| ## |
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 |
187 |
53 |
16767 |
◊ |
C |
x,y,z |
1_555 |
176 |
45 |
6715 |
1677.8 |
-13.9 |
0.283 |
26 |
14 |
0 |
1.000 |
2 |
|
F |
178 |
51 |
16756 |
◊ |
E |
x,y,z |
1_555 |
171 |
41 |
6534 |
1617.2 |
-13.1 |
0.338 |
25 |
14 |
0 |
1.000 |
| Average: |
1647.5 |
-13.5 |
0.311 |
26 |
14 |
0 |
1.000 |
| 2 |
3 |
|
D |
129 |
37 |
16767 |
◊ |
E |
x,y,z |
1_555 |
134 |
43 |
6534 |
1283.3 |
-8.4 |
0.148 |
24 |
4 |
0 |
1.000 |
4 |
|
F |
132 |
37 |
16756 |
◊ |
C |
x,y,z |
1_555 |
134 |
43 |
6715 |
1248.4 |
-8.7 |
0.139 |
21 |
4 |
0 |
1.000 |
| Average: |
1265.8 |
-8.5 |
0.144 |
23 |
4 |
0 |
1.000 |
| 3 |
5 |
|
C |
93 |
29 |
6715 |
◊ |
A |
x,y,z |
1_555 |
83 |
27 |
15910 |
827.5 |
-6.3 |
0.401 |
12 |
3 |
0 |
0.093 |
6 |
|
E |
82 |
23 |
6534 |
◊ |
B |
x,y,z |
1_555 |
78 |
27 |
15931 |
817.1 |
-8.8 |
0.227 |
10 |
4 |
0 |
0.093 |
| Average: |
822.3 |
-7.5 |
0.314 |
11 |
4 |
0 |
0.093 |
| 4 |
7 |
|
F |
73 |
22 |
16756 |
◊ |
D |
x,y,z |
1_555 |
74 |
21 |
16767 |
659.5 |
-3.1 |
0.511 |
6 |
14 |
0 |
0.086 |
| 5 |
8 |
|
[HEC]A:402 |
43 |
1 |
853 |
cf |
A |
x,y,z |
1_555 |
77 |
33 |
15910 |
615.1 |
-20.6 |
0.481 |
8 |
0 |
0 |
0.193 |
9 |
|
[HEC]B:402 |
43 |
1 |
846 |
cf |
B |
x,y,z |
1_555 |
80 |
33 |
15931 |
613.1 |
-20.5 |
0.499 |
6 |
0 |
0 |
0.193 |
| Average: |
614.1 |
-20.6 |
0.490 |
7 |
0 |
0 |
0.193 |
| 6 |
10 |
|
[HEC]B:403 |
43 |
1 |
837 |
cf |
B |
x,y,z |
1_555 |
84 |
33 |
15931 |
600.4 |
-23.9 |
0.210 |
3 |
0 |
0 |
0.206 |
11 |
|
[HEC]A:403 |
43 |
1 |
836 |
cf |
A |
x,y,z |
1_555 |
79 |
33 |
15910 |
598.5 |
-23.9 |
0.199 |
3 |
0 |
0 |
0.206 |
| Average: |
599.5 |
-23.9 |
0.204 |
3 |
0 |
0 |
0.206 |
| 7 |
12 |
|
F |
40 |
14 |
16756 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
15931 |
389.2 |
-0.2 |
0.611 |
4 |
2 |
0 |
0.018 |
13 |
|
D |
36 |
12 |
16767 |
◊ |
A |
x,y,z |
1_555 |
37 |
11 |
15910 |
348.3 |
0.3 |
0.718 |
5 |
5 |
0 |
0.018 |
| Average: |
368.8 |
0.1 |
0.665 |
5 |
4 |
0 |
0.018 |
| 8 |
14 |
|
A |
39 |
14 |
15910 |
◊ |
B |
x,y,z-1 |
1_554 |
39 |
13 |
15931 |
316.3 |
0.3 |
0.714 |
2 |
7 |
0 |
0.000 |
| 9 |
15 |
|
A |
32 |
12 |
15910 |
◊ |
F |
x,y-1,z-1 |
1_544 |
37 |
13 |
16756 |
299.8 |
-0.2 |
0.653 |
2 |
2 |
0 |
0.000 |
| 10 |
16 |
|
F |
27 |
7 |
16756 |
◊ |
A |
x,y,z |
1_555 |
33 |
7 |
15910 |
267.8 |
0.5 |
0.688 |
4 |
1 |
0 |
0.014 |
17 |
|
D |
27 |
7 |
16767 |
◊ |
B |
x,y,z |
1_555 |
30 |
8 |
15931 |
263.9 |
0.0 |
0.655 |
5 |
1 |
0 |
0.014 |
| Average: |
265.8 |
0.2 |
0.672 |
5 |
1 |
0 |
0.014 |
| 11 |
18 |
|
E |
37 |
12 |
6534 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
9 |
15931 |
266.1 |
-3.1 |
0.308 |
4 |
0 |
0 |
0.029 |
| 12 |
19 |
|
F |
22 |
7 |
16756 |
x |
F |
x-1,y,z |
1_455 |
20 |
5 |
16756 |
222.9 |
0.1 |
0.517 |
6 |
1 |
0 |
0.000 |
| 13 |
20 |
|
C |
19 |
8 |
6715 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
9 |
15910 |
174.1 |
1.2 |
0.803 |
3 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[PGE]F:402 |
9 |
1 |
330 |
f |
F |
x,y,z |
1_555 |
21 |
11 |
16756 |
148.2 |
2.4 |
0.170 |
4 |
0 |
0 |
0.000 |
| 15 |
22 |
|
A |
17 |
6 |
15910 |
◊ |
B |
x,y-1,z-1 |
1_544 |
16 |
6 |
15931 |
125.6 |
-0.5 |
0.473 |
0 |
0 |
0 |
0.000 |
| 16 |
23 |
|
F |
10 |
5 |
16756 |
◊ |
B |
x,y,z-1 |
1_554 |
9 |
4 |
15931 |
114.5 |
-0.6 |
0.371 |
2 |
2 |
0 |
0.012 |
24 |
|
A |
8 |
3 |
15910 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
4 |
16767 |
108.4 |
-0.7 |
0.403 |
1 |
0 |
0 |
0.012 |
| Average: |
111.4 |
-0.7 |
0.387 |
2 |
1 |
0 |
0.012 |
| 17 |
25 |
|
[EDO]B:406 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15931 |
113.1 |
4.0 |
0.552 |
2 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[EDO]B:405 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
15931 |
109.9 |
4.0 |
0.677 |
3 |
0 |
0 |
0.000 |
| 19 |
27 |
|
[MES]D:401 |
8 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
16767 |
106.3 |
2.3 |
0.190 |
0 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[MES]F:401 |
10 |
1 |
334 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
16756 |
100.1 |
2.0 |
0.035 |
0 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[EDO]D:402 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
16767 |
100.1 |
4.1 |
0.684 |
1 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[EDO]B:404 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
15931 |
83.3 |
2.2 |
0.276 |
1 |
0 |
0 |
0.000 |
| 23 |
31 |
|
D |
9 |
3 |
16767 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
3 |
15910 |
80.4 |
-0.1 |
0.606 |
1 |
0 |
0 |
0.000 |
| 24 |
32 |
|
D |
10 |
4 |
16767 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
3 |
15931 |
74.5 |
-1.5 |
0.296 |
0 |
0 |
0 |
0.009 |
| 25 |
33 |
|
A |
11 |
5 |
15910 |
◊ |
[MES]D:401 |
x,y,z-1 |
1_554 |
5 |
1 |
336 |
71.5 |
2.6 |
0.505 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[MES]F:401 |
4 |
1 |
334 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
5 |
15931 |
70.2 |
2.5 |
0.549 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
E |
12 |
6 |
6534 |
◊ |
[EDO]B:404 |
x-1,y,z |
1_455 |
4 |
1 |
186 |
69.8 |
1.9 |
0.259 |
0 |
0 |
0 |
0.000 |
| 28 |
36 |
|
[NA]A:404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
15910 |
65.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.085 |
37 |
|
[NA]B:408 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15931 |
64.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.085 |
| Average: |
64.8 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.085 |
| 29 |
38 |
|
D |
7 |
4 |
16767 |
x |
D |
x-1,y,z |
1_455 |
12 |
6 |
16767 |
61.5 |
-0.9 |
0.408 |
0 |
0 |
0 |
0.000 |
| 30 |
39 |
|
[NA]B:407 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
15931 |
61.2 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.066 |
40 |
|
[NA]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15910 |
59.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.066 |
| Average: |
60.4 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.066 |
| 31 |
41 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
15931 |
45.3 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.091 |
42 |
|
[CA]A:401 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
15910 |
44.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.091 |
| Average: |
44.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.091 |
| 32 |
43 |
|
A |
5 |
2 |
15910 |
x |
A |
x-1,y,z |
1_455 |
3 |
2 |
15910 |
35.9 |
-0.4 |
0.353 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
D |
3 |
1 |
16767 |
◊ |
[PGE]F:402 |
x-1,y-1,z |
1_445 |
2 |
1 |
330 |
31.3 |
1.3 |
0.524 |
0 |
0 |
0 |
0.000 |
| 34 |
45 |
|
A |
2 |
1 |
15910 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
4 |
1 |
15931 |
25.1 |
-0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
| 35 |
46 |
|
D |
2 |
1 |
16767 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
2 |
2 |
15931 |
11.1 |
-0.0 |
0.502 |
0 |
0 |
0 |
0.000 |
| 36 |
47 |
|
[HEC]B:403 |
3 |
1 |
837 |
f |
[CA]B:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.015 |
48 |
|
[HEC]A:403 |
3 |
1 |
836 |
f |
[CA]A:401 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
9.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.015 |
| 37 |
49 |
|
E |
3 |
2 |
6534 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
16756 |
7.0 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
| 38 |
50 |
|
D |
1 |
1 |
16767 |
◊ |
F |
x,y-1,z |
1_545 |
1 |
1 |
16756 |
4.3 |
0.1 |
0.783 |
0 |
0 |
0 |
0.000 |
| 39 |
51 |
|
[MES]F:401 |
1 |
1 |
334 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
6715 |
4.0 |
0.1 |
0.334 |
0 |
0 |
0 |
0.000 |
| 40 |
52 |
|
[MES]D:401 |
1 |
1 |
336 |
f |
E |
x,y,z |
1_555 |
2 |
1 |
6534 |
3.8 |
0.1 |
0.334 |
0 |
0 |
0 |
0.000 |
| 41 |
53 |
|
[EDO]B:405 |
1 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
16767 |
2.2 |
0.1 |
0.864 |
0 |
0 |
0 |
0.000 |
| 42 |
54 |
|
D |
1 |
1 |
16767 |
◊ |
F |
x-1,y-1,z |
1_445 |
1 |
1 |
16756 |
2.1 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
|