| ## |
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 |
252 |
63 |
18397 |
◊ |
B |
x,y,z |
1_555 |
261 |
70 |
18346 |
2506.8 |
-28.3 |
0.110 |
22 |
5 |
0 |
0.999 |
2 |
|
B |
255 |
64 |
18346 |
◊ |
A |
x,y,z |
1_555 |
272 |
71 |
18463 |
2481.9 |
-26.7 |
0.159 |
25 |
5 |
0 |
0.999 |
3 |
|
G |
256 |
65 |
18337 |
◊ |
F |
x,y,z |
1_555 |
270 |
71 |
18562 |
2475.7 |
-26.2 |
0.215 |
22 |
4 |
0 |
0.999 |
4 |
|
J |
273 |
73 |
18297 |
◊ |
F |
x,y,z |
1_555 |
253 |
66 |
18562 |
2468.4 |
-28.3 |
0.124 |
27 |
4 |
0 |
0.999 |
5 |
|
H |
254 |
66 |
18291 |
◊ |
G |
x,y,z |
1_555 |
269 |
71 |
18337 |
2457.7 |
-28.2 |
0.120 |
24 |
3 |
0 |
0.999 |
6 |
|
I |
255 |
63 |
18440 |
◊ |
H |
x,y,z |
1_555 |
272 |
70 |
18291 |
2452.3 |
-26.5 |
0.157 |
25 |
4 |
0 |
0.999 |
7 |
|
D |
252 |
61 |
18380 |
◊ |
C |
x,y,z |
1_555 |
265 |
71 |
18397 |
2426.3 |
-25.6 |
0.193 |
22 |
3 |
0 |
0.999 |
8 |
|
E |
271 |
71 |
18378 |
◊ |
A |
x,y,z |
1_555 |
254 |
62 |
18463 |
2410.2 |
-26.3 |
0.157 |
22 |
3 |
0 |
0.999 |
9 |
|
J |
250 |
64 |
18297 |
◊ |
I |
x,y,z |
1_555 |
254 |
72 |
18440 |
2402.6 |
-24.9 |
0.148 |
24 |
4 |
0 |
0.999 |
10 |
|
E |
242 |
63 |
18378 |
◊ |
D |
x,y,z |
1_555 |
246 |
70 |
18380 |
2352.5 |
-28.2 |
0.091 |
19 |
2 |
0 |
0.999 |
| Average: |
2443.4 |
-26.9 |
0.148 |
23 |
4 |
0 |
0.999 |
| 2 |
11 |
|
I |
77 |
24 |
18440 |
◊ |
B |
x,y,z |
1_555 |
72 |
24 |
18346 |
630.7 |
4.9 |
0.945 |
7 |
7 |
0 |
0.000 |
12 |
|
G |
64 |
21 |
18337 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
70 |
22 |
18380 |
602.3 |
3.6 |
0.933 |
8 |
6 |
0 |
0.000 |
| Average: |
616.5 |
4.3 |
0.939 |
8 |
7 |
0 |
0.000 |
| 3 |
13 |
|
G |
21 |
6 |
18337 |
◊ |
J |
x-1,y,z |
1_455 |
21 |
7 |
18297 |
209.2 |
-1.3 |
0.548 |
2 |
0 |
0 |
0.000 |
| 4 |
14 |
|
A |
18 |
6 |
18463 |
◊ |
D |
x,y,z-1 |
1_554 |
24 |
6 |
18380 |
176.7 |
-2.2 |
0.428 |
0 |
0 |
0 |
0.000 |
| 5 |
15 |
|
H |
12 |
6 |
18291 |
x |
H |
x-1,y,z |
1_455 |
12 |
3 |
18291 |
129.6 |
1.8 |
0.741 |
0 |
0 |
0 |
0.000 |
| 6 |
16 |
|
B |
17 |
7 |
18346 |
◊ |
C |
x,y,z-1 |
1_554 |
10 |
3 |
18397 |
107.7 |
2.2 |
0.887 |
2 |
2 |
0 |
0.000 |
| 7 |
17 |
|
[MES]A:402 |
8 |
1 |
334 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
18346 |
103.6 |
2.9 |
0.185 |
0 |
0 |
0 |
0.000 |
| 8 |
18 |
|
[MES]D:401 |
8 |
1 |
338 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
18380 |
95.3 |
1.6 |
0.059 |
0 |
0 |
0 |
0.000 |
| 9 |
19 |
|
[MES]F:403 |
8 |
1 |
337 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
18337 |
94.7 |
1.2 |
0.033 |
0 |
0 |
0 |
0.000 |
| 10 |
20 |
|
[MES]G:401 |
7 |
1 |
329 |
◊ |
G |
x,y,z |
1_555 |
14 |
3 |
18337 |
92.7 |
1.8 |
0.099 |
0 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[MES]A:402 |
11 |
1 |
334 |
f |
A |
x,y,z |
1_555 |
13 |
2 |
18463 |
90.0 |
1.6 |
0.011 |
0 |
0 |
0 |
0.000 |
| 12 |
22 |
|
[MES]A:403 |
7 |
1 |
336 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
18463 |
84.0 |
1.0 |
0.059 |
0 |
0 |
0 |
0.000 |
| 13 |
23 |
|
[MES]H:401 |
8 |
1 |
335 |
◊ |
H |
x,y,z |
1_555 |
11 |
2 |
18291 |
83.7 |
1.1 |
0.031 |
0 |
0 |
0 |
0.000 |
| 14 |
24 |
|
[MES]B:401 |
8 |
1 |
328 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
18346 |
83.3 |
1.9 |
0.100 |
0 |
0 |
0 |
0.000 |
| 15 |
25 |
|
[MES]F:403 |
6 |
1 |
337 |
◊ |
F |
x,y,z |
1_555 |
12 |
2 |
18562 |
82.2 |
1.6 |
0.147 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[MES]C:401 |
9 |
1 |
329 |
f |
C |
x,y,z |
1_555 |
11 |
2 |
18397 |
80.1 |
0.9 |
0.017 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[MES]I:401 |
6 |
1 |
338 |
◊ |
I |
x,y,z |
1_555 |
12 |
2 |
18440 |
78.9 |
1.6 |
0.141 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[MES]H:401 |
7 |
1 |
335 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
18440 |
78.0 |
1.1 |
0.040 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[MES]A:403 |
8 |
1 |
336 |
◊ |
E |
x,y,z |
1_555 |
13 |
2 |
18378 |
77.7 |
1.3 |
0.070 |
0 |
0 |
0 |
0.000 |
| 20 |
30 |
|
[MES]J:401 |
7 |
1 |
335 |
◊ |
J |
x,y,z |
1_555 |
11 |
2 |
18297 |
69.8 |
1.0 |
0.043 |
0 |
0 |
0 |
0.000 |
| 21 |
31 |
|
[MES]B:401 |
4 |
1 |
328 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
18397 |
65.4 |
1.0 |
0.241 |
0 |
0 |
0 |
0.000 |
| 22 |
32 |
|
[MES]C:401 |
6 |
1 |
329 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
18380 |
63.9 |
1.1 |
0.053 |
0 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[MES]G:401 |
7 |
1 |
329 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
18291 |
60.9 |
0.9 |
0.026 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[MES]D:401 |
4 |
1 |
338 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
18378 |
60.6 |
0.7 |
0.123 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[MES]I:401 |
6 |
1 |
338 |
f |
J |
x,y,z |
1_555 |
8 |
4 |
18297 |
57.4 |
0.6 |
0.024 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
F |
9 |
3 |
18562 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
5 |
2 |
18378 |
57.4 |
0.1 |
0.709 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[4LE]F:402 |
5 |
1 |
266 |
f |
F |
x,y,z |
1_555 |
7 |
3 |
18562 |
56.5 |
-2.8 |
0.237 |
0 |
0 |
0 |
0.121 |
| 28 |
38 |
|
[4LE]F:402 |
7 |
1 |
266 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
18291 |
55.0 |
0.1 |
0.336 |
0 |
0 |
0 |
0.000 |
| 29 |
39 |
|
[4LE]E:401 |
5 |
1 |
267 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
18397 |
54.4 |
-0.5 |
0.365 |
1 |
0 |
0 |
0.005 |
| 30 |
40 |
|
[4LE]E:401 |
7 |
1 |
267 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
18378 |
54.3 |
-0.1 |
0.428 |
1 |
0 |
0 |
0.003 |
| 31 |
41 |
|
[4LE]A:401 |
7 |
1 |
265 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
18463 |
54.3 |
-0.2 |
0.311 |
0 |
0 |
0 |
0.000 |
| 32 |
42 |
|
[4LE]F:401 |
4 |
1 |
261 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
18291 |
53.3 |
-1.4 |
0.276 |
2 |
0 |
0 |
0.012 |
| 33 |
43 |
|
[4LE]E:401 |
4 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
18463 |
52.6 |
-2.5 |
0.315 |
1 |
0 |
0 |
0.688 |
| 34 |
44 |
|
[4LE]F:401 |
7 |
1 |
261 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
18297 |
52.5 |
0.1 |
0.363 |
1 |
0 |
0 |
0.002 |
| 35 |
45 |
|
[4LE]F:401 |
6 |
1 |
261 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
18562 |
52.4 |
-0.7 |
0.366 |
0 |
0 |
0 |
0.003 |
| 36 |
46 |
|
[4LE]F:402 |
5 |
1 |
266 |
◊ |
J |
x,y,z |
1_555 |
7 |
4 |
18297 |
51.9 |
-0.4 |
0.291 |
0 |
0 |
0 |
0.002 |
| 37 |
47 |
|
[4LE]F:401 |
5 |
1 |
261 |
◊ |
I |
x,y,z |
1_555 |
7 |
3 |
18440 |
51.3 |
0.2 |
0.518 |
2 |
0 |
0 |
0.003 |
| 38 |
48 |
|
[4LE]F:402 |
8 |
1 |
266 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
18337 |
51.1 |
-1.4 |
0.270 |
0 |
0 |
0 |
0.007 |
| 39 |
49 |
|
[4LE]A:401 |
7 |
1 |
265 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
18397 |
51.1 |
-1.1 |
0.314 |
0 |
0 |
0 |
0.006 |
| 40 |
50 |
|
[MES]J:401 |
4 |
1 |
335 |
f |
F |
x,y,z |
1_555 |
5 |
3 |
18562 |
50.8 |
0.5 |
0.076 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
[4LE]A:401 |
7 |
1 |
265 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
18380 |
50.6 |
-0.2 |
0.387 |
0 |
0 |
0 |
0.000 |
| 42 |
52 |
|
[4LE]E:401 |
5 |
1 |
267 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
18346 |
49.6 |
-2.9 |
0.302 |
0 |
0 |
0 |
0.015 |
| 43 |
53 |
|
[4LE]A:401 |
6 |
1 |
265 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
18346 |
49.4 |
-2.3 |
0.257 |
0 |
0 |
0 |
0.100 |
| 44 |
54 |
|
[4LE]E:401 |
6 |
1 |
267 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
18380 |
48.3 |
0.0 |
0.431 |
2 |
0 |
0 |
0.005 |
| 45 |
55 |
|
[4LE]A:401 |
5 |
1 |
265 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
18378 |
46.6 |
0.2 |
0.247 |
0 |
0 |
0 |
0.000 |
| 46 |
56 |
|
[4LE]F:401 |
6 |
1 |
261 |
f |
G |
x,y,z |
1_555 |
5 |
2 |
18337 |
44.0 |
-3.8 |
0.295 |
0 |
0 |
0 |
0.145 |
| 47 |
57 |
|
[4LE]F:402 |
4 |
1 |
266 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
18440 |
42.2 |
0.2 |
0.316 |
0 |
0 |
0 |
0.000 |
| 48 |
58 |
|
G |
6 |
2 |
18337 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
5 |
1 |
18378 |
36.7 |
0.8 |
0.823 |
0 |
0 |
0 |
0.000 |
59 |
|
J |
4 |
1 |
18297 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
18346 |
28.9 |
0.8 |
0.829 |
0 |
0 |
0 |
0.000 |
| Average: |
32.8 |
0.8 |
0.826 |
0 |
0 |
0 |
0.000 |
| 49 |
60 |
|
F |
4 |
1 |
18562 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
18378 |
28.0 |
0.6 |
0.876 |
1 |
0 |
0 |
0.000 |
| 50 |
61 |
|
H |
4 |
3 |
18291 |
◊ |
I |
x-1,y,z |
1_455 |
6 |
3 |
18440 |
22.5 |
-0.4 |
0.502 |
0 |
0 |
0 |
0.000 |
| 51 |
62 |
|
D |
4 |
2 |
18380 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
18346 |
22.5 |
-0.6 |
0.390 |
0 |
0 |
0 |
0.013 |
63 |
|
D |
6 |
3 |
18380 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
18463 |
20.6 |
-0.5 |
0.388 |
0 |
0 |
0 |
0.013 |
64 |
|
E |
6 |
3 |
18378 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
18346 |
20.5 |
-0.5 |
0.368 |
0 |
0 |
0 |
0.013 |
65 |
|
H |
3 |
2 |
18291 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
18562 |
20.0 |
-0.6 |
0.358 |
0 |
0 |
0 |
0.013 |
66 |
|
I |
3 |
2 |
18440 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
18337 |
18.3 |
-0.4 |
0.410 |
0 |
0 |
0 |
0.013 |
67 |
|
I |
5 |
2 |
18440 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
18562 |
18.3 |
-0.6 |
0.344 |
0 |
0 |
0 |
0.013 |
68 |
|
E |
3 |
2 |
18378 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
18397 |
16.8 |
-0.4 |
0.413 |
0 |
0 |
0 |
0.013 |
69 |
|
C |
3 |
2 |
18397 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
18463 |
15.0 |
-0.3 |
0.444 |
0 |
0 |
0 |
0.013 |
70 |
|
J |
3 |
2 |
18297 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
18291 |
14.6 |
-0.5 |
0.401 |
0 |
0 |
0 |
0.013 |
71 |
|
J |
3 |
1 |
18297 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
18337 |
6.1 |
-0.2 |
0.488 |
0 |
0 |
0 |
0.013 |
| Average: |
17.3 |
-0.5 |
0.400 |
0 |
0 |
0 |
0.013 |
| 52 |
72 |
|
F |
3 |
1 |
18562 |
◊ |
J |
x-1,y,z |
1_455 |
2 |
1 |
18297 |
7.7 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
| 53 |
73 |
|
I |
2 |
2 |
18440 |
x |
I |
x-1,y,z |
1_455 |
2 |
1 |
18440 |
5.9 |
-0.1 |
0.577 |
0 |
0 |
0 |
0.000 |
| 54 |
74 |
|
H |
1 |
1 |
18291 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
18380 |
1.4 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
|