| ## |
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 |
|
C |
73 |
15 |
3458 |
◊ |
B |
x,y,z |
1_555 |
68 |
14 |
3490 |
640.0 |
-8.4 |
0.670 |
28 |
0 |
0 |
0.801 |
2 |
|
F |
71 |
15 |
3474 |
◊ |
E |
x,y,z |
1_555 |
64 |
14 |
3477 |
619.1 |
-7.2 |
0.685 |
30 |
0 |
0 |
0.801 |
| Average: |
629.5 |
-7.8 |
0.678 |
29 |
0 |
0 |
0.801 |
| 2 |
3 |
|
B |
62 |
11 |
3490 |
◊ |
A |
x,y,z |
1_555 |
60 |
17 |
5158 |
588.3 |
-3.4 |
0.479 |
10 |
0 |
0 |
0.470 |
4 |
|
E |
50 |
10 |
3477 |
◊ |
D |
x,y,z |
1_555 |
44 |
12 |
4578 |
423.8 |
-3.0 |
0.539 |
8 |
0 |
0 |
0.470 |
| Average: |
506.0 |
-3.2 |
0.509 |
9 |
0 |
0 |
0.470 |
| 3 |
5 |
|
C |
51 |
6 |
3458 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
5158 |
455.2 |
-0.0 |
0.813 |
10 |
0 |
0 |
0.311 |
6 |
|
F |
44 |
6 |
3474 |
◊ |
D |
x,y,z |
1_555 |
40 |
12 |
4578 |
399.9 |
-4.1 |
0.664 |
9 |
0 |
0 |
0.311 |
| Average: |
427.6 |
-2.0 |
0.739 |
10 |
0 |
0 |
0.311 |
| 4 |
7 |
|
D |
50 |
11 |
4578 |
◊ |
A |
y,x,-z+1 |
7_556 |
47 |
12 |
5158 |
434.0 |
-1.1 |
0.455 |
6 |
8 |
0 |
0.093 |
| 5 |
8 |
|
[C2S]B:7 |
18 |
1 |
483 |
cf |
B |
x,y,z |
1_555 |
29 |
2 |
3490 |
232.9 |
4.5 |
0.772 |
0 |
0 |
0 |
0.000 |
9 |
|
[C2S]E:7 |
18 |
1 |
486 |
cf |
E |
x,y,z |
1_555 |
28 |
2 |
3477 |
231.8 |
4.3 |
0.757 |
0 |
0 |
0 |
0.000 |
| Average: |
232.3 |
4.4 |
0.765 |
0 |
0 |
0 |
0.000 |
| 6 |
10 |
|
F |
20 |
3 |
3474 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
5158 |
157.1 |
-3.0 |
0.492 |
4 |
0 |
0 |
0.090 |
| 7 |
11 |
|
[C2S]B:7 |
10 |
1 |
483 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
5158 |
119.3 |
-2.0 |
0.273 |
1 |
0 |
0 |
0.149 |
12 |
|
[C2S]E:7 |
6 |
1 |
486 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
4578 |
98.4 |
-2.6 |
0.128 |
0 |
0 |
0 |
0.149 |
| Average: |
108.9 |
-2.3 |
0.200 |
1 |
0 |
0 |
0.149 |
| 8 |
13 |
|
E |
15 |
1 |
3477 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
14 |
1 |
3490 |
106.2 |
3.5 |
0.808 |
1 |
0 |
0 |
0.000 |
14 |
|
E |
13 |
1 |
3477 |
◊ |
B |
-y-1,-x,-z+1/2 |
8_455 |
15 |
1 |
3490 |
104.3 |
3.4 |
0.805 |
1 |
0 |
0 |
0.000 |
| Average: |
105.3 |
3.5 |
0.807 |
1 |
0 |
0 |
0.000 |
| 9 |
15 |
|
E |
10 |
3 |
3477 |
◊ |
C |
-y-1,-x,-z+1/2 |
8_455 |
14 |
3 |
3458 |
88.7 |
-0.5 |
0.625 |
1 |
0 |
0 |
0.000 |
16 |
|
F |
12 |
2 |
3474 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
9 |
2 |
3490 |
85.3 |
-0.5 |
0.588 |
1 |
0 |
0 |
0.000 |
| Average: |
87.0 |
-0.5 |
0.606 |
1 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[C2S]B:7 |
6 |
1 |
483 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
3458 |
76.4 |
-0.1 |
0.553 |
5 |
0 |
0 |
0.091 |
18 |
|
[C2S]E:7 |
6 |
1 |
486 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
3474 |
74.2 |
0.3 |
0.560 |
5 |
0 |
0 |
0.091 |
| Average: |
75.3 |
0.1 |
0.556 |
5 |
0 |
0 |
0.091 |
| 11 |
19 |
|
C |
9 |
2 |
3458 |
◊ |
A |
-y-1/2,x-1/2,z-1/4 |
3_444 |
7 |
1 |
5158 |
76.3 |
-2.4 |
0.409 |
1 |
0 |
0 |
0.000 |
| 12 |
20 |
|
F |
13 |
1 |
3474 |
◊ |
C |
-y-1,-x,-z+1/2 |
8_455 |
10 |
1 |
3458 |
74.6 |
-0.6 |
0.692 |
0 |
0 |
0 |
0.000 |
21 |
|
F |
8 |
1 |
3474 |
◊ |
C |
-y,-x,-z+1/2 |
8_555 |
10 |
1 |
3458 |
54.9 |
-0.7 |
0.644 |
0 |
0 |
0 |
0.000 |
| Average: |
64.8 |
-0.6 |
0.668 |
0 |
0 |
0 |
0.000 |
| 13 |
22 |
|
B |
18 |
3 |
3490 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
8 |
3 |
5158 |
73.4 |
1.9 |
0.755 |
0 |
0 |
0 |
0.000 |
| 14 |
23 |
|
D |
8 |
4 |
4578 |
◊ |
D |
y,x,-z+1 |
7_556 |
8 |
4 |
4578 |
70.3 |
1.9 |
0.833 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[MPD]C:101 |
3 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
8 |
1 |
5158 |
59.3 |
-3.6 |
0.539 |
0 |
0 |
0 |
0.219 |
| 16 |
25 |
|
[MPD]F:101 |
4 |
1 |
279 |
f |
[MPD]D:101 |
x,y,z |
1_555 |
3 |
1 |
280 |
52.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.195 |
| 17 |
26 |
|
[MPD]F:101 |
5 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
4578 |
49.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.125 |
| 18 |
27 |
|
B |
6 |
3 |
3490 |
◊ |
D |
-x,-y,z-1/2 |
2_554 |
6 |
1 |
4578 |
46.0 |
-1.9 |
0.325 |
1 |
0 |
0 |
0.000 |
| 19 |
28 |
|
[NI]B:101 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
3490 |
44.5 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.916 |
29 |
|
[NI]E:101 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
3477 |
39.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.916 |
| Average: |
41.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.916 |
| 20 |
30 |
|
F |
5 |
2 |
3474 |
◊ |
D |
y,x,-z+1 |
7_556 |
4 |
2 |
4578 |
44.2 |
1.0 |
0.770 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[MPD]F:101 |
3 |
1 |
279 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
3474 |
42.2 |
-3.1 |
0.602 |
1 |
0 |
0 |
0.137 |
| 22 |
32 |
|
[NI]D:102 |
1 |
1 |
115 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
4578 |
39.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.155 |
33 |
|
[NI]D:102 |
1 |
1 |
115 |
◊ |
A |
y,x,-z+1 |
7_556 |
3 |
2 |
5158 |
38.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.155 |
| Average: |
38.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.155 |
| 23 |
34 |
|
[MPD]D:101 |
4 |
1 |
280 |
◊ |
D |
x,y,z |
1_555 |
7 |
1 |
4578 |
37.3 |
-2.2 |
0.702 |
0 |
0 |
0 |
0.084 |
| 24 |
35 |
|
[MPD]C:101 |
5 |
1 |
279 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
3458 |
35.5 |
-2.8 |
0.000 |
1 |
0 |
0 |
0.066 |
| 25 |
36 |
|
F |
3 |
1 |
3474 |
◊ |
A |
x-1/2,-y-1/2,-z+1/4 |
6_445 |
3 |
1 |
5158 |
35.5 |
-2.1 |
0.185 |
0 |
0 |
0 |
0.000 |
| 26 |
37 |
|
[MPD]D:101 |
5 |
1 |
280 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
3477 |
33.2 |
-2.1 |
0.000 |
1 |
0 |
0 |
0.070 |
| 27 |
38 |
|
[NI]D:102 |
1 |
1 |
115 |
f |
D |
y,x,-z+1 |
7_556 |
5 |
3 |
4578 |
30.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.113 |
| 28 |
39 |
|
[MPD]F:101 |
1 |
1 |
279 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
3477 |
24.6 |
-0.5 |
0.625 |
0 |
0 |
0 |
0.013 |
| 29 |
40 |
|
A |
4 |
1 |
5158 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
4 |
1 |
5158 |
23.6 |
0.5 |
0.714 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
[MPD]C:101 |
1 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
3490 |
18.7 |
-1.6 |
0.559 |
0 |
0 |
0 |
0.094 |
| 31 |
42 |
|
[MPD]D:101 |
2 |
1 |
280 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
3474 |
16.8 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.035 |
| 32 |
43 |
|
[MPD]C:101 |
1 |
1 |
279 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
3477 |
13.1 |
-1.0 |
0.602 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
[NI]B:101 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
3458 |
11.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.066 |
45 |
|
[NI]E:101 |
1 |
1 |
115 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
3474 |
8.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
9.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.066 |
| 34 |
46 |
|
C |
3 |
2 |
3458 |
◊ |
D |
-x-1/2,y-1/2,-z+3/4 |
5_445 |
3 |
3 |
4578 |
9.8 |
-0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
| 35 |
47 |
|
D |
1 |
1 |
4578 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
5158 |
2.7 |
-0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
| 36 |
48 |
|
E |
1 |
1 |
3477 |
◊ |
D |
-y-1/2,x+1/2,z-1/4 |
3_454 |
1 |
1 |
4578 |
2.6 |
-0.2 |
0.297 |
0 |
0 |
0 |
0.000 |
| 37 |
49 |
|
F |
1 |
1 |
3474 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
1 |
1 |
3474 |
1.2 |
-0.1 |
0.336 |
0 |
0 |
0 |
0.000 |
|