]B:905 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
11801 |
129.7 |
0.3 |
0.616 |
1 |
0 |
0 |
0.002 |
| 11 |
18 |
|
A |
10 |
6 |
11802 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
15 |
7 |
11801 |
114.5 |
1.8 |
0.882 |
1 |
0 |
0 |
0.000 |
19 |
|
C |
8 |
4 |
11110 |
◊ |
D |
x-1,y,z+1 |
1_456 |
9 |
5 |
11155 |
68.4 |
0.1 |
0.626 |
0 |
0 |
0 |
0.000 |
| Average: |
91.5 |
0.9 |
0.754 |
1 |
0 |
0 |
0.000 |
| 12 |
20 |
|
B |
21 |
9 |
11801 |
◊ |
[PEG]A:905 |
x-1/2,-y+1/2,-z-1 |
3_454 |
7 |
1 |
257 |
111.9 |
1.2 |
0.231 |
1 |
0 |
0 |
0.000 |
| 13 |
21 |
|
[PEG]A:905 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
11802 |
108.4 |
0.7 |
0.184 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[GOL]A:907 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11802 |
106.7 |
0.4 |
0.641 |
4 |
0 |
0 |
0.018 |
| 15 |
23 |
|
D |
12 |
5 |
11155 |
◊ |
C |
-x,-y+1,z |
2_565 |
11 |
8 |
11110 |
105.1 |
-2.1 |
0.286 |
0 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[EDO]A:908 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
11802 |
100.6 |
3.0 |
0.456 |
2 |
0 |
0 |
0.000 |
| 17 |
25 |
|
[EDO]A:909 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
11802 |
100.4 |
2.9 |
0.501 |
1 |
0 |
0 |
0.000 |
| 18 |
26 |
|
A |
12 |
5 |
11802 |
x |
A |
x-1/2,-y+1/2,-z |
3_455 |
15 |
7 |
11802 |
97.6 |
0.4 |
0.618 |
1 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[PEG]A:906 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
11802 |
71.1 |
1.7 |
0.200 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[NA]C:902 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
11110 |
64.2 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.321 |
29 |
|
[NA]A:902 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
11802 |
63.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.321 |
30 |
|
[NA]B:902 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11801 |
62.6 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.321 |
31 |
|
[NA]D:902 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
6 |
5 |
11155 |
60.3 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.321 |
| Average: |
62.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.321 |
| 21 |
32 |
|
B |
10 |
4 |
11801 |
◊ |
[GOL]A:907 |
x-1/2,-y+1/2,-z |
3_455 |
4 |
1 |
218 |
63.4 |
0.4 |
0.647 |
1 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[NAD]C:901 |
10 |
1 |
861 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
11802 |
63.3 |
0.7 |
0.644 |
0 |
0 |
0 |
0.000 |
34 |
|
B |
10 |
4 |
11801 |
◊ |
[NAD]D:901 |
x-1/2,-y+1/2,-z-1 |
3_454 |
6 |
1 |
854 |
58.1 |
0.6 |
0.646 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAD]B:901 |
7 |
1 |
854 |
◊ |
D |
x-1/2,-y+1/2,-z-1 |
3_454 |
10 |
4 |
11155 |
57.3 |
0.7 |
0.751 |
1 |
0 |
0 |
0.000 |
36 |
|
[NAD]A:901 |
6 |
1 |
864 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11110 |
47.2 |
0.6 |
0.734 |
0 |
0 |
0 |
0.000 |
| Average: |
56.5 |
0.7 |
0.694 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
B |
11 |
4 |
11801 |
◊ |
[PEG]A:906 |
x-1/2,-y+1/2,-z-1 |
3_454 |
6 |
1 |
261 |
63.2 |
1.5 |
0.230 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[MG]B:903 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
11801 |
42.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.193 |
39 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
11802 |
41.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.193 |
40 |
|
[MG]D:903 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
11155 |
41.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.193 |
41 |
|
[MG]C:903 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
11110 |
41.2 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.193 |
| Average: |
41.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.193 |
| 25 |
42 |
|
[2YH]D:904 |
2 |
1 |
472 |
f |
[NAD]D:901 |
x,y,z |
1_555 |
3 |
1 |
854 |
35.8 |
0.5 |
0.311 |
0 |
0 |
0 |
0.000 |
43 |
|
[2YH]A:904 |
3 |
1 |
466 |
f |
[NAD]A:901 |
x,y,z |
1_555 |
5 |
1 |
864 |
34.0 |
0.4 |
0.236 |
0 |
0 |
0 |
0.000 |
| Average: |
34.9 |
0.5 |
0.274 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
D |
5 |
1 |
11155 |
x |
D |
x,y,z-1 |
1_554 |
4 |
2 |
11155 |
35.5 |
-0.3 |
0.547 |
0 |
0 |
0 |
0.000 |
45 |
|
C |
2 |
1 |
11110 |
x |
C |
x,y,z-1 |
1_554 |
1 |
1 |
11110 |
12.6 |
-0.2 |
0.363 |
0 |
0 |
0 |
0.000 |
| Average: |
24.0 |
-0.3 |
0.455 |
0 |
0 |
0 |
0.000 |
| 27 |
46 |
|
A |
3 |
1 |
11802 |
f |
[PEG]A:906 |
x-1/2,-y+1/2,-z |
3_455 |
2 |
1 |
261 |
27.1 |
0.3 |
0.290 |
1 |
0 |
0 |
0.001 |
| 28 |
47 |
|
[MG]A:903 |
1 |
1 |
98 |
f |
[NAD]A:901 |
x,y,z |
1_555 |
3 |
1 |
864 |
26.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.060 |
48 |
|
[MG]C:903 |
1 |
1 |
98 |
f |
[NAD]C:901 |
x,y,z |
1_555 |
3 |
1 |
861 |
26.0 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.060 |
49 |
|
[MG]B:903 |
1 |
1 |
98 |
f |
[NAD]B:901 |
x,y,z |
1_555 |
3 |
1 |
854 |
25.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.060 |
50 |
|
[MG]D:903 |
1 |
1 |
98 |
f |
[NAD]D:901 |
x,y,z |
1_555 |
3 |
1 |
854 |
24.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
25.6 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.060 |
| 29 |
51 |
|
B |
3 |
2 |
11801 |
f |
[EDO]A:908 |
x-1/2,-y+1/2,-z |
3_455 |
2 |
1 |
184 |
17.2 |
0.4 |
0.844 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
[2YH]C:904 |
3 |
1 |
455 |
f |
[NAD]C:901 |
x,y,z |
1_555 |
4 |
1 |
861 |
13.1 |
0.2 |
0.120 |
0 |
0 |
0 |
0.000 |
| 31 |
53 |
|
[2YH]B:904 |
3 |
1 |
458 |
f |
[NAD]B:901 |
x,y,z |
1_555 |
3 |
1 |
854 |
12.4 |
0.2 |
0.064 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
[NA]D:902 |
1 |
1 |
125 |
f |
[NAD]D:901 |
x,y,z |
1_555 |
2 |
1 |
854 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
55 |
|
[NA]B:902 |
1 |
1 |
125 |
f |
[NAD]B:901 |
x,y,z |
1_555 |
2 |
1 |
854 |
4.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
4.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 33 |
56 |
|
C |
1 |
1 |
11110 |
◊ |
B |
x-1/2,-y+1/2,-z |
3_455 |
2 |
1 |
11801 |
5.3 |
0.2 |
0.776 |
0 |
0 |
0 |
0.000 |
| 34 |
57 |
|
B |
1 |
1 |
11801 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
11802 |
1.1 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
|