## |
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 |
|
B |
479 |
118 |
24141 |
◊ |
A |
x,y,z |
1_555 |
460 |
127 |
19622 |
4397.2 |
-54.2 |
0.013 |
55 |
19 |
0 |
0.000 |
2 |
|
D |
476 |
117 |
24089 |
◊ |
C |
x,y,z |
1_555 |
460 |
129 |
19432 |
4372.6 |
-54.4 |
0.012 |
56 |
19 |
0 |
0.000 |
Average: |
4384.9 |
-54.3 |
0.013 |
56 |
19 |
0 |
0.000 |
2 |
3 |
|
D |
304 |
76 |
24089 |
◊ |
B |
x,y,z |
1_555 |
306 |
76 |
24141 |
2847.7 |
-20.6 |
0.381 |
46 |
25 |
0 |
0.905 |
3 |
4 |
|
B |
137 |
36 |
24141 |
◊ |
C |
x,y,z |
1_555 |
147 |
38 |
19432 |
1262.8 |
-17.7 |
0.101 |
14 |
6 |
0 |
0.000 |
5 |
|
D |
142 |
36 |
24089 |
◊ |
A |
x,y,z |
1_555 |
146 |
37 |
19622 |
1248.8 |
-16.6 |
0.142 |
14 |
6 |
0 |
0.000 |
Average: |
1255.8 |
-17.1 |
0.121 |
14 |
6 |
0 |
0.000 |
4 |
6 |
|
D |
35 |
8 |
24089 |
◊ |
A |
x,y,z-1 |
1_554 |
37 |
10 |
19622 |
324.5 |
-1.7 |
0.517 |
2 |
4 |
0 |
0.000 |
7 |
|
C |
38 |
11 |
19432 |
◊ |
B |
x,y,z-1 |
1_554 |
30 |
8 |
24141 |
292.7 |
-1.0 |
0.580 |
3 |
4 |
0 |
0.000 |
Average: |
308.6 |
-1.3 |
0.549 |
3 |
4 |
0 |
0.000 |
5 |
8 |
|
C |
39 |
14 |
19432 |
◊ |
A |
x,y,z-1 |
1_554 |
39 |
14 |
19622 |
310.0 |
6.7 |
0.983 |
3 |
2 |
0 |
0.000 |
6 |
9 |
|
[ICE]A:502 |
16 |
1 |
469 |
f |
A |
x,y,z |
1_555 |
47 |
17 |
19622 |
281.5 |
-17.1 |
0.795 |
5 |
0 |
0 |
0.047 |
10 |
|
[ICE]C:502 |
16 |
1 |
469 |
f |
C |
x,y,z |
1_555 |
47 |
17 |
19432 |
281.3 |
-18.2 |
0.750 |
5 |
0 |
0 |
0.047 |
Average: |
281.4 |
-17.7 |
0.773 |
5 |
0 |
0 |
0.047 |
7 |
11 |
|
[HCA]A:501 |
13 |
1 |
344 |
f |
A |
x,y,z |
1_555 |
38 |
18 |
19622 |
198.0 |
1.8 |
0.504 |
4 |
0 |
0 |
0.003 |
12 |
|
[HCA]C:501 |
13 |
1 |
345 |
f |
C |
x,y,z |
1_555 |
36 |
17 |
19432 |
197.8 |
0.8 |
0.475 |
5 |
0 |
0 |
0.003 |
Average: |
197.9 |
1.3 |
0.489 |
5 |
0 |
0 |
0.003 |
8 |
13 |
|
[CLF]A:507 |
12 |
1 |
454 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19622 |
181.7 |
-18.3 |
0.082 |
0 |
0 |
0 |
0.044 |
14 |
|
[CLF]C:507 |
12 |
1 |
452 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19432 |
181.1 |
-18.3 |
0.081 |
0 |
0 |
0 |
0.044 |
Average: |
181.4 |
-18.3 |
0.082 |
0 |
0 |
0 |
0.044 |
9 |
15 |
|
[CLF]A:507 |
12 |
1 |
454 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
24141 |
180.5 |
-17.6 |
0.091 |
0 |
0 |
0 |
0.000 |
16 |
|
[CLF]C:507 |
12 |
1 |
452 |
◊ |
D |
x,y,z |
1_555 |
25 |
12 |
24089 |
179.1 |
-17.5 |
0.088 |
0 |
0 |
0 |
0.000 |
Average: |
179.8 |
-17.6 |
0.090 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
A |
20 |
7 |
19622 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
5 |
19622 |
175.8 |
-1.2 |
0.429 |
0 |
0 |
0 |
0.000 |
18 |
|
C |
20 |
5 |
19432 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
21 |
6 |
19432 |
169.8 |
-1.3 |
0.480 |
1 |
0 |
0 |
0.000 |
Average: |
172.8 |
-1.2 |
0.454 |
1 |
0 |
0 |
0.000 |
11 |
19 |
|
D |
18 |
10 |
24089 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
33 |
17 |
19432 |
163.6 |
-0.4 |
0.658 |
1 |
1 |
0 |
0.000 |
20 |
|
A |
31 |
16 |
19622 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
18 |
10 |
24141 |
163.5 |
-0.0 |
0.694 |
1 |
1 |
0 |
0.000 |
Average: |
163.5 |
-0.2 |
0.676 |
1 |
1 |
0 |
0.000 |
12 |
21 |
|
[IMD]D:601 |
5 |
1 |
196 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
24089 |
128.1 |
4.4 |
0.576 |
2 |
0 |
0 |
0.000 |
13 |
22 |
|
[IMD]B:602 |
5 |
1 |
197 |
f |
B |
x,y,z |
1_555 |
22 |
10 |
24141 |
127.9 |
4.3 |
0.435 |
0 |
0 |
0 |
0.000 |
14 |
23 |
|
C |
15 |
5 |
19432 |
◊ |
B |
x-1,y,z-1 |
1_454 |
12 |
3 |
24141 |
118.2 |
0.0 |
0.679 |
2 |
2 |
0 |
0.000 |
15 |
24 |
|
[IMD]B:601 |
5 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
24141 |
106.4 |
4.3 |
0.476 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
[IMD]D:602 |
5 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
24089 |
105.9 |
3.7 |
0.371 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
[IMD]C:503 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
19432 |
87.9 |
2.8 |
0.245 |
1 |
0 |
0 |
0.000 |
18 |
27 |
|
[IMD]A:503 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
19622 |
87.1 |
2.7 |
0.252 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
C |
13 |
3 |
19432 |
◊ |
[IMD]B:603 |
x,y,z-1 |
1_554 |
5 |
1 |
198 |
73.1 |
2.4 |
0.291 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
[IMD]D:603 |
5 |
1 |
198 |
◊ |
A |
x,y,z-1 |
1_554 |
11 |
3 |
19622 |
71.8 |
2.2 |
0.245 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[CMO]B:604 |
2 |
1 |
138 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
24141 |
69.2 |
-0.5 |
0.756 |
0 |
0 |
0 |
0.009 |
22 |
31 |
|
[CMO]D:604 |
2 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24089 |
68.4 |
-0.5 |
0.763 |
0 |
0 |
0 |
0.010 |
23 |
32 |
|
[IMD]B:603 |
5 |
1 |
198 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
19622 |
63.0 |
1.6 |
0.197 |
0 |
0 |
0 |
0.000 |
24 |
33 |
|
[IMD]D:603 |
5 |
1 |
198 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
19432 |
62.8 |
1.5 |
0.186 |
0 |
0 |
0 |
0.000 |
25 |
34 |
|
[ICE]A:502 |
6 |
1 |
469 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
7 |
1 |
344 |
62.0 |
-1.9 |
0.665 |
0 |
0 |
0 |
0.007 |
35 |
|
[ICE]C:502 |
6 |
1 |
469 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
7 |
1 |
345 |
61.6 |
-3.4 |
0.425 |
0 |
0 |
0 |
0.007 |
Average: |
61.8 |
-2.7 |
0.545 |
0 |
0 |
0 |
0.007 |
26 |
36 |
|
[IMD]D:603 |
3 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
24089 |
52.8 |
1.2 |
0.341 |
0 |
0 |
0 |
0.000 |
27 |
37 |
|
[IMD]B:603 |
3 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
24141 |
52.6 |
0.9 |
0.264 |
0 |
0 |
0 |
0.000 |
28 |
38 |
|
[ICE]C:506 |
1 |
1 |
133 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
19432 |
48.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
|
[ICE]A:506 |
1 |
1 |
133 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
19622 |
48.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
48.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
[CMO]C:504 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
19432 |
47.6 |
-2.2 |
0.157 |
1 |
0 |
0 |
0.006 |
30 |
41 |
|
[ICE]C:506 |
1 |
1 |
133 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
24089 |
47.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[ICE]A:506 |
1 |
1 |
133 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
24141 |
46.5 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
46.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[CMO]A:504 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
19622 |
46.9 |
-1.1 |
0.375 |
1 |
0 |
0 |
0.004 |
32 |
44 |
|
[FE2]B:606 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
24141 |
46.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.222 |
45 |
|
[FE2]B:605 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
24089 |
46.4 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.222 |
Average: |
46.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.222 |
33 |
46 |
|
[CMO]A:505 |
2 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
19622 |
44.9 |
-0.6 |
0.649 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[CMO]C:505 |
2 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
19432 |
44.6 |
-0.6 |
0.661 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[HCA]C:501 |
7 |
1 |
345 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24089 |
43.7 |
1.2 |
0.568 |
0 |
0 |
0 |
0.000 |
49 |
|
[HCA]A:501 |
7 |
1 |
344 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
24141 |
42.1 |
0.9 |
0.475 |
0 |
0 |
0 |
0.000 |
Average: |
42.9 |
1.1 |
0.522 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[CMO]C:504 |
2 |
1 |
137 |
cf |
[ICE]C:502 |
x,y,z |
1_555 |
6 |
1 |
469 |
42.5 |
-3.2 |
0.499 |
0 |
0 |
0 |
0.007 |
37 |
51 |
|
[CMO]A:504 |
2 |
1 |
137 |
cf |
[ICE]A:502 |
x,y,z |
1_555 |
6 |
1 |
469 |
42.2 |
-3.1 |
0.500 |
0 |
0 |
0 |
0.008 |
38 |
52 |
|
[FE2]B:605 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
24141 |
39.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.186 |
53 |
|
[FE2]B:606 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
24089 |
39.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.186 |
Average: |
39.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.186 |
39 |
54 |
|
[CMO]A:505 |
2 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
24141 |
33.4 |
-0.6 |
0.675 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
[CMO]C:505 |
2 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
24089 |
33.3 |
-0.3 |
0.752 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[FE2]B:605 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
19432 |
31.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
|
[FE2]B:606 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
19622 |
31.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
58 |
|
[CMO]A:505 |
2 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
24089 |
30.1 |
0.0 |
0.753 |
0 |
0 |
0 |
0.000 |
43 |
59 |
|
[CMO]C:505 |
2 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
24141 |
29.4 |
0.1 |
0.753 |
0 |
0 |
0 |
0.000 |
44 |
60 |
|
A |
4 |
2 |
19622 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
3 |
24141 |
23.4 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
45 |
61 |
|
B |
4 |
3 |
24141 |
◊ |
D |
x-1,y,z |
1_455 |
4 |
2 |
24089 |
21.2 |
0.1 |
0.664 |
0 |
0 |
0 |
0.000 |
46 |
62 |
|
[CMO]A:505 |
1 |
1 |
137 |
f |
[ICE]A:506 |
x,y,z |
1_555 |
1 |
1 |
133 |
16.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.100 |
63 |
|
[CMO]C:505 |
1 |
1 |
137 |
f |
[ICE]C:506 |
x,y,z |
1_555 |
1 |
1 |
133 |
16.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
16.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.100 |
47 |
64 |
|
[CMO]C:504 |
2 |
1 |
137 |
f |
[HCA]C:501 |
x,y,z |
1_555 |
4 |
1 |
345 |
11.5 |
0.1 |
0.521 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
[CMO]A:504 |
2 |
1 |
137 |
f |
[HCA]A:501 |
x,y,z |
1_555 |
4 |
1 |
344 |
11.2 |
0.1 |
0.512 |
0 |
0 |
0 |
0.000 |
49 |
66 |
|
A |
3 |
2 |
19622 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
24089 |
10.7 |
0.3 |
0.748 |
0 |
0 |
0 |
0.000 |
50 |
67 |
|
[CMO]B:604 |
2 |
1 |
138 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
24089 |
9.4 |
0.0 |
0.762 |
0 |
0 |
0 |
0.000 |
51 |
68 |
|
[CMO]D:604 |
2 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
24141 |
8.9 |
0.0 |
0.754 |
0 |
0 |
0 |
0.000 |
|