| ## |
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 |
|
H |
327 |
83 |
12828 |
◊ |
G |
x,y,z |
1_555 |
332 |
85 |
12702 |
3190.3 |
-37.8 |
0.033 |
43 |
13 |
0 |
0.998 |
2 |
|
J |
322 |
83 |
12687 |
◊ |
I |
x,y,z |
1_555 |
334 |
83 |
12832 |
3174.4 |
-40.2 |
0.025 |
38 |
10 |
0 |
0.998 |
3 |
|
B |
332 |
84 |
12763 |
◊ |
A |
x,y,z |
1_555 |
333 |
84 |
12849 |
3155.7 |
-39.1 |
0.025 |
39 |
9 |
0 |
0.998 |
4 |
|
F |
329 |
84 |
12606 |
◊ |
E |
x,y,z |
1_555 |
332 |
84 |
12875 |
3138.7 |
-39.2 |
0.028 |
41 |
11 |
0 |
0.998 |
5 |
|
D |
328 |
84 |
12584 |
◊ |
C |
x,y,z |
1_555 |
326 |
84 |
12704 |
3125.6 |
-40.7 |
0.021 |
38 |
9 |
0 |
0.998 |
| Average: |
3156.9 |
-39.4 |
0.026 |
40 |
10 |
0 |
0.998 |
| 2 |
6 |
|
G |
87 |
19 |
12702 |
◊ |
F |
x-1,y-1,z |
1_445 |
90 |
21 |
12606 |
817.2 |
5.2 |
0.945 |
8 |
15 |
0 |
0.000 |
7 |
|
B |
79 |
18 |
12763 |
◊ |
D |
x,y-1,z-1 |
1_544 |
74 |
18 |
12584 |
693.6 |
3.5 |
0.899 |
6 |
14 |
0 |
0.000 |
| Average: |
755.4 |
4.3 |
0.922 |
7 |
15 |
0 |
0.000 |
| 3 |
8 |
|
E |
78 |
22 |
12875 |
◊ |
A |
x,y,z |
1_555 |
75 |
22 |
12849 |
724.1 |
-7.8 |
0.254 |
6 |
0 |
0 |
0.118 |
9 |
|
I |
70 |
20 |
12832 |
◊ |
D |
x,y,z |
1_555 |
75 |
22 |
12584 |
723.5 |
-7.3 |
0.266 |
5 |
0 |
0 |
0.118 |
10 |
|
F |
75 |
21 |
12606 |
◊ |
C |
x,y,z |
1_555 |
75 |
19 |
12704 |
720.7 |
-7.0 |
0.288 |
4 |
0 |
0 |
0.118 |
11 |
|
J |
76 |
20 |
12687 |
◊ |
G |
x,y,z |
1_555 |
72 |
19 |
12702 |
717.6 |
-7.1 |
0.262 |
4 |
0 |
0 |
0.118 |
12 |
|
H |
79 |
19 |
12828 |
◊ |
B |
x,y,z |
1_555 |
73 |
19 |
12763 |
713.9 |
-7.1 |
0.270 |
2 |
0 |
0 |
0.118 |
| Average: |
720.0 |
-7.3 |
0.268 |
4 |
0 |
0 |
0.118 |
| 4 |
13 |
|
G |
39 |
11 |
12702 |
◊ |
B |
x,y,z |
1_555 |
43 |
12 |
12763 |
402.7 |
-2.3 |
0.490 |
4 |
3 |
0 |
0.122 |
14 |
|
H |
45 |
13 |
12828 |
◊ |
A |
x,y,z |
1_555 |
41 |
12 |
12849 |
400.2 |
-4.7 |
0.288 |
2 |
1 |
0 |
0.122 |
15 |
|
I |
39 |
11 |
12832 |
◊ |
G |
x,y,z |
1_555 |
40 |
12 |
12702 |
395.1 |
-3.1 |
0.422 |
3 |
3 |
0 |
0.122 |
16 |
|
F |
38 |
10 |
12606 |
◊ |
A |
x,y,z |
1_555 |
47 |
13 |
12849 |
395.1 |
-2.4 |
0.494 |
2 |
3 |
0 |
0.122 |
17 |
|
J |
35 |
10 |
12687 |
◊ |
D |
x,y,z |
1_555 |
43 |
13 |
12584 |
393.6 |
-2.9 |
0.434 |
3 |
3 |
0 |
0.122 |
18 |
|
I |
42 |
12 |
12832 |
◊ |
C |
x,y,z |
1_555 |
41 |
11 |
12704 |
392.0 |
-3.5 |
0.398 |
2 |
1 |
0 |
0.122 |
19 |
|
E |
43 |
12 |
12875 |
◊ |
B |
x,y,z |
1_555 |
37 |
10 |
12763 |
390.6 |
-3.3 |
0.398 |
4 |
3 |
0 |
0.122 |
20 |
|
F |
44 |
13 |
12606 |
◊ |
D |
x,y,z |
1_555 |
35 |
10 |
12584 |
387.6 |
-1.9 |
0.519 |
3 |
4 |
0 |
0.122 |
21 |
|
E |
42 |
12 |
12875 |
◊ |
C |
x,y,z |
1_555 |
44 |
13 |
12704 |
384.2 |
-5.0 |
0.264 |
2 |
1 |
0 |
0.122 |
22 |
|
J |
41 |
13 |
12687 |
◊ |
H |
x,y,z |
1_555 |
39 |
11 |
12828 |
373.8 |
-2.6 |
0.465 |
2 |
2 |
0 |
0.122 |
| Average: |
391.5 |
-3.2 |
0.417 |
3 |
2 |
0 |
0.122 |
| 5 |
23 |
|
A |
42 |
15 |
12849 |
◊ |
I |
x,y,z-1 |
1_554 |
35 |
14 |
12832 |
319.9 |
0.4 |
0.734 |
3 |
1 |
0 |
0.000 |
| 6 |
24 |
|
H |
43 |
15 |
12828 |
◊ |
B |
x-1,y,z |
1_455 |
39 |
14 |
12763 |
316.1 |
0.9 |
0.763 |
4 |
0 |
0 |
0.000 |
| 7 |
25 |
|
[CIT]D:301 |
12 |
1 |
310 |
◊ |
D |
x,y,z |
1_555 |
20 |
9 |
12584 |
148.5 |
1.7 |
0.433 |
3 |
0 |
0 |
0.000 |
26 |
|
[CIT]G:301 |
12 |
1 |
310 |
◊ |
G |
x,y,z |
1_555 |
21 |
9 |
12702 |
147.8 |
1.0 |
0.508 |
2 |
0 |
0 |
0.000 |
27 |
|
[CIT]J:301 |
12 |
1 |
309 |
◊ |
J |
x,y,z |
1_555 |
20 |
9 |
12687 |
146.8 |
2.0 |
0.482 |
2 |
0 |
0 |
0.000 |
28 |
|
[CIT]I:301 |
12 |
1 |
309 |
◊ |
I |
x,y,z |
1_555 |
21 |
9 |
12832 |
146.2 |
1.1 |
0.500 |
1 |
0 |
0 |
0.000 |
29 |
|
[CIT]A:301 |
11 |
1 |
310 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
12849 |
145.2 |
1.7 |
0.471 |
4 |
0 |
0 |
0.000 |
30 |
|
[CIT]F:301 |
12 |
1 |
308 |
◊ |
F |
x,y,z |
1_555 |
18 |
9 |
12606 |
144.5 |
0.8 |
0.383 |
3 |
0 |
0 |
0.000 |
31 |
|
[CIT]H:301 |
12 |
1 |
307 |
◊ |
H |
x,y,z |
1_555 |
18 |
9 |
12828 |
143.1 |
2.1 |
0.550 |
3 |
0 |
0 |
0.000 |
32 |
|
[CIT]E:301 |
12 |
1 |
309 |
◊ |
E |
x,y,z |
1_555 |
18 |
8 |
12875 |
139.9 |
2.9 |
0.651 |
4 |
0 |
0 |
0.000 |
| Average: |
145.3 |
1.7 |
0.497 |
3 |
0 |
0 |
0.000 |
| 8 |
33 |
|
[CIT]C:301 |
12 |
1 |
313 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
12704 |
145.2 |
3.3 |
0.668 |
2 |
0 |
0 |
0.000 |
| 9 |
34 |
|
[CIT]B:301 |
12 |
1 |
308 |
◊ |
B |
x,y,z |
1_555 |
18 |
9 |
12763 |
143.4 |
2.6 |
0.672 |
3 |
0 |
0 |
0.000 |
| 10 |
35 |
|
A |
19 |
6 |
12849 |
◊ |
D |
x,y-1,z-1 |
1_544 |
10 |
2 |
12584 |
128.0 |
2.4 |
0.857 |
3 |
2 |
0 |
0.000 |
36 |
|
H |
15 |
6 |
12828 |
◊ |
F |
x-1,y-1,z |
1_445 |
15 |
5 |
12606 |
121.9 |
1.2 |
0.788 |
1 |
1 |
0 |
0.000 |
37 |
|
B |
11 |
2 |
12763 |
◊ |
C |
x,y-1,z-1 |
1_544 |
13 |
5 |
12704 |
111.1 |
1.2 |
0.796 |
0 |
0 |
0 |
0.000 |
38 |
|
G |
9 |
2 |
12702 |
◊ |
E |
x-1,y-1,z |
1_445 |
11 |
3 |
12875 |
79.9 |
0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
| Average: |
110.2 |
1.3 |
0.777 |
1 |
1 |
0 |
0.000 |
| 11 |
39 |
|
[CIT]E:301 |
9 |
1 |
309 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
12606 |
86.1 |
-0.2 |
0.223 |
0 |
0 |
0 |
0.000 |
40 |
|
[CIT]F:301 |
9 |
1 |
308 |
◊ |
E |
x,y,z |
1_555 |
9 |
5 |
12875 |
84.4 |
0.0 |
0.202 |
0 |
0 |
0 |
0.000 |
41 |
|
[CIT]A:301 |
7 |
1 |
310 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12763 |
82.1 |
0.0 |
0.212 |
0 |
0 |
0 |
0.000 |
42 |
|
[CIT]H:301 |
9 |
1 |
307 |
◊ |
G |
x,y,z |
1_555 |
8 |
4 |
12702 |
80.4 |
-0.2 |
0.202 |
0 |
0 |
0 |
0.000 |
43 |
|
[CIT]I:301 |
9 |
1 |
309 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
12687 |
80.1 |
0.3 |
0.234 |
0 |
0 |
0 |
0.000 |
44 |
|
[CIT]G:301 |
8 |
1 |
310 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
12828 |
78.4 |
0.3 |
0.255 |
0 |
0 |
0 |
0.000 |
45 |
|
[CIT]J:301 |
8 |
1 |
309 |
◊ |
I |
x,y,z |
1_555 |
8 |
4 |
12832 |
78.2 |
-0.0 |
0.215 |
0 |
0 |
0 |
0.000 |
46 |
|
[CIT]D:301 |
8 |
1 |
310 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12704 |
77.8 |
0.1 |
0.198 |
0 |
0 |
0 |
0.000 |
| Average: |
80.9 |
0.0 |
0.217 |
0 |
0 |
0 |
0.000 |
| 12 |
47 |
|
J |
9 |
5 |
12687 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
4 |
12704 |
82.5 |
-0.5 |
0.518 |
0 |
0 |
0 |
0.000 |
| 13 |
48 |
|
[CIT]C:301 |
8 |
1 |
313 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
12584 |
82.2 |
-0.7 |
0.201 |
0 |
0 |
0 |
0.002 |
| 14 |
49 |
|
[CIT]B:301 |
9 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
12849 |
81.6 |
-0.8 |
0.210 |
0 |
0 |
0 |
0.002 |
| 15 |
50 |
|
H |
11 |
7 |
12828 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
9 |
5 |
12704 |
66.2 |
1.6 |
0.856 |
1 |
3 |
0 |
0.000 |
| 16 |
51 |
|
G |
3 |
1 |
12702 |
◊ |
D |
x-1,y-1,z |
1_445 |
3 |
1 |
12584 |
30.5 |
0.3 |
0.572 |
0 |
1 |
0 |
0.000 |
| 17 |
52 |
|
[CIT]D:301 |
2 |
1 |
310 |
f |
I |
x,y,z |
1_555 |
3 |
1 |
12832 |
22.7 |
-0.1 |
0.285 |
0 |
0 |
0 |
0.100 |
53 |
|
[CIT]G:301 |
2 |
1 |
310 |
f |
J |
x,y,z |
1_555 |
2 |
1 |
12687 |
21.7 |
-0.1 |
0.281 |
0 |
0 |
0 |
0.100 |
54 |
|
[CIT]H:301 |
2 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
12763 |
21.5 |
-1.4 |
0.186 |
0 |
0 |
0 |
0.100 |
55 |
|
[CIT]F:301 |
3 |
1 |
308 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
12704 |
21.5 |
-0.1 |
0.301 |
0 |
0 |
0 |
0.100 |
56 |
|
[CIT]I:301 |
2 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
12584 |
20.7 |
-0.1 |
0.267 |
0 |
0 |
0 |
0.100 |
57 |
|
[CIT]A:301 |
2 |
1 |
310 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
12875 |
19.5 |
-0.1 |
0.259 |
0 |
0 |
0 |
0.100 |
58 |
|
[CIT]E:301 |
3 |
1 |
309 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
12849 |
16.5 |
-0.7 |
0.318 |
0 |
0 |
0 |
0.100 |
| Average: |
20.6 |
-0.3 |
0.271 |
0 |
0 |
0 |
0.100 |
| 18 |
59 |
|
A |
7 |
3 |
12849 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
6 |
2 |
12704 |
22.5 |
-0.1 |
0.616 |
0 |
0 |
0 |
0.000 |
| 19 |
60 |
|
[CIT]B:301 |
2 |
1 |
308 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
12828 |
20.9 |
-1.3 |
0.222 |
0 |
0 |
0 |
0.100 |
61 |
|
[CIT]C:301 |
2 |
1 |
313 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
12606 |
18.1 |
-1.2 |
0.202 |
0 |
0 |
0 |
0.100 |
| Average: |
19.5 |
-1.3 |
0.212 |
0 |
0 |
0 |
0.100 |
| 20 |
62 |
|
[CIT]J:301 |
2 |
1 |
309 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
12702 |
20.8 |
-1.2 |
0.186 |
0 |
0 |
0 |
0.100 |
| 21 |
63 |
|
F |
4 |
3 |
12606 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
2 |
12704 |
18.9 |
0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
| 22 |
64 |
|
J |
1 |
1 |
12687 |
◊ |
E |
x-1,y,z |
1_455 |
4 |
2 |
12875 |
5.3 |
0.3 |
0.801 |
0 |
0 |
0 |
0.000 |
| 23 |
65 |
|
H |
1 |
1 |
12828 |
◊ |
D |
x-1,y-1,z-1 |
1_444 |
1 |
1 |
12584 |
3.6 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
| 24 |
66 |
|
D |
2 |
1 |
12584 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
12875 |
1.6 |
0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|