| ## |
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 |
341 |
90 |
19893 |
◊ |
C |
x,y,z |
1_555 |
341 |
91 |
19794 |
3300.9 |
-29.2 |
0.021 |
49 |
8 |
0 |
0.101 |
2 |
|
B |
340 |
91 |
19713 |
◊ |
A |
x,y,z |
1_555 |
330 |
89 |
19754 |
3261.5 |
-29.2 |
0.021 |
47 |
8 |
0 |
0.101 |
| Average: |
3281.2 |
-29.2 |
0.021 |
48 |
8 |
0 |
0.101 |
| 2 |
3 |
|
C |
112 |
29 |
19794 |
◊ |
B |
x,y,z |
1_555 |
112 |
30 |
19713 |
1007.3 |
-6.5 |
0.250 |
6 |
14 |
0 |
0.022 |
4 |
|
D |
113 |
30 |
19893 |
◊ |
A |
x,y,z |
1_555 |
112 |
29 |
19754 |
980.6 |
-6.8 |
0.214 |
8 |
14 |
0 |
0.022 |
| Average: |
993.9 |
-6.7 |
0.232 |
7 |
14 |
0 |
0.022 |
| 3 |
5 |
|
D |
86 |
26 |
19893 |
◊ |
B |
x,y,z |
1_555 |
88 |
26 |
19713 |
748.9 |
-5.1 |
0.250 |
8 |
0 |
0 |
0.017 |
6 |
|
C |
86 |
26 |
19794 |
◊ |
A |
x,y,z |
1_555 |
90 |
26 |
19754 |
741.7 |
-5.5 |
0.225 |
8 |
0 |
0 |
0.017 |
| Average: |
745.3 |
-5.3 |
0.237 |
8 |
0 |
0 |
0.017 |
| 4 |
7 |
|
[NDP]C:1491 |
46 |
1 |
926 |
cf |
C |
x,y,z |
1_555 |
80 |
34 |
19794 |
580.9 |
-4.2 |
0.234 |
9 |
0 |
0 |
0.034 |
8 |
|
[NDP]A:1491 |
46 |
1 |
907 |
cf |
A |
x,y,z |
1_555 |
85 |
34 |
19754 |
573.6 |
-5.1 |
0.256 |
9 |
0 |
0 |
0.034 |
9 |
|
[NDP]D:1491 |
45 |
1 |
916 |
cf |
D |
x,y,z |
1_555 |
81 |
32 |
19893 |
569.9 |
-4.4 |
0.310 |
9 |
0 |
0 |
0.034 |
10 |
|
[NDP]B:1491 |
45 |
1 |
917 |
cf |
B |
x,y,z |
1_555 |
75 |
32 |
19713 |
564.0 |
-4.3 |
0.327 |
10 |
0 |
0 |
0.034 |
| Average: |
572.1 |
-4.5 |
0.281 |
9 |
0 |
0 |
0.034 |
| 5 |
11 |
|
B |
60 |
17 |
19713 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
60 |
17 |
19794 |
531.4 |
2.8 |
0.753 |
13 |
4 |
0 |
0.000 |
| 6 |
12 |
|
A |
41 |
12 |
19754 |
◊ |
D |
y,x-1,-z |
4_545 |
36 |
10 |
19893 |
342.8 |
3.8 |
0.897 |
6 |
10 |
0 |
0.000 |
| 7 |
13 |
|
[7PE]C:1501 |
15 |
1 |
439 |
f |
C |
x,y,z |
1_555 |
31 |
11 |
19794 |
240.5 |
-1.3 |
0.287 |
1 |
0 |
0 |
0.003 |
| 8 |
14 |
|
[7PE]A:1495 |
16 |
1 |
606 |
f |
A |
x,y,z |
1_555 |
31 |
10 |
19754 |
230.5 |
-0.9 |
0.231 |
0 |
0 |
0 |
0.002 |
| 9 |
15 |
|
[7PE]B:1499 |
16 |
1 |
474 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
19713 |
229.2 |
-2.6 |
0.278 |
2 |
0 |
0 |
0.007 |
| 10 |
16 |
|
C |
28 |
7 |
19794 |
◊ |
C |
x-y,-y,-z+1/3 |
5_555 |
28 |
7 |
19794 |
220.3 |
1.5 |
0.773 |
2 |
0 |
0 |
0.000 |
| 11 |
17 |
|
[7PE]A:1496 |
11 |
1 |
352 |
f |
A |
x,y,z |
1_555 |
43 |
16 |
19754 |
214.8 |
-2.4 |
0.412 |
0 |
0 |
0 |
0.005 |
| 12 |
18 |
|
B |
28 |
10 |
19713 |
◊ |
A |
-x+1,-x+y,-z-1/3 |
6_654 |
25 |
10 |
19754 |
212.9 |
1.0 |
0.728 |
2 |
2 |
0 |
0.000 |
| 13 |
19 |
|
[7PE]B:1500 |
8 |
1 |
291 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
19713 |
189.3 |
-4.5 |
0.539 |
1 |
0 |
0 |
0.010 |
| 14 |
20 |
|
[7PE]A:1495 |
9 |
1 |
606 |
◊ |
D |
x,y,z |
1_555 |
23 |
8 |
19893 |
161.5 |
3.7 |
0.452 |
0 |
0 |
0 |
0.000 |
| 15 |
21 |
|
[GOL]D:1494 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
22 |
7 |
19893 |
134.3 |
-0.0 |
0.620 |
2 |
0 |
0 |
0.002 |
| 16 |
22 |
|
[GOL]C:1495 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
19794 |
132.0 |
0.5 |
0.642 |
2 |
0 |
0 |
0.002 |
23 |
|
[GOL]D:1497 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
18 |
7 |
19893 |
130.1 |
-0.2 |
0.608 |
1 |
0 |
0 |
0.002 |
| Average: |
131.0 |
0.1 |
0.625 |
2 |
0 |
0 |
0.002 |
| 17 |
24 |
|
[GOL]C:1499 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
21 |
10 |
19794 |
130.2 |
-1.7 |
0.340 |
0 |
0 |
0 |
0.003 |
| 18 |
25 |
|
[GOL]D:1495 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
28 |
12 |
19893 |
130.0 |
-1.2 |
0.407 |
1 |
0 |
0 |
0.003 |
| 19 |
26 |
|
[GOL]B:1497 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
22 |
6 |
19713 |
126.9 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[GOL]B:1495 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
19713 |
124.7 |
-1.1 |
0.387 |
3 |
0 |
0 |
0.005 |
| 21 |
28 |
|
[K]D:1492 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
19893 |
120.8 |
-105.1 |
0.000 |
0 |
0 |
0 |
0.407 |
29 |
|
[K]A:1492 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
19754 |
119.7 |
-105.6 |
0.000 |
0 |
0 |
0 |
0.407 |
30 |
|
[K]C:1492 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
19794 |
119.0 |
-104.6 |
0.000 |
0 |
0 |
0 |
0.407 |
31 |
|
[K]B:1501 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
19713 |
118.8 |
-104.9 |
0.000 |
0 |
0 |
0 |
0.407 |
| Average: |
119.6 |
-105.0 |
0.000 |
0 |
0 |
0 |
0.407 |
| 22 |
32 |
|
[GOL]D:1496 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
29 |
14 |
19893 |
118.0 |
-1.1 |
0.364 |
2 |
0 |
0 |
0.004 |
| 23 |
33 |
|
[GOL]B:1498 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
5 |
19713 |
118.0 |
-0.5 |
0.487 |
1 |
0 |
0 |
0.002 |
| 24 |
34 |
|
[GOL]C:1496 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
19794 |
117.0 |
-1.2 |
0.421 |
2 |
0 |
0 |
0.004 |
| 25 |
35 |
|
[GOL]C:1497 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
27 |
14 |
19794 |
116.5 |
-0.9 |
0.427 |
2 |
0 |
0 |
0.004 |
| 26 |
36 |
|
[GOL]A:1494 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
19754 |
114.6 |
-0.6 |
0.418 |
3 |
0 |
0 |
0.004 |
| 27 |
37 |
|
[GOL]C:1498 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
19794 |
106.7 |
-0.3 |
0.541 |
2 |
0 |
0 |
0.002 |
| 28 |
38 |
|
[K]C:1493 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
19893 |
103.4 |
-57.3 |
0.000 |
0 |
0 |
0 |
0.221 |
39 |
|
[K]D:1493 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
19794 |
102.8 |
-56.4 |
0.000 |
0 |
0 |
0 |
0.221 |
40 |
|
[K]A:1493 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
19713 |
101.9 |
-56.2 |
0.000 |
0 |
0 |
0 |
0.221 |
41 |
|
[K]B:1493 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
19754 |
98.3 |
-53.3 |
0.000 |
0 |
0 |
0 |
0.221 |
| Average: |
101.6 |
-55.8 |
0.000 |
0 |
0 |
0 |
0.221 |
| 29 |
42 |
|
[BME]C:1600 |
4 |
1 |
207 |
cf |
C |
x,y,z |
1_555 |
10 |
6 |
19794 |
101.9 |
-1.5 |
0.339 |
2 |
0 |
0 |
0.005 |
| 30 |
43 |
|
[GOL]C:1500 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
19794 |
100.2 |
-1.0 |
0.440 |
1 |
0 |
0 |
0.003 |
| 31 |
44 |
|
[GOL]B:1490 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
19713 |
98.1 |
-0.7 |
0.478 |
1 |
0 |
0 |
0.002 |
| 32 |
45 |
|
[BME]A:1600 |
4 |
1 |
208 |
cf |
A |
x,y,z |
1_555 |
11 |
6 |
19754 |
95.7 |
-1.6 |
0.332 |
0 |
0 |
0 |
0.003 |
| 33 |
46 |
|
[GOL]B:1496 |
6 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
19713 |
88.8 |
0.4 |
0.619 |
1 |
0 |
0 |
0.000 |
| 34 |
47 |
|
[K]B:1493 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
19713 |
86.4 |
-54.8 |
0.000 |
0 |
0 |
0 |
0.206 |
48 |
|
[K]A:1493 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
19754 |
84.4 |
-51.9 |
0.000 |
0 |
0 |
0 |
0.206 |
49 |
|
[K]D:1493 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
19893 |
83.4 |
-51.6 |
0.000 |
0 |
0 |
0 |
0.206 |
50 |
|
[K]C:1493 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
19794 |
82.0 |
-50.8 |
0.000 |
0 |
0 |
0 |
0.206 |
| Average: |
84.0 |
-52.3 |
0.000 |
0 |
0 |
0 |
0.206 |
| 35 |
51 |
|
[7PE]C:1501 |
5 |
1 |
439 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
19893 |
68.3 |
1.0 |
0.619 |
0 |
0 |
0 |
0.000 |
| 36 |
52 |
|
[GOL]B:1496 |
5 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
19893 |
62.8 |
-0.4 |
0.469 |
0 |
0 |
0 |
0.000 |
| 37 |
53 |
|
[GOL]B:1490 |
5 |
1 |
214 |
f |
[NDP]B:1491 |
x,y,z |
1_555 |
7 |
1 |
917 |
58.9 |
0.5 |
0.598 |
1 |
0 |
0 |
0.000 |
| 38 |
54 |
|
[7PE]A:1495 |
2 |
1 |
606 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
19713 |
57.3 |
2.0 |
0.813 |
0 |
0 |
0 |
0.000 |
| 39 |
55 |
|
[7PE]A:1496 |
6 |
1 |
352 |
f |
[GOL]A:1494 |
x,y,z |
1_555 |
5 |
1 |
222 |
50.9 |
-1.2 |
0.382 |
0 |
0 |
0 |
0.002 |
| 40 |
56 |
|
[GOL]C:1497 |
5 |
1 |
220 |
f |
[NDP]C:1491 |
x,y,z |
1_555 |
6 |
1 |
926 |
50.6 |
-0.1 |
0.473 |
0 |
0 |
0 |
0.000 |
| 41 |
57 |
|
[7PE]A:1496 |
4 |
1 |
352 |
f |
[NDP]A:1491 |
x,y,z |
1_555 |
4 |
1 |
907 |
49.6 |
-0.5 |
0.563 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
[GOL]D:1496 |
4 |
1 |
220 |
f |
[NDP]D:1491 |
x,y,z |
1_555 |
4 |
1 |
916 |
42.8 |
0.1 |
0.547 |
1 |
0 |
0 |
0.000 |
| 43 |
59 |
|
[GOL]D:1496 |
4 |
1 |
220 |
f |
[GOL]D:1495 |
x,y,z |
1_555 |
4 |
1 |
219 |
42.6 |
0.1 |
0.577 |
2 |
0 |
0 |
0.002 |
| 44 |
60 |
|
[GOL]B:1495 |
4 |
1 |
220 |
f |
[NDP]B:1491 |
x,y,z |
1_555 |
4 |
1 |
917 |
38.6 |
0.1 |
0.545 |
2 |
0 |
0 |
0.002 |
| 45 |
61 |
|
[GOL]C:1497 |
3 |
1 |
220 |
f |
[GOL]C:1496 |
x,y,z |
1_555 |
4 |
1 |
218 |
33.8 |
0.2 |
0.561 |
2 |
0 |
0 |
0.001 |
| 46 |
62 |
|
[GOL]B:1490 |
3 |
1 |
214 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
9 |
3 |
19794 |
31.3 |
-0.1 |
0.535 |
0 |
0 |
0 |
0.000 |
| 47 |
63 |
|
[7PE]C:1501 |
4 |
1 |
439 |
f |
[GOL]C:1499 |
x,y,z |
1_555 |
2 |
1 |
218 |
31.1 |
-0.4 |
0.456 |
1 |
0 |
0 |
0.002 |
| 48 |
64 |
|
[7PE]B:1500 |
2 |
1 |
291 |
f |
[GOL]B:1495 |
x,y,z |
1_555 |
3 |
1 |
220 |
29.4 |
-0.4 |
0.628 |
0 |
0 |
0 |
0.000 |
| 49 |
65 |
|
[GOL]D:1497 |
2 |
1 |
218 |
f |
[GOL]D:1494 |
x,y,z |
1_555 |
2 |
1 |
217 |
28.6 |
0.2 |
0.692 |
1 |
0 |
0 |
0.000 |
| 50 |
66 |
|
[GOL]A:1494 |
4 |
1 |
222 |
f |
[NDP]A:1491 |
x,y,z |
1_555 |
4 |
1 |
907 |
27.1 |
-0.4 |
0.417 |
0 |
0 |
0 |
0.000 |
| 51 |
67 |
|
[GOL]C:1499 |
2 |
1 |
218 |
f |
[GOL]C:1496 |
x,y,z |
1_555 |
2 |
1 |
218 |
23.8 |
0.1 |
0.636 |
1 |
0 |
0 |
0.000 |
| 52 |
68 |
|
[GOL]D:1495 |
2 |
1 |
219 |
f |
[NDP]D:1491 |
x,y,z |
1_555 |
2 |
1 |
916 |
23.4 |
-0.1 |
0.441 |
0 |
0 |
0 |
0.000 |
| 53 |
69 |
|
[GOL]B:1498 |
2 |
1 |
219 |
f |
[GOL]B:1497 |
x,y,z |
1_555 |
1 |
1 |
217 |
19.6 |
0.4 |
0.612 |
1 |
0 |
0 |
0.000 |
| 54 |
70 |
|
[GOL]C:1496 |
3 |
1 |
218 |
f |
[NDP]C:1491 |
x,y,z |
1_555 |
5 |
1 |
926 |
17.4 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.000 |
| 55 |
71 |
|
[7PE]C:1501 |
3 |
1 |
439 |
f |
[GOL]C:1496 |
x,y,z |
1_555 |
3 |
1 |
218 |
12.1 |
0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
| 56 |
72 |
|
[NDP]B:1491 |
1 |
1 |
917 |
◊ |
C |
-y,x-y-1,z-1/3 |
2_544 |
1 |
1 |
19794 |
7.1 |
0.2 |
0.717 |
0 |
0 |
0 |
0.000 |
| 57 |
73 |
|
[7PE]B:1500 |
1 |
1 |
291 |
f |
[NDP]B:1491 |
x,y,z |
1_555 |
1 |
1 |
917 |
4.8 |
-0.0 |
0.585 |
0 |
0 |
0 |
0.000 |
|