## |
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 |
|
G |
90 |
23 |
8213 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
91 |
22 |
8294 |
839.2 |
-10.1 |
0.246 |
14 |
10 |
0 |
1.000 |
2 |
|
K |
95 |
22 |
8288 |
◊ |
F |
x,y,z |
1_555 |
87 |
24 |
8286 |
837.7 |
-9.9 |
0.267 |
13 |
10 |
0 |
1.000 |
3 |
|
I |
93 |
23 |
8180 |
◊ |
C |
x,y,z |
1_555 |
88 |
22 |
8247 |
830.4 |
-10.7 |
0.279 |
12 |
9 |
0 |
1.000 |
4 |
|
J |
92 |
23 |
8239 |
◊ |
H |
x,y,z |
1_555 |
90 |
22 |
8255 |
826.8 |
-10.1 |
0.302 |
14 |
10 |
0 |
1.000 |
5 |
|
E |
90 |
23 |
8209 |
◊ |
B |
x,y,z |
1_555 |
91 |
23 |
8203 |
826.2 |
-10.1 |
0.286 |
12 |
8 |
0 |
1.000 |
6 |
|
D |
93 |
22 |
8197 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
93 |
22 |
8197 |
771.4 |
-8.8 |
0.316 |
12 |
12 |
0 |
1.000 |
7 |
|
L |
89 |
21 |
8221 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
88 |
21 |
8221 |
758.0 |
-8.9 |
0.248 |
12 |
8 |
0 |
1.000 |
Average: |
812.8 |
-9.8 |
0.278 |
13 |
10 |
0 |
1.000 |
2 |
8 |
|
K |
55 |
15 |
8288 |
◊ |
H |
x,y,z |
1_555 |
53 |
12 |
8255 |
524.9 |
-6.8 |
0.254 |
7 |
11 |
0 |
1.000 |
9 |
|
F |
53 |
12 |
8286 |
◊ |
E |
x,y,z |
1_555 |
56 |
14 |
8209 |
524.5 |
-6.6 |
0.221 |
8 |
9 |
0 |
1.000 |
10 |
|
E |
55 |
12 |
8209 |
◊ |
C |
x,y,z |
1_555 |
58 |
14 |
8247 |
524.2 |
-6.9 |
0.240 |
5 |
10 |
0 |
1.000 |
11 |
|
F |
60 |
15 |
8286 |
◊ |
C |
x,y,z |
1_555 |
54 |
12 |
8247 |
519.1 |
-6.0 |
0.305 |
7 |
11 |
0 |
1.000 |
12 |
|
L |
61 |
15 |
8221 |
◊ |
A |
-x,y,-z-1/2 |
3_554 |
56 |
12 |
8294 |
517.2 |
-6.6 |
0.239 |
7 |
10 |
0 |
1.000 |
13 |
|
B |
55 |
12 |
8203 |
◊ |
A |
x,y,z |
1_555 |
58 |
15 |
8294 |
517.1 |
-6.6 |
0.288 |
7 |
10 |
0 |
1.000 |
14 |
|
I |
57 |
12 |
8180 |
◊ |
G |
x,y,z |
1_555 |
57 |
14 |
8213 |
516.8 |
-6.5 |
0.300 |
5 |
11 |
0 |
1.000 |
15 |
|
J |
56 |
15 |
8239 |
◊ |
G |
-x,y,-z-1/2 |
3_554 |
53 |
11 |
8213 |
516.7 |
-6.6 |
0.283 |
7 |
9 |
0 |
1.000 |
16 |
|
K |
55 |
12 |
8288 |
◊ |
D |
x,y,z |
1_555 |
59 |
15 |
8197 |
514.4 |
-6.9 |
0.250 |
6 |
8 |
0 |
1.000 |
17 |
|
H |
55 |
15 |
8255 |
◊ |
D |
x,y,z |
1_555 |
55 |
13 |
8197 |
513.7 |
-6.7 |
0.268 |
6 |
10 |
0 |
1.000 |
18 |
|
L |
56 |
12 |
8221 |
◊ |
B |
-x,y,-z-1/2 |
3_554 |
55 |
14 |
8203 |
512.8 |
-6.7 |
0.253 |
7 |
9 |
0 |
1.000 |
19 |
|
J |
55 |
12 |
8239 |
◊ |
I |
-x,y,-z-1/2 |
3_554 |
58 |
16 |
8180 |
510.6 |
-5.6 |
0.396 |
8 |
10 |
0 |
1.000 |
Average: |
517.7 |
-6.6 |
0.275 |
7 |
10 |
0 |
1.000 |
3 |
20 |
|
J |
51 |
14 |
8239 |
◊ |
A |
x,y,z |
1_555 |
57 |
15 |
8294 |
475.7 |
-3.6 |
0.552 |
6 |
0 |
0 |
0.205 |
21 |
|
K |
58 |
14 |
8288 |
◊ |
E |
x,y,z |
1_555 |
53 |
15 |
8209 |
474.8 |
-4.0 |
0.564 |
5 |
0 |
0 |
0.205 |
22 |
|
E |
59 |
14 |
8209 |
◊ |
A |
x,y,z |
1_555 |
51 |
14 |
8294 |
472.5 |
-3.5 |
0.571 |
5 |
0 |
0 |
0.205 |
23 |
|
G |
50 |
14 |
8213 |
◊ |
C |
x,y,z |
1_555 |
57 |
14 |
8247 |
466.1 |
-4.7 |
0.507 |
6 |
0 |
0 |
0.205 |
24 |
|
F |
56 |
14 |
8286 |
◊ |
D |
x,y,z |
1_555 |
54 |
15 |
8197 |
465.1 |
-4.2 |
0.535 |
4 |
0 |
0 |
0.205 |
25 |
|
L |
52 |
14 |
8221 |
◊ |
B |
x,y,z |
1_555 |
50 |
14 |
8203 |
464.1 |
-3.7 |
0.574 |
5 |
0 |
0 |
0.205 |
26 |
|
C |
51 |
14 |
8247 |
◊ |
B |
x,y,z |
1_555 |
60 |
15 |
8203 |
462.7 |
-4.6 |
0.552 |
5 |
0 |
0 |
0.205 |
27 |
|
I |
59 |
14 |
8180 |
◊ |
F |
x,y,z |
1_555 |
50 |
15 |
8286 |
461.4 |
-4.4 |
0.535 |
6 |
0 |
0 |
0.205 |
28 |
|
K |
51 |
14 |
8288 |
◊ |
J |
x,y,z |
1_555 |
57 |
14 |
8239 |
457.8 |
-4.4 |
0.536 |
5 |
0 |
0 |
0.205 |
29 |
|
H |
47 |
13 |
8255 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
59 |
13 |
8197 |
446.7 |
-5.1 |
0.480 |
5 |
0 |
0 |
0.205 |
30 |
|
L |
48 |
13 |
8221 |
◊ |
G |
x,y,z |
1_555 |
47 |
14 |
8213 |
435.9 |
-3.0 |
0.571 |
6 |
0 |
0 |
0.205 |
31 |
|
I |
49 |
14 |
8180 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
47 |
13 |
8255 |
424.4 |
-4.0 |
0.517 |
6 |
0 |
0 |
0.205 |
Average: |
458.9 |
-4.1 |
0.541 |
5 |
0 |
0 |
0.205 |
4 |
32 |
|
L |
44 |
13 |
8221 |
◊ |
H |
x-1/2,y+1/2,z |
5_455 |
39 |
12 |
8255 |
401.8 |
-1.4 |
0.696 |
3 |
0 |
0 |
0.000 |
5 |
33 |
|
K |
44 |
15 |
8288 |
◊ |
K |
x,-y-1,-z |
4_545 |
44 |
15 |
8288 |
368.3 |
0.4 |
0.818 |
4 |
6 |
0 |
0.000 |
6 |
34 |
|
[HEM]B:201 |
39 |
1 |
841 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
8203 |
342.3 |
-10.9 |
0.347 |
0 |
0 |
0 |
0.284 |
35 |
|
[HEM]J:201 |
38 |
1 |
833 |
◊ |
H |
x,y,z |
1_555 |
38 |
13 |
8255 |
340.5 |
-10.8 |
0.361 |
0 |
0 |
0 |
0.284 |
36 |
|
[HEM]K:201 |
40 |
1 |
835 |
◊ |
F |
x,y,z |
1_555 |
40 |
13 |
8286 |
334.6 |
-10.8 |
0.336 |
0 |
0 |
0 |
0.284 |
37 |
|
[HEM]I:201 |
38 |
1 |
838 |
◊ |
C |
x,y,z |
1_555 |
39 |
13 |
8247 |
333.8 |
-10.9 |
0.382 |
0 |
0 |
0 |
0.284 |
38 |
|
[HEM]A:201 |
38 |
1 |
831 |
◊ |
A |
x,y,z |
1_555 |
38 |
13 |
8294 |
332.7 |
-10.8 |
0.290 |
0 |
0 |
0 |
0.284 |
39 |
|
[HEM]L:201 |
37 |
1 |
834 |
◊ |
L |
x,y,z |
1_555 |
40 |
13 |
8221 |
241.3 |
-7.4 |
0.341 |
0 |
0 |
0 |
0.284 |
40 |
|
[HEM]D:201 |
39 |
1 |
830 |
◊ |
D |
x,y,z |
1_555 |
39 |
13 |
8197 |
240.7 |
-7.5 |
0.364 |
0 |
0 |
0 |
0.284 |
Average: |
309.4 |
-9.9 |
0.346 |
0 |
0 |
0 |
0.284 |
7 |
41 |
|
[HEM]B:201 |
38 |
1 |
841 |
◊ |
E |
x,y,z |
1_555 |
38 |
13 |
8209 |
333.1 |
-10.8 |
0.306 |
0 |
0 |
0 |
0.282 |
42 |
|
[HEM]A:201 |
38 |
1 |
831 |
◊ |
G |
-x,y,-z-1/2 |
3_554 |
38 |
13 |
8213 |
331.8 |
-10.7 |
0.326 |
0 |
0 |
0 |
0.282 |
43 |
|
[HEM]K:201 |
38 |
1 |
835 |
◊ |
K |
x,y,z |
1_555 |
38 |
13 |
8288 |
331.1 |
-10.5 |
0.335 |
0 |
0 |
0 |
0.282 |
44 |
|
[HEM]I:201 |
39 |
1 |
838 |
◊ |
I |
x,y,z |
1_555 |
38 |
13 |
8180 |
329.8 |
-10.6 |
0.317 |
0 |
0 |
0 |
0.282 |
45 |
|
[HEM]J:201 |
37 |
1 |
833 |
◊ |
J |
x,y,z |
1_555 |
38 |
13 |
8239 |
329.3 |
-10.7 |
0.321 |
0 |
0 |
0 |
0.282 |
46 |
|
[HEM]D:201 |
38 |
1 |
830 |
◊ |
D |
-x,y,-z-1/2 |
3_554 |
39 |
13 |
8197 |
242.9 |
-7.5 |
0.363 |
0 |
0 |
0 |
0.282 |
47 |
|
[HEM]L:201 |
37 |
1 |
834 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
39 |
13 |
8221 |
241.4 |
-7.4 |
0.351 |
0 |
0 |
0 |
0.282 |
Average: |
305.6 |
-9.8 |
0.331 |
0 |
0 |
0 |
0.282 |
8 |
48 |
|
[HEM]L:201 |
43 |
1 |
834 |
f |
[HEM]L:201 |
-x,y,-z-1/2 |
3_554 |
43 |
1 |
834 |
290.5 |
-13.3 |
1.000 |
0 |
0 |
0 |
0.228 |
49 |
|
[HEM]D:201 |
43 |
1 |
830 |
f |
[HEM]D:201 |
-x,y,-z-1/2 |
3_554 |
43 |
1 |
830 |
286.3 |
-13.6 |
0.999 |
0 |
0 |
0 |
0.228 |
Average: |
288.4 |
-13.4 |
0.999 |
0 |
0 |
0 |
0.228 |
9 |
50 |
|
E |
25 |
8 |
8209 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
21 |
7 |
8294 |
227.9 |
-1.3 |
0.562 |
2 |
0 |
0 |
0.000 |
10 |
51 |
|
D |
25 |
9 |
8197 |
◊ |
G |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
22 |
8 |
8213 |
216.4 |
-0.4 |
0.709 |
1 |
0 |
0 |
0.000 |
11 |
52 |
|
F |
24 |
8 |
8286 |
◊ |
A |
x-1/2,-y-1/2,-z |
8_445 |
21 |
8 |
8294 |
208.0 |
-0.6 |
0.650 |
2 |
4 |
0 |
0.000 |
12 |
53 |
|
D |
14 |
5 |
8197 |
◊ |
L |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
8 |
2 |
8221 |
128.8 |
1.0 |
0.757 |
2 |
0 |
0 |
0.000 |
13 |
54 |
|
E |
6 |
3 |
8209 |
◊ |
J |
x-1/2,-y-1/2,-z |
8_445 |
9 |
2 |
8239 |
63.0 |
-0.1 |
0.654 |
1 |
0 |
0 |
0.000 |
14 |
55 |
|
I |
10 |
3 |
8180 |
◊ |
L |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
5 |
4 |
8221 |
56.1 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
15 |
56 |
|
[K]B:202 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
8247 |
54.5 |
-28.1 |
0.000 |
0 |
0 |
0 |
0.816 |
57 |
|
[K]A:202 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
8294 |
53.3 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.816 |
58 |
|
[K]D:202 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
10 |
3 |
8180 |
53.1 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.816 |
59 |
|
[K]A:202 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
8209 |
53.0 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.816 |
60 |
|
[K]A:202 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
7 |
2 |
8288 |
52.8 |
-26.9 |
0.000 |
0 |
0 |
0 |
0.816 |
61 |
|
[K]B:202 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
10 |
3 |
8221 |
52.6 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.816 |
62 |
|
[K]A:202 |
1 |
1 |
216 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
8239 |
52.4 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.816 |
63 |
|
[K]D:202 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
8286 |
52.3 |
-27.1 |
0.000 |
0 |
0 |
0 |
0.816 |
64 |
|
[K]B:202 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
8203 |
52.2 |
-25.7 |
0.000 |
0 |
0 |
0 |
0.816 |
65 |
|
[K]D:202 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
8197 |
51.9 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.816 |
66 |
|
[K]B:202 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
8 |
2 |
8213 |
50.8 |
-25.8 |
0.000 |
0 |
0 |
0 |
0.816 |
67 |
|
[K]D:202 |
1 |
1 |
216 |
◊ |
H |
-x,y,-z-1/2 |
3_554 |
9 |
2 |
8255 |
50.7 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.816 |
Average: |
52.5 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.816 |
16 |
68 |
|
B |
9 |
2 |
8203 |
◊ |
H |
x-1/2,y+1/2,z |
5_455 |
6 |
2 |
8255 |
53.3 |
0.8 |
0.828 |
0 |
0 |
0 |
0.000 |
17 |
69 |
|
G |
4 |
3 |
8213 |
◊ |
E |
-x-1/2,-y-1/2,z-1/2 |
6_444 |
8 |
4 |
8209 |
52.4 |
-1.3 |
0.247 |
0 |
0 |
0 |
0.000 |
18 |
70 |
|
F |
7 |
2 |
8286 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
4 |
3 |
8294 |
29.8 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
19 |
71 |
|
I |
5 |
2 |
8180 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
8197 |
25.5 |
0.7 |
0.876 |
0 |
0 |
0 |
0.000 |
72 |
|
L |
7 |
2 |
8221 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
8247 |
22.5 |
0.5 |
0.818 |
0 |
0 |
0 |
0.000 |
73 |
|
K |
6 |
2 |
8288 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
8294 |
20.6 |
0.5 |
0.808 |
0 |
0 |
0 |
0.000 |
74 |
|
H |
6 |
2 |
8255 |
◊ |
F |
-x,y,-z-1/2 |
3_554 |
6 |
2 |
8286 |
20.4 |
0.5 |
0.811 |
0 |
0 |
0 |
0.000 |
75 |
|
J |
5 |
2 |
8239 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
8209 |
17.2 |
0.4 |
0.792 |
0 |
0 |
0 |
0.000 |
76 |
|
G |
5 |
2 |
8213 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8203 |
15.2 |
0.4 |
0.798 |
0 |
0 |
0 |
0.000 |
Average: |
20.2 |
0.5 |
0.817 |
0 |
0 |
0 |
0.000 |
20 |
77 |
|
D |
3 |
1 |
8197 |
◊ |
A |
x-1/2,y-1/2,z |
5_445 |
3 |
2 |
8294 |
22.8 |
0.0 |
0.548 |
0 |
0 |
0 |
0.000 |
21 |
78 |
|
B |
3 |
1 |
8203 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
8197 |
14.6 |
-0.2 |
0.339 |
0 |
0 |
0 |
0.000 |
22 |
79 |
|
C |
3 |
2 |
8247 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
3 |
2 |
8197 |
12.7 |
-0.1 |
0.572 |
0 |
0 |
0 |
0.000 |
23 |
80 |
|
I |
4 |
3 |
8180 |
◊ |
I |
-x-1,y,-z-1/2 |
3_454 |
4 |
3 |
8180 |
10.7 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
24 |
81 |
|
G |
1 |
1 |
8213 |
◊ |
D |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
8197 |
4.2 |
-0.0 |
0.556 |
0 |
0 |
0 |
0.000 |
|