| ## |
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 |
114 |
38 |
16989 |
◊ |
C |
x,y,z |
1_555 |
96 |
30 |
18345 |
1013.7 |
-13.9 |
0.041 |
7 |
3 |
0 |
0.000 |
2 |
|
B |
87 |
28 |
17901 |
◊ |
A |
x,y,z |
1_555 |
104 |
35 |
16950 |
906.2 |
-12.2 |
0.063 |
7 |
3 |
0 |
0.000 |
3 |
|
C |
101 |
32 |
18345 |
◊ |
D |
x,y-1,z |
1_545 |
85 |
28 |
16989 |
860.1 |
-9.3 |
0.148 |
8 |
3 |
0 |
0.000 |
4 |
|
A |
81 |
27 |
16950 |
◊ |
B |
x-1,y,z |
1_455 |
98 |
31 |
17901 |
833.4 |
-7.5 |
0.210 |
8 |
3 |
0 |
0.000 |
| Average: |
903.3 |
-10.7 |
0.116 |
8 |
3 |
0 |
0.000 |
| 2 |
5 |
|
C |
64 |
18 |
18345 |
◊ |
B |
x,y-1,z |
1_545 |
43 |
12 |
17901 |
545.6 |
-2.5 |
0.503 |
10 |
0 |
0 |
0.000 |
6 |
|
C |
45 |
12 |
18345 |
◊ |
B |
x-1,y,z |
1_455 |
62 |
18 |
17901 |
535.6 |
-2.7 |
0.469 |
10 |
0 |
0 |
0.000 |
| Average: |
540.6 |
-2.6 |
0.486 |
10 |
0 |
0 |
0.000 |
| 3 |
7 |
|
D |
64 |
18 |
16989 |
◊ |
B |
x,y,z-1 |
1_554 |
58 |
19 |
17901 |
510.5 |
-2.8 |
0.473 |
7 |
0 |
0 |
0.000 |
| 4 |
8 |
|
C |
49 |
15 |
18345 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
16950 |
460.9 |
-4.8 |
0.203 |
5 |
0 |
0 |
0.000 |
9 |
|
D |
47 |
13 |
16989 |
◊ |
B |
x,y,z |
1_555 |
45 |
14 |
17901 |
427.6 |
-4.8 |
0.188 |
4 |
0 |
0 |
0.000 |
| Average: |
444.2 |
-4.8 |
0.195 |
5 |
0 |
0 |
0.000 |
| 5 |
10 |
|
C |
31 |
10 |
18345 |
◊ |
A |
x,y,z-1 |
1_554 |
30 |
9 |
16950 |
303.5 |
0.0 |
0.664 |
4 |
2 |
0 |
0.000 |
| 6 |
11 |
|
[B3N]A:701 |
19 |
1 |
587 |
f |
A |
x,y,z |
1_555 |
42 |
12 |
16950 |
289.7 |
1.7 |
0.405 |
2 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[B3N]B:700 |
21 |
1 |
585 |
f |
B |
x,y,z |
1_555 |
43 |
14 |
17901 |
260.0 |
1.8 |
0.329 |
3 |
0 |
0 |
0.000 |
13 |
|
[B3N]D:700 |
22 |
1 |
586 |
f |
D |
x,y,z |
1_555 |
42 |
14 |
16989 |
259.5 |
1.3 |
0.279 |
3 |
0 |
0 |
0.000 |
14 |
|
[B3N]A:700 |
22 |
1 |
584 |
f |
A |
x,y,z |
1_555 |
43 |
14 |
16950 |
258.9 |
1.3 |
0.270 |
3 |
0 |
0 |
0.000 |
15 |
|
[B3N]C:700 |
22 |
1 |
584 |
f |
C |
x,y,z |
1_555 |
43 |
14 |
18345 |
258.8 |
2.3 |
0.336 |
3 |
0 |
0 |
0.000 |
| Average: |
259.3 |
1.6 |
0.304 |
3 |
0 |
0 |
0.000 |
| 8 |
16 |
|
[B3N]B:701 |
16 |
1 |
586 |
◊ |
B |
x,y,z |
1_555 |
35 |
10 |
17901 |
241.1 |
1.8 |
0.446 |
0 |
0 |
0 |
0.000 |
17 |
|
[B3N]C:701 |
16 |
1 |
587 |
◊ |
C |
x,y,z |
1_555 |
35 |
10 |
18345 |
239.2 |
1.6 |
0.439 |
2 |
0 |
0 |
0.000 |
| Average: |
240.2 |
1.7 |
0.443 |
1 |
0 |
0 |
0.000 |
| 9 |
18 |
|
[B3N]D:701 |
15 |
1 |
584 |
◊ |
D |
x,y,z |
1_555 |
37 |
10 |
16989 |
237.0 |
-0.0 |
0.323 |
0 |
0 |
0 |
0.000 |
| 10 |
19 |
|
C |
27 |
11 |
18345 |
◊ |
[B3N]D:700 |
x,y-1,z |
1_545 |
15 |
1 |
586 |
173.4 |
0.1 |
0.325 |
1 |
0 |
0 |
0.000 |
20 |
|
[B3N]A:700 |
14 |
1 |
584 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
11 |
17901 |
171.8 |
0.1 |
0.322 |
1 |
0 |
0 |
0.000 |
21 |
|
[B3N]B:700 |
14 |
1 |
585 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
16950 |
171.2 |
-2.2 |
0.177 |
1 |
0 |
0 |
0.000 |
22 |
|
[B3N]C:700 |
14 |
1 |
584 |
◊ |
D |
x,y,z |
1_555 |
27 |
11 |
16989 |
168.7 |
-1.1 |
0.252 |
1 |
0 |
0 |
0.000 |
| Average: |
171.3 |
-0.8 |
0.269 |
1 |
0 |
0 |
0.000 |
| 11 |
23 |
|
C |
21 |
9 |
18345 |
◊ |
A |
x,y-1,z |
1_545 |
23 |
8 |
16950 |
171.1 |
-1.2 |
0.487 |
2 |
2 |
0 |
0.000 |
24 |
|
D |
23 |
8 |
16989 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
8 |
17901 |
148.7 |
-1.2 |
0.481 |
1 |
2 |
0 |
0.000 |
| Average: |
159.9 |
-1.2 |
0.484 |
2 |
2 |
0 |
0.000 |
| 12 |
25 |
|
D |
19 |
8 |
16989 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
7 |
16950 |
161.9 |
0.3 |
0.681 |
0 |
0 |
0 |
0.000 |
| 13 |
26 |
|
[GOL]D:803 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
16989 |
142.2 |
-0.2 |
0.580 |
8 |
0 |
0 |
0.002 |
| 14 |
27 |
|
[GOL]B:802 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
17901 |
140.7 |
-0.2 |
0.588 |
8 |
0 |
0 |
0.002 |
28 |
|
[GOL]A:802 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
16950 |
138.9 |
-0.3 |
0.564 |
8 |
0 |
0 |
0.002 |
| Average: |
139.8 |
-0.3 |
0.576 |
8 |
0 |
0 |
0.002 |
| 15 |
29 |
|
[GOL]C:802 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
18345 |
138.6 |
-0.2 |
0.576 |
8 |
0 |
0 |
0.002 |
| 16 |
30 |
|
[GOL]B:800 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
17901 |
138.2 |
-1.4 |
0.400 |
6 |
0 |
0 |
0.003 |
| 17 |
31 |
|
[GOL]D:800 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
16989 |
136.8 |
1.1 |
0.680 |
2 |
0 |
0 |
0.000 |
| 18 |
32 |
|
[GOL]C:803 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
18345 |
118.0 |
-0.2 |
0.564 |
4 |
0 |
0 |
0.001 |
| 19 |
33 |
|
[K]B:601 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
17901 |
113.1 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
34 |
|
[K]A:601 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
16950 |
113.0 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
35 |
|
[K]C:601 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
18345 |
112.8 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
36 |
|
[K]D:601 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
16989 |
112.7 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
| Average: |
112.9 |
-108.2 |
0.000 |
0 |
0 |
0 |
0.070 |
| 20 |
37 |
|
[GOL]B:801 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
17901 |
101.9 |
-1.0 |
0.415 |
5 |
0 |
0 |
0.002 |
38 |
|
[GOL]C:800 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
18345 |
96.1 |
-0.9 |
0.437 |
5 |
0 |
0 |
0.002 |
| Average: |
99.0 |
-1.0 |
0.426 |
5 |
0 |
0 |
0.002 |
| 21 |
39 |
|
[GOL]D:801 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
16989 |
97.9 |
-1.0 |
0.440 |
5 |
0 |
0 |
0.002 |
40 |
|
[GOL]A:800 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
16950 |
96.3 |
-1.0 |
0.425 |
5 |
0 |
0 |
0.002 |
| Average: |
97.1 |
-1.0 |
0.432 |
5 |
0 |
0 |
0.002 |
| 22 |
41 |
|
[B3N]C:701 |
12 |
1 |
587 |
◊ |
[B3N]B:701 |
x-1,y-1,z |
1_445 |
12 |
1 |
586 |
90.2 |
4.5 |
0.446 |
0 |
0 |
0 |
0.000 |
| 23 |
42 |
|
[GOL]C:801 |
5 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
12 |
7 |
16989 |
88.4 |
0.8 |
0.709 |
2 |
0 |
0 |
0.000 |
43 |
|
[GOL]A:801 |
6 |
1 |
219 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
6 |
17901 |
87.0 |
0.9 |
0.702 |
2 |
0 |
0 |
0.000 |
| Average: |
87.7 |
0.9 |
0.706 |
2 |
0 |
0 |
0.000 |
| 24 |
44 |
|
C |
12 |
7 |
18345 |
◊ |
[GOL]D:802 |
x,y-1,z |
1_545 |
6 |
1 |
220 |
84.0 |
0.8 |
0.713 |
2 |
0 |
0 |
0.000 |
| 25 |
45 |
|
[B3N]C:701 |
8 |
1 |
587 |
f |
B |
x-1,y-1,z |
1_445 |
10 |
4 |
17901 |
67.9 |
0.4 |
0.425 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
10 |
4 |
18345 |
f |
[B3N]B:701 |
x-1,y-1,z |
1_445 |
7 |
1 |
586 |
58.9 |
-0.0 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
63.4 |
0.2 |
0.400 |
0 |
0 |
0 |
0.000 |
| 26 |
47 |
|
[GOL]D:802 |
5 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
16989 |
64.1 |
0.0 |
0.626 |
1 |
0 |
0 |
0.000 |
| 27 |
48 |
|
[GOL]C:801 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
18345 |
62.3 |
0.3 |
0.625 |
1 |
0 |
0 |
0.000 |
49 |
|
[GOL]A:801 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
16950 |
61.7 |
0.3 |
0.648 |
1 |
0 |
0 |
0.000 |
| Average: |
62.0 |
0.3 |
0.636 |
1 |
0 |
0 |
0.000 |
| 28 |
50 |
|
[GOL]C:803 |
4 |
1 |
218 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
16950 |
54.1 |
-0.5 |
0.342 |
1 |
0 |
0 |
0.000 |
| 29 |
51 |
|
[GOL]B:801 |
6 |
1 |
219 |
f |
[B3N]B:700 |
x,y,z |
1_555 |
11 |
1 |
585 |
52.2 |
-0.5 |
0.245 |
0 |
0 |
0 |
0.000 |
52 |
|
[GOL]C:800 |
6 |
1 |
220 |
f |
[B3N]C:700 |
x,y,z |
1_555 |
12 |
1 |
584 |
50.2 |
-0.5 |
0.239 |
0 |
0 |
0 |
0.000 |
| Average: |
51.2 |
-0.5 |
0.242 |
0 |
0 |
0 |
0.000 |
| 30 |
53 |
|
[GOL]A:800 |
5 |
1 |
216 |
f |
[B3N]A:700 |
x,y,z |
1_555 |
11 |
1 |
584 |
50.3 |
-0.1 |
0.276 |
0 |
0 |
0 |
0.000 |
54 |
|
[GOL]D:801 |
6 |
1 |
219 |
f |
[B3N]D:700 |
x,y,z |
1_555 |
12 |
1 |
586 |
50.1 |
-0.1 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
50.2 |
-0.1 |
0.282 |
0 |
0 |
0 |
0.000 |
| 31 |
55 |
|
A |
3 |
1 |
16950 |
f |
[B3N]D:701 |
x-1,y,z+1 |
1_456 |
4 |
1 |
584 |
46.1 |
0.9 |
0.511 |
3 |
0 |
0 |
0.000 |
| 32 |
56 |
|
A |
5 |
1 |
16950 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
1 |
17901 |
41.6 |
-0.7 |
0.303 |
0 |
0 |
0 |
0.000 |
| 33 |
57 |
|
[GOL]B:801 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
4 |
16950 |
36.6 |
-0.2 |
0.405 |
0 |
0 |
0 |
0.000 |
58 |
|
[GOL]C:800 |
4 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
5 |
4 |
16989 |
34.0 |
-0.2 |
0.401 |
0 |
0 |
0 |
0.000 |
| Average: |
35.3 |
-0.2 |
0.403 |
0 |
0 |
0 |
0.000 |
| 34 |
59 |
|
[ZN]A:500 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
16950 |
35.8 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.017 |
60 |
|
[ZN]C:500 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
7 |
18345 |
35.7 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.017 |
61 |
|
[ZN]B:500 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
17901 |
35.7 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.017 |
62 |
|
[ZN]D:500 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
16989 |
35.6 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
35.7 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.017 |
| 35 |
63 |
|
C |
5 |
4 |
18345 |
◊ |
[GOL]D:801 |
x,y-1,z |
1_545 |
3 |
1 |
219 |
31.4 |
-0.3 |
0.403 |
0 |
0 |
0 |
0.000 |
64 |
|
[GOL]A:800 |
3 |
1 |
216 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
4 |
17901 |
31.3 |
-0.2 |
0.421 |
0 |
0 |
0 |
0.000 |
| Average: |
31.4 |
-0.2 |
0.412 |
0 |
0 |
0 |
0.000 |
| 36 |
65 |
|
[B3N]D:700 |
4 |
1 |
586 |
f |
[ZN]D:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.0 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.009 |
66 |
|
[B3N]B:700 |
4 |
1 |
585 |
f |
[ZN]B:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.9 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.009 |
67 |
|
[B3N]A:700 |
4 |
1 |
584 |
f |
[ZN]A:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.6 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.009 |
68 |
|
[B3N]C:700 |
4 |
1 |
584 |
f |
[ZN]C:500 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.5 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.009 |
| Average: |
29.7 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.009 |
| 37 |
69 |
|
C |
6 |
2 |
18345 |
◊ |
B |
x-1,y-1,z |
1_445 |
5 |
2 |
17901 |
28.1 |
0.4 |
0.735 |
0 |
0 |
0 |
0.000 |
| 38 |
70 |
|
[GOL]A:801 |
3 |
1 |
219 |
f |
[GOL]A:800 |
x,y,z |
1_555 |
2 |
1 |
216 |
19.8 |
0.4 |
0.612 |
1 |
0 |
0 |
0.000 |
| 39 |
71 |
|
[GOL]D:802 |
3 |
1 |
220 |
f |
[GOL]D:801 |
x,y,z |
1_555 |
2 |
1 |
219 |
19.8 |
0.4 |
0.750 |
1 |
0 |
0 |
0.000 |
| 40 |
72 |
|
[GOL]C:801 |
3 |
1 |
220 |
f |
[GOL]C:800 |
x,y,z |
1_555 |
2 |
1 |
220 |
19.4 |
0.4 |
0.540 |
1 |
0 |
0 |
0.000 |
| 41 |
73 |
|
[GOL]A:802 |
2 |
1 |
219 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
17901 |
4.2 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
| 42 |
74 |
|
C |
1 |
1 |
18345 |
◊ |
[GOL]D:803 |
x,y-1,z |
1_545 |
1 |
1 |
220 |
0.6 |
0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
|