| ## |
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 |
100 |
25 |
8853 |
◊ |
G |
x,y,z |
1_555 |
100 |
26 |
8858 |
931.8 |
-9.9 |
0.197 |
12 |
14 |
0 |
0.272 |
2 |
|
J |
98 |
25 |
8865 |
◊ |
I |
x,y,z |
1_555 |
100 |
25 |
8862 |
930.4 |
-9.8 |
0.198 |
12 |
14 |
0 |
0.272 |
3 |
|
L |
100 |
25 |
8857 |
◊ |
K |
x,y,z |
1_555 |
101 |
25 |
8860 |
930.3 |
-9.7 |
0.204 |
12 |
14 |
0 |
0.272 |
4 |
|
B |
101 |
25 |
8861 |
◊ |
A |
x,y,z |
1_555 |
99 |
25 |
8857 |
929.4 |
-9.7 |
0.204 |
12 |
14 |
0 |
0.272 |
5 |
|
D |
99 |
25 |
8869 |
◊ |
C |
x,y,z |
1_555 |
100 |
26 |
8848 |
928.8 |
-9.8 |
0.197 |
12 |
14 |
0 |
0.272 |
6 |
|
F |
99 |
25 |
8869 |
◊ |
E |
x,y,z |
1_555 |
99 |
25 |
8859 |
928.5 |
-9.8 |
0.200 |
12 |
14 |
0 |
0.272 |
| Average: |
929.9 |
-9.8 |
0.200 |
12 |
14 |
0 |
0.272 |
| 2 |
7 |
|
L |
58 |
18 |
8857 |
◊ |
A |
x,y,z |
1_555 |
60 |
14 |
8857 |
560.8 |
-0.4 |
0.669 |
9 |
2 |
0 |
0.100 |
8 |
|
J |
54 |
13 |
8865 |
◊ |
E |
y,x,-z |
7_555 |
58 |
18 |
8859 |
543.5 |
-0.2 |
0.680 |
9 |
2 |
0 |
0.100 |
9 |
|
K |
56 |
17 |
8860 |
◊ |
G |
y,x,-z |
7_555 |
52 |
13 |
8858 |
532.6 |
-0.1 |
0.672 |
7 |
1 |
0 |
0.100 |
10 |
|
H |
55 |
17 |
8853 |
◊ |
B |
x,y,z |
1_555 |
51 |
13 |
8861 |
526.2 |
-0.3 |
0.656 |
8 |
2 |
0 |
0.100 |
11 |
|
D |
52 |
13 |
8869 |
◊ |
B |
x,y,z |
1_555 |
52 |
17 |
8861 |
524.5 |
-0.2 |
0.659 |
9 |
2 |
0 |
0.100 |
12 |
|
K |
51 |
13 |
8860 |
◊ |
C |
x,y,z |
1_555 |
56 |
17 |
8848 |
523.0 |
-0.2 |
0.659 |
10 |
2 |
0 |
0.100 |
13 |
|
I |
52 |
13 |
8862 |
◊ |
G |
x,y,z |
1_555 |
55 |
17 |
8858 |
522.6 |
-0.3 |
0.662 |
9 |
2 |
0 |
0.100 |
14 |
|
L |
51 |
13 |
8857 |
◊ |
A |
y,x,-z |
7_555 |
54 |
17 |
8857 |
522.4 |
-0.4 |
0.657 |
9 |
2 |
0 |
0.100 |
15 |
|
H |
53 |
14 |
8853 |
◊ |
F |
x,y,z |
1_555 |
57 |
17 |
8869 |
521.7 |
-0.5 |
0.649 |
8 |
2 |
0 |
0.100 |
16 |
|
F |
53 |
13 |
8869 |
◊ |
D |
x,y,z |
1_555 |
57 |
17 |
8869 |
520.7 |
-0.4 |
0.660 |
9 |
2 |
0 |
0.100 |
17 |
|
J |
55 |
16 |
8865 |
◊ |
E |
x,y,z |
1_555 |
51 |
12 |
8859 |
514.4 |
-0.2 |
0.659 |
9 |
2 |
0 |
0.100 |
18 |
|
I |
57 |
17 |
8862 |
◊ |
C |
y,x,-z |
7_555 |
51 |
12 |
8848 |
514.0 |
-0.4 |
0.653 |
9 |
2 |
0 |
0.100 |
| Average: |
527.2 |
-0.3 |
0.661 |
9 |
2 |
0 |
0.100 |
| 3 |
19 |
|
L |
57 |
14 |
8857 |
◊ |
C |
x,y,z |
1_555 |
54 |
15 |
8848 |
533.2 |
-4.1 |
0.234 |
6 |
11 |
0 |
0.364 |
20 |
|
J |
55 |
15 |
8865 |
◊ |
F |
x,y,z |
1_555 |
59 |
14 |
8869 |
530.6 |
-4.1 |
0.248 |
8 |
10 |
0 |
0.364 |
21 |
|
I |
55 |
15 |
8862 |
◊ |
D |
y,x,-z |
7_555 |
59 |
14 |
8869 |
528.4 |
-4.0 |
0.259 |
8 |
10 |
0 |
0.364 |
22 |
|
E |
57 |
14 |
8859 |
◊ |
D |
x,y,z |
1_555 |
55 |
15 |
8869 |
527.4 |
-4.1 |
0.235 |
9 |
10 |
0 |
0.364 |
23 |
|
L |
54 |
15 |
8857 |
◊ |
B |
x,y,z |
1_555 |
57 |
14 |
8861 |
525.2 |
-4.1 |
0.237 |
8 |
11 |
0 |
0.364 |
24 |
|
G |
55 |
14 |
8858 |
◊ |
F |
x,y,z |
1_555 |
55 |
15 |
8869 |
519.7 |
-4.0 |
0.236 |
9 |
10 |
0 |
0.364 |
25 |
|
C |
55 |
14 |
8848 |
◊ |
B |
x,y,z |
1_555 |
52 |
14 |
8861 |
518.9 |
-4.0 |
0.228 |
8 |
10 |
0 |
0.364 |
26 |
|
I |
58 |
14 |
8862 |
◊ |
E |
y,x,-z |
7_555 |
53 |
14 |
8859 |
518.9 |
-4.0 |
0.243 |
8 |
10 |
0 |
0.364 |
27 |
|
K |
57 |
14 |
8860 |
◊ |
A |
y,x,-z |
7_555 |
52 |
15 |
8857 |
515.8 |
-4.0 |
0.252 |
8 |
10 |
0 |
0.364 |
28 |
|
H |
53 |
14 |
8853 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
8857 |
511.3 |
-3.9 |
0.228 |
7 |
10 |
0 |
0.364 |
29 |
|
J |
56 |
14 |
8865 |
◊ |
G |
x,y,z |
1_555 |
51 |
14 |
8858 |
508.4 |
-4.1 |
0.237 |
8 |
10 |
0 |
0.364 |
30 |
|
K |
50 |
13 |
8860 |
◊ |
H |
y,x,-z |
7_555 |
55 |
14 |
8853 |
499.8 |
-3.9 |
0.253 |
7 |
9 |
0 |
0.364 |
| Average: |
519.8 |
-4.0 |
0.241 |
8 |
10 |
0 |
0.364 |
| 4 |
31 |
|
[HEM]C:201 |
38 |
1 |
825 |
f |
D |
x,y,z |
1_555 |
40 |
13 |
8869 |
332.5 |
-11.0 |
0.254 |
0 |
0 |
0 |
0.257 |
32 |
|
[HEM]I:204 |
40 |
1 |
825 |
f |
J |
x,y,z |
1_555 |
39 |
13 |
8865 |
332.1 |
-11.1 |
0.243 |
0 |
0 |
0 |
0.257 |
33 |
|
[HEM]E:202 |
40 |
1 |
824 |
f |
F |
x,y,z |
1_555 |
40 |
13 |
8869 |
331.9 |
-11.0 |
0.256 |
0 |
0 |
0 |
0.257 |
34 |
|
[HEM]A:200 |
38 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
40 |
13 |
8861 |
331.8 |
-11.0 |
0.249 |
0 |
0 |
0 |
0.257 |
35 |
|
[HEM]G:203 |
39 |
1 |
827 |
f |
H |
x,y,z |
1_555 |
40 |
13 |
8853 |
331.7 |
-11.1 |
0.251 |
0 |
0 |
0 |
0.257 |
36 |
|
[HEM]K:205 |
39 |
1 |
823 |
f |
L |
x,y,z |
1_555 |
39 |
13 |
8857 |
330.4 |
-11.0 |
0.242 |
0 |
0 |
0 |
0.257 |
| Average: |
331.7 |
-11.0 |
0.249 |
0 |
0 |
0 |
0.257 |
| 5 |
37 |
|
[HEM]G:203 |
37 |
1 |
827 |
◊ |
G |
x,y,z |
1_555 |
40 |
13 |
8858 |
327.4 |
-10.6 |
0.271 |
0 |
0 |
0 |
0.167 |
38 |
|
[HEM]C:201 |
38 |
1 |
825 |
◊ |
C |
x,y,z |
1_555 |
40 |
13 |
8848 |
327.0 |
-10.5 |
0.276 |
0 |
0 |
0 |
0.167 |
39 |
|
[HEM]I:204 |
38 |
1 |
825 |
◊ |
I |
x,y,z |
1_555 |
41 |
13 |
8862 |
326.5 |
-10.5 |
0.277 |
0 |
0 |
0 |
0.167 |
40 |
|
[HEM]A:200 |
38 |
1 |
821 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
8857 |
326.4 |
-10.6 |
0.270 |
0 |
0 |
0 |
0.167 |
41 |
|
[HEM]K:205 |
38 |
1 |
823 |
◊ |
K |
x,y,z |
1_555 |
41 |
13 |
8860 |
325.5 |
-10.5 |
0.284 |
0 |
0 |
0 |
0.167 |
42 |
|
[HEM]E:202 |
38 |
1 |
824 |
◊ |
E |
x,y,z |
1_555 |
40 |
13 |
8859 |
325.3 |
-10.5 |
0.273 |
0 |
0 |
0 |
0.167 |
| Average: |
326.3 |
-10.5 |
0.275 |
0 |
0 |
0 |
0.167 |
| 6 |
43 |
|
D |
13 |
5 |
8869 |
◊ |
H |
x-1/2,-y+1/2,-z+1/2 |
6_455 |
14 |
6 |
8853 |
134.9 |
-0.5 |
0.560 |
1 |
0 |
0 |
0.000 |
44 |
|
I |
17 |
6 |
8862 |
◊ |
A |
-y+1/2,x-1/2,z-1/2 |
3_544 |
13 |
5 |
8857 |
131.3 |
-0.7 |
0.535 |
0 |
0 |
0 |
0.000 |
45 |
|
F |
15 |
6 |
8869 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
13 |
5 |
8861 |
124.6 |
-0.7 |
0.524 |
0 |
0 |
0 |
0.000 |
46 |
|
G |
13 |
5 |
8858 |
◊ |
L |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
15 |
6 |
8857 |
114.5 |
-0.7 |
0.519 |
0 |
0 |
0 |
0.000 |
| Average: |
126.3 |
-0.7 |
0.534 |
0 |
0 |
0 |
0.000 |
| 7 |
47 |
|
J |
16 |
7 |
8865 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
17 |
7 |
8848 |
134.2 |
0.1 |
0.669 |
3 |
0 |
0 |
0.000 |
48 |
|
K |
13 |
5 |
8860 |
◊ |
E |
-y+1/2,x+1/2,z-1/2 |
3_554 |
13 |
5 |
8859 |
110.8 |
0.4 |
0.704 |
3 |
0 |
0 |
0.000 |
| Average: |
122.5 |
0.3 |
0.687 |
3 |
0 |
0 |
0.000 |
| 8 |
49 |
|
[MN]J:600 |
1 |
1 |
123 |
cf |
J |
x,y,z |
1_555 |
5 |
3 |
8865 |
54.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
50 |
|
[MN]I:600 |
1 |
1 |
123 |
cf |
I |
x,y,z |
1_555 |
6 |
3 |
8862 |
54.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.213 |
51 |
|
[MN]K:600 |
1 |
1 |
123 |
cf |
K |
x,y,z |
1_555 |
4 |
3 |
8860 |
54.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
52 |
|
[MN]L:600 |
1 |
1 |
123 |
cf |
L |
x,y,z |
1_555 |
6 |
4 |
8857 |
54.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
53 |
|
[MN]E:600 |
1 |
1 |
123 |
cf |
E |
x,y,z |
1_555 |
6 |
4 |
8859 |
54.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
54 |
|
[MN]F:600 |
1 |
1 |
123 |
cf |
F |
x,y,z |
1_555 |
6 |
4 |
8869 |
54.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
55 |
|
[MN]A:600 |
1 |
1 |
123 |
cf |
A |
x,y,z |
1_555 |
5 |
3 |
8857 |
54.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
56 |
|
[MN]C:600 |
1 |
1 |
123 |
cf |
C |
x,y,z |
1_555 |
6 |
4 |
8848 |
54.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
57 |
|
[MN]D:600 |
1 |
1 |
123 |
cf |
D |
x,y,z |
1_555 |
6 |
3 |
8869 |
54.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.213 |
58 |
|
[MN]G:600 |
1 |
1 |
123 |
cf |
G |
x,y,z |
1_555 |
7 |
5 |
8858 |
54.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
59 |
|
[MN]B:600 |
1 |
1 |
123 |
cf |
B |
x,y,z |
1_555 |
6 |
4 |
8861 |
53.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
60 |
|
[MN]H:600 |
1 |
1 |
123 |
cf |
H |
x,y,z |
1_555 |
5 |
3 |
8853 |
53.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
54.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
| 9 |
61 |
|
[MN]L:601 |
1 |
1 |
123 |
cf |
L |
x,y,z |
1_555 |
4 |
3 |
8857 |
53.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
62 |
|
[MN]J:601 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
3 |
3 |
8865 |
53.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
63 |
|
[MN]K:601 |
1 |
1 |
123 |
f |
K |
x,y,z |
1_555 |
3 |
3 |
8860 |
53.2 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
64 |
|
[MN]I:601 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
3 |
3 |
8862 |
53.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
65 |
|
[MN]F:601 |
1 |
1 |
123 |
cf |
F |
x,y,z |
1_555 |
4 |
3 |
8869 |
53.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
66 |
|
[MN]B:601 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
8861 |
53.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
67 |
|
[MN]D:601 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
8869 |
52.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
68 |
|
[MN]A:601 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
8857 |
52.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
69 |
|
[MN]E:601 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
8859 |
52.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
70 |
|
[MN]G:601 |
1 |
1 |
123 |
f |
G |
x,y,z |
1_555 |
2 |
2 |
8858 |
52.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
71 |
|
[MN]C:601 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
8848 |
52.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
72 |
|
[MN]H:601 |
1 |
1 |
123 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
8853 |
52.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
| Average: |
52.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
| 10 |
73 |
|
E |
5 |
2 |
8859 |
◊ |
E |
y,x,-z |
7_555 |
5 |
2 |
8859 |
34.8 |
0.7 |
0.806 |
0 |
0 |
0 |
0.000 |
74 |
|
L |
5 |
2 |
8857 |
◊ |
L |
y,x,-z |
7_555 |
4 |
2 |
8857 |
33.5 |
0.7 |
0.813 |
0 |
0 |
0 |
0.000 |
75 |
|
K |
4 |
2 |
8860 |
◊ |
I |
y,x,-z |
7_555 |
4 |
2 |
8862 |
27.7 |
0.6 |
0.807 |
0 |
0 |
0 |
0.000 |
76 |
|
F |
4 |
2 |
8869 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
8861 |
25.5 |
0.6 |
0.809 |
0 |
0 |
0 |
0.000 |
77 |
|
A |
5 |
2 |
8857 |
◊ |
A |
y,x,-z |
7_555 |
5 |
2 |
8857 |
25.2 |
0.5 |
0.771 |
0 |
0 |
0 |
0.000 |
78 |
|
H |
4 |
2 |
8853 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8869 |
24.2 |
0.6 |
0.794 |
0 |
0 |
0 |
0.000 |
79 |
|
G |
4 |
2 |
8858 |
◊ |
C |
y,x,-z |
7_555 |
4 |
2 |
8848 |
23.9 |
0.6 |
0.790 |
0 |
0 |
0 |
0.000 |
80 |
|
J |
4 |
2 |
8865 |
◊ |
J |
y,x,-z |
7_555 |
4 |
2 |
8865 |
17.6 |
0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
| Average: |
26.5 |
0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
| 11 |
81 |
|
[MN]H:601 |
1 |
1 |
123 |
f |
[MN]H:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.029 |
| 12 |
82 |
|
[MN]D:601 |
1 |
1 |
123 |
f |
[MN]D:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.5 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 13 |
83 |
|
[MN]G:601 |
1 |
1 |
123 |
f |
[MN]G:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 14 |
84 |
|
[MN]C:601 |
1 |
1 |
123 |
f |
[MN]C:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 15 |
85 |
|
[MN]B:601 |
1 |
1 |
123 |
f |
[MN]B:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 16 |
86 |
|
[MN]E:601 |
1 |
1 |
123 |
f |
[MN]E:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 17 |
87 |
|
[MN]F:601 |
1 |
1 |
123 |
f |
[MN]F:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 18 |
88 |
|
[MN]A:601 |
1 |
1 |
123 |
f |
[MN]A:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 19 |
89 |
|
[MN]L:601 |
1 |
1 |
123 |
f |
[MN]L:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 20 |
90 |
|
[MN]K:601 |
1 |
1 |
123 |
f |
[MN]K:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 21 |
91 |
|
[MN]I:601 |
1 |
1 |
123 |
f |
[MN]I:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 22 |
92 |
|
[MN]J:601 |
1 |
1 |
123 |
f |
[MN]J:600 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.028 |
| 23 |
93 |
|
F |
1 |
1 |
8869 |
◊ |
C |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
2 |
1 |
8848 |
2.8 |
0.0 |
0.568 |
0 |
0 |
0 |
0.000 |
94 |
|
J |
2 |
1 |
8865 |
◊ |
L |
-x+1/2,y-1/2,-z+1/2 |
5_545 |
1 |
1 |
8857 |
2.2 |
0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
95 |
|
I |
1 |
1 |
8862 |
◊ |
K |
-x+1/2,y-1/2,-z-1/2 |
5_544 |
2 |
1 |
8860 |
1.8 |
0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
96 |
|
E |
1 |
1 |
8859 |
◊ |
H |
x-1/2,-y+1/2,-z+1/2 |
6_455 |
1 |
1 |
8853 |
1.7 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
| Average: |
2.1 |
0.0 |
0.591 |
0 |
0 |
0 |
0.000 |
|