| ## |
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 |
|
K |
91 |
22 |
8170 |
◊ |
F |
x,y,z |
1_555 |
93 |
24 |
8334 |
834.4 |
-10.7 |
0.240 |
14 |
11 |
0 |
1.000 |
2 |
|
B |
89 |
22 |
8232 |
◊ |
A |
x,y,z |
1_555 |
91 |
24 |
8210 |
823.4 |
-10.1 |
0.278 |
14 |
12 |
0 |
1.000 |
3 |
|
J |
90 |
22 |
8079 |
◊ |
D |
x,y,z |
1_555 |
85 |
22 |
8173 |
819.8 |
-10.1 |
0.299 |
14 |
12 |
0 |
1.000 |
4 |
|
G |
90 |
21 |
8164 |
◊ |
E |
x,y,z |
1_555 |
90 |
22 |
8328 |
814.2 |
-9.6 |
0.301 |
17 |
11 |
0 |
1.000 |
5 |
|
H |
88 |
22 |
8157 |
◊ |
C |
x,y,z |
1_555 |
85 |
20 |
8114 |
812.3 |
-9.9 |
0.280 |
12 |
10 |
0 |
1.000 |
6 |
|
I |
92 |
23 |
8078 |
◊ |
I |
y,x,-z+2 |
7_557 |
92 |
23 |
8078 |
801.3 |
-9.3 |
0.330 |
14 |
8 |
0 |
1.000 |
7 |
|
L |
84 |
20 |
8178 |
◊ |
L |
y,x,-z+2 |
7_557 |
85 |
21 |
8178 |
751.8 |
-9.2 |
0.247 |
12 |
8 |
0 |
1.000 |
| Average: |
808.2 |
-9.8 |
0.282 |
14 |
10 |
0 |
1.000 |
| 2 |
8 |
|
L |
61 |
14 |
8178 |
◊ |
A |
x,y,z |
1_555 |
53 |
11 |
8210 |
517.5 |
-6.5 |
0.305 |
6 |
11 |
0 |
1.000 |
9 |
|
E |
50 |
12 |
8328 |
◊ |
D |
x,y,z |
1_555 |
57 |
14 |
8173 |
493.3 |
-3.6 |
0.491 |
6 |
10 |
0 |
1.000 |
10 |
|
L |
51 |
11 |
8178 |
◊ |
F |
x,y,z |
1_555 |
59 |
15 |
8334 |
492.3 |
-4.2 |
0.496 |
7 |
11 |
0 |
1.000 |
11 |
|
J |
53 |
14 |
8079 |
◊ |
H |
y,x,-z+2 |
7_557 |
54 |
14 |
8157 |
491.4 |
-3.8 |
0.534 |
5 |
11 |
0 |
1.000 |
12 |
|
K |
51 |
12 |
8170 |
◊ |
H |
y,x,-z+2 |
7_557 |
55 |
13 |
8157 |
490.0 |
-4.2 |
0.447 |
6 |
11 |
0 |
1.000 |
13 |
|
C |
53 |
13 |
8114 |
◊ |
B |
x,y,z |
1_555 |
57 |
14 |
8232 |
489.2 |
-3.4 |
0.578 |
6 |
11 |
0 |
1.000 |
14 |
|
G |
57 |
14 |
8164 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
8232 |
487.1 |
-3.6 |
0.540 |
7 |
10 |
0 |
1.000 |
15 |
|
G |
54 |
13 |
8164 |
◊ |
C |
x,y,z |
1_555 |
55 |
15 |
8114 |
486.9 |
-3.8 |
0.544 |
6 |
10 |
0 |
1.000 |
16 |
|
F |
55 |
13 |
8334 |
◊ |
A |
x,y,z |
1_555 |
56 |
14 |
8210 |
485.7 |
-4.2 |
0.513 |
7 |
8 |
0 |
1.000 |
17 |
|
K |
55 |
12 |
8170 |
◊ |
J |
x,y,z |
1_555 |
52 |
11 |
8079 |
471.7 |
-3.2 |
0.536 |
6 |
9 |
0 |
1.000 |
18 |
|
I |
50 |
12 |
8078 |
◊ |
E |
x,y,z |
1_555 |
55 |
13 |
8328 |
469.0 |
-2.6 |
0.633 |
5 |
9 |
0 |
1.000 |
19 |
|
I |
52 |
13 |
8078 |
◊ |
D |
x,y,z |
1_555 |
47 |
11 |
8173 |
451.3 |
-4.5 |
0.481 |
5 |
7 |
0 |
1.000 |
| Average: |
485.5 |
-4.0 |
0.508 |
6 |
10 |
0 |
1.000 |
| 3 |
20 |
|
K |
56 |
15 |
8170 |
◊ |
D |
x,y,z |
1_555 |
56 |
14 |
8173 |
478.8 |
-3.8 |
0.588 |
6 |
0 |
0 |
0.217 |
21 |
|
H |
55 |
13 |
8157 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
8232 |
467.9 |
-4.4 |
0.503 |
6 |
0 |
0 |
0.217 |
22 |
|
G |
56 |
13 |
8164 |
◊ |
D |
x,y,z |
1_555 |
50 |
15 |
8173 |
467.1 |
-4.7 |
0.499 |
7 |
0 |
0 |
0.217 |
23 |
|
E |
56 |
13 |
8328 |
◊ |
C |
x,y,z |
1_555 |
50 |
14 |
8114 |
465.3 |
-4.5 |
0.506 |
5 |
0 |
0 |
0.217 |
24 |
|
L |
51 |
15 |
8178 |
◊ |
B |
x,y,z |
1_555 |
57 |
13 |
8232 |
464.9 |
-4.4 |
0.557 |
6 |
0 |
0 |
0.217 |
25 |
|
G |
47 |
13 |
8164 |
◊ |
A |
x,y,z |
1_555 |
55 |
13 |
8210 |
459.9 |
-4.5 |
0.522 |
6 |
0 |
0 |
0.217 |
26 |
|
I |
55 |
13 |
8078 |
◊ |
E |
y,x,-z+2 |
7_557 |
48 |
13 |
8328 |
453.8 |
-4.5 |
0.504 |
6 |
0 |
0 |
0.217 |
27 |
|
K |
54 |
13 |
8170 |
◊ |
A |
x,y,z |
1_555 |
51 |
13 |
8210 |
453.6 |
-4.3 |
0.478 |
6 |
0 |
0 |
0.217 |
28 |
|
L |
55 |
13 |
8178 |
◊ |
F |
y,x,-z+2 |
7_557 |
50 |
14 |
8334 |
453.3 |
-4.7 |
0.465 |
6 |
0 |
0 |
0.217 |
29 |
|
H |
52 |
15 |
8157 |
◊ |
F |
y,x,-z+2 |
7_557 |
54 |
12 |
8334 |
452.3 |
-4.6 |
0.507 |
7 |
0 |
0 |
0.217 |
30 |
|
J |
48 |
13 |
8079 |
◊ |
C |
y,x,-z+2 |
7_557 |
52 |
14 |
8114 |
435.7 |
-4.3 |
0.513 |
5 |
0 |
0 |
0.217 |
31 |
|
J |
45 |
12 |
8079 |
◊ |
I |
x,y,z |
1_555 |
46 |
15 |
8078 |
420.8 |
-4.6 |
0.484 |
7 |
0 |
0 |
0.217 |
| Average: |
456.1 |
-4.4 |
0.510 |
6 |
0 |
0 |
0.217 |
| 4 |
32 |
|
F |
49 |
16 |
8334 |
◊ |
E |
-x+3/2,y-1/2,-z+5/2 |
5_647 |
43 |
13 |
8328 |
435.3 |
-2.1 |
0.626 |
6 |
0 |
0 |
0.000 |
| 5 |
33 |
|
[HEM]F:201 |
38 |
1 |
831 |
◊ |
F |
x,y,z |
1_555 |
39 |
13 |
8334 |
339.7 |
-11.2 |
0.281 |
0 |
0 |
0 |
0.288 |
34 |
|
[HEM]E:201 |
38 |
1 |
830 |
◊ |
G |
x,y,z |
1_555 |
39 |
13 |
8164 |
336.8 |
-11.1 |
0.368 |
0 |
0 |
0 |
0.288 |
35 |
|
[HEM]C:202 |
36 |
1 |
832 |
◊ |
C |
x,y,z |
1_555 |
38 |
13 |
8114 |
336.2 |
-11.1 |
0.315 |
0 |
0 |
0 |
0.288 |
36 |
|
[HEM]D:201 |
39 |
1 |
830 |
◊ |
J |
x,y,z |
1_555 |
40 |
13 |
8079 |
335.9 |
-10.3 |
0.454 |
0 |
0 |
0 |
0.288 |
37 |
|
[HEM]A:202 |
39 |
1 |
838 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
8210 |
335.1 |
-10.5 |
0.392 |
0 |
0 |
0 |
0.288 |
38 |
|
[HEM]L:201 |
39 |
1 |
818 |
◊ |
L |
x,y,z |
1_555 |
41 |
13 |
8178 |
239.3 |
-7.2 |
0.389 |
0 |
0 |
0 |
0.288 |
39 |
|
[HEM]I:201 |
37 |
1 |
821 |
◊ |
I |
y,x,-z+2 |
7_557 |
42 |
13 |
8078 |
236.4 |
-7.1 |
0.443 |
0 |
0 |
0 |
0.288 |
| Average: |
308.5 |
-9.8 |
0.378 |
0 |
0 |
0 |
0.288 |
| 6 |
40 |
|
[HEM]A:202 |
38 |
1 |
838 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
8232 |
337.8 |
-11.0 |
0.289 |
0 |
0 |
0 |
0.281 |
41 |
|
[HEM]C:202 |
38 |
1 |
832 |
◊ |
H |
x,y,z |
1_555 |
39 |
13 |
8157 |
335.8 |
-10.8 |
0.333 |
0 |
0 |
0 |
0.281 |
42 |
|
[HEM]D:201 |
39 |
1 |
830 |
◊ |
D |
x,y,z |
1_555 |
40 |
13 |
8173 |
334.0 |
-11.1 |
0.339 |
0 |
0 |
0 |
0.281 |
43 |
|
[HEM]F:201 |
37 |
1 |
831 |
◊ |
K |
x,y,z |
1_555 |
39 |
13 |
8170 |
330.2 |
-11.1 |
0.313 |
0 |
0 |
0 |
0.281 |
44 |
|
[HEM]E:201 |
37 |
1 |
830 |
◊ |
E |
x,y,z |
1_555 |
38 |
13 |
8328 |
329.8 |
-10.8 |
0.276 |
0 |
0 |
0 |
0.281 |
45 |
|
[HEM]I:201 |
36 |
1 |
821 |
◊ |
I |
x,y,z |
1_555 |
39 |
13 |
8078 |
246.8 |
-7.5 |
0.397 |
0 |
0 |
0 |
0.281 |
46 |
|
[HEM]L:201 |
37 |
1 |
818 |
◊ |
L |
y,x,-z+2 |
7_557 |
39 |
13 |
8178 |
244.0 |
-7.5 |
0.344 |
0 |
0 |
0 |
0.281 |
| Average: |
308.4 |
-10.0 |
0.327 |
0 |
0 |
0 |
0.281 |
| 7 |
47 |
|
A |
34 |
12 |
8210 |
◊ |
J |
x-1/2,-y+3/2,-z+5/2 |
6_467 |
38 |
14 |
8079 |
311.7 |
-1.3 |
0.704 |
1 |
0 |
0 |
0.000 |
| 8 |
48 |
|
[HEM]I:201 |
43 |
1 |
821 |
f |
[HEM]I:201 |
y,x,-z+2 |
7_557 |
43 |
1 |
821 |
279.8 |
-12.5 |
1.000 |
0 |
0 |
0 |
0.214 |
49 |
|
[HEM]L:201 |
42 |
1 |
818 |
f |
[HEM]L:201 |
y,x,-z+2 |
7_557 |
42 |
1 |
818 |
275.5 |
-12.2 |
1.000 |
0 |
0 |
0 |
0.214 |
| Average: |
277.7 |
-12.4 |
1.000 |
0 |
0 |
0 |
0.214 |
| 9 |
50 |
|
K |
16 |
5 |
8170 |
◊ |
K |
y,x,-z+3 |
7_558 |
16 |
5 |
8170 |
132.9 |
1.8 |
0.890 |
4 |
0 |
0 |
0.000 |
| 10 |
51 |
|
E |
16 |
4 |
8328 |
◊ |
H |
-y+3/2,x+1/2,z+1/2 |
3_655 |
15 |
5 |
8157 |
132.8 |
0.6 |
0.763 |
3 |
0 |
0 |
0.000 |
| 11 |
52 |
|
J |
8 |
5 |
8079 |
◊ |
D |
y,x,-z+3 |
7_558 |
15 |
6 |
8173 |
92.3 |
-0.9 |
0.308 |
0 |
0 |
0 |
0.000 |
| 12 |
53 |
|
A |
10 |
3 |
8210 |
◊ |
I |
x-1/2,-y+3/2,-z+5/2 |
6_467 |
10 |
3 |
8078 |
87.3 |
1.5 |
0.881 |
1 |
0 |
0 |
0.000 |
| 13 |
54 |
|
E |
7 |
3 |
8328 |
◊ |
L |
-y+3/2,x+1/2,z+1/2 |
3_655 |
5 |
2 |
8178 |
65.4 |
-0.5 |
0.483 |
0 |
0 |
0 |
0.000 |
| 14 |
55 |
|
B |
10 |
4 |
8232 |
◊ |
J |
x-1/2,-y+3/2,-z+5/2 |
6_467 |
8 |
6 |
8079 |
54.2 |
-0.7 |
0.523 |
0 |
0 |
0 |
0.000 |
| 15 |
56 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
F |
y,x,-z+2 |
7_557 |
10 |
3 |
8334 |
54.1 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.798 |
57 |
|
[K]C:201 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
8328 |
53.2 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.798 |
58 |
|
[K]A:201 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
8210 |
53.1 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.798 |
59 |
|
[K]A:201 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
8173 |
52.8 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.798 |
60 |
|
[K]A:201 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
8164 |
52.7 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.798 |
61 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
8232 |
52.7 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.798 |
62 |
|
[K]C:201 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
8114 |
52.4 |
-27.0 |
0.000 |
0 |
0 |
0 |
0.798 |
63 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
8157 |
52.1 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.798 |
64 |
|
[K]A:201 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
9 |
2 |
8170 |
52.0 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.798 |
65 |
|
[K]C:201 |
1 |
1 |
216 |
◊ |
I |
y,x,-z+2 |
7_557 |
8 |
2 |
8078 |
51.7 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.798 |
66 |
|
[K]C:201 |
1 |
1 |
216 |
◊ |
J |
y,x,-z+2 |
7_557 |
7 |
2 |
8079 |
51.2 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.798 |
67 |
|
[K]B:201 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
8178 |
50.6 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.798 |
| Average: |
52.4 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.798 |
| 16 |
68 |
|
K |
7 |
3 |
8170 |
◊ |
E |
-x+3/2,y-1/2,-z+5/2 |
5_647 |
4 |
3 |
8328 |
54.1 |
-0.9 |
0.352 |
0 |
0 |
0 |
0.000 |
| 17 |
69 |
|
D |
2 |
2 |
8173 |
◊ |
D |
y,x,-z+3 |
7_558 |
2 |
2 |
8173 |
42.0 |
-1.2 |
0.101 |
0 |
0 |
0 |
0.000 |
| 18 |
70 |
|
G |
7 |
4 |
8164 |
◊ |
H |
-y+3/2,x+1/2,z+1/2 |
3_655 |
6 |
4 |
8157 |
39.5 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
| 19 |
71 |
|
A |
2 |
1 |
8210 |
◊ |
D |
x-1/2,-y+3/2,-z+5/2 |
6_467 |
2 |
1 |
8173 |
29.0 |
-0.9 |
0.149 |
0 |
0 |
0 |
0.000 |
| 20 |
72 |
|
I |
5 |
2 |
8078 |
◊ |
C |
y,x,-z+2 |
7_557 |
6 |
2 |
8114 |
28.9 |
0.7 |
0.863 |
0 |
0 |
0 |
0.000 |
73 |
|
J |
5 |
2 |
8079 |
◊ |
E |
y,x,-z+2 |
7_557 |
6 |
2 |
8328 |
25.1 |
0.6 |
0.841 |
0 |
0 |
0 |
0.000 |
74 |
|
L |
5 |
2 |
8178 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
8157 |
24.6 |
0.6 |
0.850 |
0 |
0 |
0 |
0.000 |
75 |
|
F |
5 |
2 |
8334 |
◊ |
B |
y,x,-z+2 |
7_557 |
5 |
2 |
8232 |
24.3 |
0.6 |
0.840 |
0 |
0 |
0 |
0.000 |
76 |
|
D |
5 |
2 |
8173 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
8210 |
24.2 |
0.6 |
0.839 |
0 |
0 |
0 |
0.000 |
77 |
|
K |
5 |
2 |
8170 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
8164 |
20.8 |
0.5 |
0.823 |
0 |
0 |
0 |
0.000 |
| Average: |
24.6 |
0.6 |
0.843 |
0 |
0 |
0 |
0.000 |
| 21 |
78 |
|
J |
2 |
1 |
8079 |
◊ |
G |
y,x,-z+3 |
7_558 |
1 |
1 |
8164 |
15.8 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
| 22 |
79 |
|
K |
2 |
1 |
8170 |
◊ |
J |
y,x,-z+3 |
7_558 |
1 |
1 |
8079 |
5.1 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
|