## |
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 |
94 |
25 |
7912 |
◊ |
A |
x,y,z |
1_555 |
97 |
25 |
7612 |
923.4 |
-11.5 |
0.374 |
8 |
0 |
0 |
0.279 |
2 |
|
D |
97 |
26 |
8135 |
◊ |
C |
x,y,z |
1_555 |
95 |
26 |
7857 |
916.8 |
-9.6 |
0.507 |
7 |
0 |
0 |
0.279 |
3 |
|
H |
94 |
25 |
7887 |
◊ |
G |
x,y,z |
1_555 |
91 |
24 |
7942 |
900.4 |
-9.2 |
0.465 |
7 |
0 |
0 |
0.279 |
4 |
|
J |
91 |
25 |
7969 |
◊ |
I |
x,y,z |
1_555 |
91 |
23 |
7753 |
892.8 |
-10.1 |
0.386 |
8 |
0 |
0 |
0.279 |
5 |
|
F |
92 |
26 |
7917 |
◊ |
E |
x,y,z |
1_555 |
90 |
24 |
7738 |
885.5 |
-9.6 |
0.459 |
6 |
0 |
0 |
0.279 |
6 |
|
L |
90 |
26 |
7978 |
◊ |
K |
x,y,z |
1_555 |
85 |
24 |
7775 |
869.0 |
-9.8 |
0.444 |
10 |
0 |
0 |
0.279 |
Average: |
898.0 |
-10.0 |
0.439 |
8 |
0 |
0 |
0.279 |
2 |
7 |
|
[HNI]I:201 |
43 |
1 |
858 |
f |
I |
x,y,z |
1_555 |
78 |
29 |
7753 |
627.5 |
-20.1 |
0.477 |
2 |
0 |
0 |
0.398 |
8 |
|
[HNI]A:201 |
43 |
1 |
851 |
f |
A |
x,y,z |
1_555 |
81 |
28 |
7612 |
609.5 |
-19.0 |
0.461 |
1 |
0 |
0 |
0.398 |
9 |
|
[HNI]E:201 |
43 |
1 |
848 |
f |
E |
x,y,z |
1_555 |
71 |
27 |
7738 |
600.7 |
-20.3 |
0.350 |
1 |
0 |
0 |
0.398 |
Average: |
612.6 |
-19.8 |
0.429 |
1 |
0 |
0 |
0.398 |
3 |
10 |
|
[HEM]G:201 |
43 |
1 |
853 |
f |
G |
x,y,z |
1_555 |
75 |
27 |
7942 |
605.6 |
-20.3 |
0.541 |
2 |
0 |
0 |
0.415 |
11 |
|
[HEM]C:201 |
43 |
1 |
840 |
f |
C |
x,y,z |
1_555 |
77 |
27 |
7857 |
604.4 |
-19.3 |
0.631 |
2 |
0 |
0 |
0.415 |
12 |
|
[HEM]K:201 |
43 |
1 |
847 |
f |
K |
x,y,z |
1_555 |
79 |
28 |
7775 |
599.8 |
-21.7 |
0.365 |
0 |
0 |
0 |
0.415 |
Average: |
603.3 |
-20.4 |
0.512 |
1 |
0 |
0 |
0.415 |
4 |
13 |
|
J |
71 |
16 |
7969 |
◊ |
K |
x,y,z |
1_555 |
66 |
18 |
7775 |
595.7 |
-5.8 |
0.543 |
3 |
0 |
0 |
0.129 |
14 |
|
L |
69 |
15 |
7978 |
◊ |
I |
x,y,z |
1_555 |
66 |
17 |
7753 |
584.1 |
-6.7 |
0.496 |
5 |
0 |
0 |
0.129 |
Average: |
589.9 |
-6.3 |
0.519 |
4 |
0 |
0 |
0.129 |
5 |
15 |
|
[HEM]B:201 |
43 |
1 |
838 |
f |
B |
x,y,z |
1_555 |
67 |
25 |
7912 |
575.0 |
-19.3 |
0.351 |
0 |
0 |
0 |
0.365 |
16 |
|
[HEM]F:201 |
43 |
1 |
838 |
f |
F |
x,y,z |
1_555 |
63 |
24 |
7917 |
567.6 |
-19.0 |
0.298 |
0 |
0 |
0 |
0.365 |
Average: |
571.3 |
-19.2 |
0.324 |
0 |
0 |
0 |
0.365 |
6 |
17 |
|
[HNI]H:201 |
42 |
1 |
836 |
f |
H |
x,y,z |
1_555 |
61 |
25 |
7887 |
564.6 |
-17.5 |
0.264 |
0 |
0 |
0 |
0.351 |
18 |
|
[HNI]L:201 |
42 |
1 |
824 |
f |
L |
x,y,z |
1_555 |
68 |
25 |
7978 |
559.0 |
-17.5 |
0.285 |
0 |
0 |
0 |
0.351 |
19 |
|
[HNI]D:201 |
41 |
1 |
826 |
f |
D |
x,y,z |
1_555 |
65 |
25 |
8135 |
554.7 |
-17.8 |
0.334 |
0 |
0 |
0 |
0.351 |
Average: |
559.4 |
-17.6 |
0.294 |
0 |
0 |
0 |
0.351 |
7 |
20 |
|
[HEM]J:201 |
42 |
1 |
840 |
f |
J |
x,y,z |
1_555 |
65 |
24 |
7969 |
552.2 |
-18.5 |
0.228 |
0 |
0 |
0 |
0.349 |
8 |
21 |
|
H |
68 |
16 |
7887 |
◊ |
E |
x,y,z |
1_555 |
56 |
14 |
7738 |
546.8 |
-4.3 |
0.646 |
5 |
0 |
0 |
0.108 |
22 |
|
F |
62 |
14 |
7917 |
◊ |
G |
x,y,z |
1_555 |
56 |
15 |
7942 |
540.8 |
-3.9 |
0.616 |
5 |
0 |
0 |
0.108 |
23 |
|
D |
70 |
16 |
8135 |
◊ |
A |
x,y,z |
1_555 |
57 |
14 |
7612 |
527.2 |
-3.4 |
0.685 |
5 |
0 |
0 |
0.108 |
24 |
|
B |
69 |
15 |
7912 |
◊ |
C |
x,y,z |
1_555 |
55 |
13 |
7857 |
519.5 |
-4.0 |
0.701 |
3 |
0 |
0 |
0.108 |
Average: |
533.6 |
-3.9 |
0.662 |
5 |
0 |
0 |
0.108 |
9 |
25 |
|
F |
29 |
9 |
7917 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
7912 |
266.0 |
0.6 |
0.817 |
9 |
3 |
0 |
0.000 |
10 |
26 |
|
J |
31 |
9 |
7969 |
◊ |
I |
-x+1/2,y-1/2,-z+1 |
4_546 |
23 |
9 |
7753 |
258.7 |
0.4 |
0.769 |
4 |
1 |
0 |
0.000 |
11 |
27 |
|
B |
27 |
8 |
7912 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
28 |
10 |
7775 |
231.5 |
0.9 |
0.861 |
3 |
2 |
0 |
0.000 |
12 |
28 |
|
E |
26 |
7 |
7738 |
◊ |
L |
-x,y-1,-z+1 |
2_546 |
24 |
7 |
7978 |
214.5 |
-1.1 |
0.598 |
1 |
2 |
0 |
0.000 |
13 |
29 |
|
J |
17 |
5 |
7969 |
◊ |
F |
x,y,z |
1_555 |
33 |
8 |
7917 |
212.2 |
-3.2 |
0.210 |
1 |
0 |
0 |
0.000 |
14 |
30 |
|
G |
18 |
8 |
7942 |
◊ |
E |
x,y,z |
1_555 |
21 |
8 |
7738 |
201.6 |
-1.0 |
0.669 |
0 |
0 |
0 |
0.009 |
15 |
31 |
|
G |
24 |
6 |
7942 |
◊ |
H |
x,y-1,z |
1_545 |
18 |
7 |
7887 |
194.8 |
-0.5 |
0.687 |
1 |
0 |
0 |
0.000 |
16 |
32 |
|
G |
19 |
5 |
7942 |
◊ |
B |
x,y-1,z |
1_545 |
21 |
7 |
7912 |
192.5 |
-1.8 |
0.520 |
2 |
0 |
0 |
0.000 |
17 |
33 |
|
D |
20 |
6 |
8135 |
◊ |
B |
x,y,z |
1_555 |
27 |
9 |
7912 |
186.1 |
-1.4 |
0.605 |
0 |
0 |
0 |
0.012 |
34 |
|
H |
21 |
7 |
7887 |
◊ |
F |
x,y,z |
1_555 |
23 |
5 |
7917 |
155.2 |
-0.2 |
0.711 |
0 |
0 |
0 |
0.012 |
Average: |
170.7 |
-0.8 |
0.658 |
0 |
0 |
0 |
0.012 |
18 |
35 |
|
H |
21 |
8 |
7887 |
◊ |
D |
-x,y,-z |
2_555 |
21 |
8 |
8135 |
181.7 |
-0.4 |
0.694 |
2 |
0 |
0 |
0.000 |
19 |
36 |
|
C |
19 |
7 |
7857 |
◊ |
A |
x,y,z |
1_555 |
27 |
10 |
7612 |
173.5 |
-2.6 |
0.481 |
0 |
0 |
0 |
0.022 |
20 |
37 |
|
G |
23 |
11 |
7942 |
◊ |
C |
x,y-1,z |
1_545 |
21 |
9 |
7857 |
173.4 |
-1.4 |
0.638 |
0 |
1 |
0 |
0.000 |
21 |
38 |
|
G |
13 |
4 |
7942 |
◊ |
L |
-x,y-1,-z+1 |
2_546 |
25 |
7 |
7978 |
157.0 |
-0.8 |
0.610 |
0 |
0 |
0 |
0.000 |
22 |
39 |
|
L |
21 |
9 |
7978 |
◊ |
E |
-x,y,-z+1 |
2_556 |
14 |
4 |
7738 |
149.9 |
-1.1 |
0.630 |
0 |
1 |
0 |
0.000 |
23 |
40 |
|
L |
17 |
6 |
7978 |
◊ |
H |
-x,y,-z+1 |
2_556 |
20 |
6 |
7887 |
147.2 |
-1.2 |
0.594 |
0 |
0 |
0 |
0.000 |
24 |
41 |
|
F |
17 |
4 |
7917 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
7 |
7912 |
140.3 |
-1.2 |
0.549 |
2 |
2 |
0 |
0.000 |
25 |
42 |
|
J |
17 |
5 |
7969 |
◊ |
I |
x,y-1,z |
1_545 |
12 |
5 |
7753 |
137.1 |
0.9 |
0.729 |
1 |
0 |
0 |
0.000 |
26 |
43 |
|
G |
18 |
7 |
7942 |
◊ |
C |
-x,y-1,-z |
2_545 |
18 |
7 |
7857 |
130.4 |
-0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
D |
19 |
6 |
8135 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
16 |
7 |
7612 |
126.7 |
-2.1 |
0.422 |
1 |
0 |
0 |
0.000 |
28 |
45 |
|
D |
16 |
5 |
8135 |
◊ |
K |
x,y,z-1 |
1_554 |
16 |
6 |
7775 |
118.6 |
-0.7 |
0.652 |
1 |
1 |
0 |
0.000 |
29 |
46 |
|
L |
14 |
5 |
7978 |
◊ |
J |
x,y,z |
1_555 |
11 |
5 |
7969 |
117.3 |
-1.5 |
0.456 |
0 |
0 |
0 |
0.012 |
30 |
47 |
|
D |
10 |
3 |
8135 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
4 |
7857 |
115.5 |
0.7 |
0.754 |
0 |
0 |
0 |
0.000 |
31 |
48 |
|
K |
14 |
6 |
7775 |
◊ |
I |
x,y,z |
1_555 |
16 |
7 |
7753 |
114.4 |
-0.3 |
0.674 |
0 |
0 |
0 |
0.002 |
32 |
49 |
|
F |
12 |
4 |
7917 |
◊ |
I |
x,y-1,z |
1_545 |
12 |
4 |
7753 |
101.0 |
-1.4 |
0.474 |
1 |
1 |
0 |
0.000 |
33 |
50 |
|
F |
8 |
3 |
7917 |
◊ |
I |
x,y,z |
1_555 |
12 |
5 |
7753 |
99.3 |
0.1 |
0.611 |
1 |
0 |
0 |
0.000 |
34 |
51 |
|
J |
11 |
5 |
7969 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
14 |
9 |
7612 |
95.6 |
-1.0 |
0.553 |
1 |
0 |
0 |
0.000 |
35 |
52 |
|
C |
10 |
5 |
7857 |
◊ |
K |
x,y,z-1 |
1_554 |
8 |
3 |
7775 |
91.8 |
-0.2 |
0.666 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
K |
12 |
4 |
7775 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
4 |
7612 |
91.2 |
-1.2 |
0.497 |
0 |
0 |
0 |
0.000 |
37 |
54 |
|
G |
9 |
3 |
7942 |
◊ |
K |
-x,y-1,-z+1 |
2_546 |
8 |
2 |
7775 |
84.1 |
-2.3 |
0.221 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
J |
9 |
5 |
7969 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
9 |
4 |
7912 |
82.9 |
0.1 |
0.588 |
0 |
0 |
0 |
0.000 |
39 |
56 |
|
A |
10 |
4 |
7612 |
◊ |
K |
-x+1/2,y-1/2,-z+1 |
4_546 |
13 |
6 |
7775 |
82.8 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
40 |
57 |
|
G |
10 |
4 |
7942 |
◊ |
D |
-x,y-1,-z |
2_545 |
7 |
2 |
8135 |
76.8 |
-0.9 |
0.469 |
0 |
0 |
0 |
0.000 |
41 |
58 |
|
A |
7 |
3 |
7612 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
9 |
4 |
7612 |
75.5 |
1.2 |
0.858 |
0 |
2 |
0 |
0.000 |
42 |
59 |
|
A |
13 |
5 |
7612 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
7 |
3 |
7857 |
72.7 |
-0.9 |
0.427 |
0 |
0 |
0 |
0.000 |
43 |
60 |
|
H |
19 |
7 |
7887 |
◊ |
C |
-x,y-1,-z |
2_545 |
11 |
5 |
7857 |
71.9 |
0.8 |
0.787 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
E |
10 |
6 |
7738 |
◊ |
I |
x,y-1,z |
1_545 |
8 |
2 |
7753 |
64.1 |
-1.7 |
0.345 |
0 |
0 |
0 |
0.000 |
45 |
62 |
|
G |
10 |
4 |
7942 |
◊ |
F |
x,y-1,z |
1_545 |
6 |
2 |
7917 |
59.0 |
-0.1 |
0.370 |
0 |
0 |
0 |
0.000 |
46 |
63 |
|
E |
6 |
2 |
7738 |
◊ |
L |
x,y-1,z |
1_545 |
8 |
3 |
7978 |
57.5 |
-1.5 |
0.314 |
0 |
0 |
0 |
0.000 |
47 |
64 |
|
J |
4 |
3 |
7969 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
7738 |
42.9 |
-1.1 |
0.224 |
0 |
0 |
0 |
0.000 |
48 |
65 |
|
[HEM]J:201 |
4 |
1 |
840 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
6 |
2 |
7612 |
36.0 |
-2.3 |
0.435 |
0 |
0 |
0 |
0.000 |
49 |
66 |
|
L |
5 |
4 |
7978 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
7738 |
35.2 |
0.9 |
0.800 |
0 |
0 |
0 |
0.000 |
50 |
67 |
|
L |
3 |
1 |
7978 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7917 |
32.0 |
-0.5 |
0.342 |
0 |
0 |
0 |
0.000 |
51 |
68 |
|
[HEM]G:201 |
3 |
1 |
853 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
1 |
7912 |
24.7 |
-1.4 |
0.417 |
0 |
0 |
0 |
0.000 |
52 |
69 |
|
J |
5 |
3 |
7969 |
◊ |
K |
x,y-1,z |
1_545 |
5 |
3 |
7775 |
24.7 |
0.5 |
0.798 |
0 |
0 |
0 |
0.000 |
53 |
70 |
|
H |
5 |
2 |
7887 |
◊ |
K |
-x,y-1,-z+1 |
2_546 |
2 |
1 |
7775 |
21.7 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
54 |
71 |
|
[HNI]D:201 |
3 |
1 |
826 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
2 |
7857 |
13.0 |
-0.2 |
0.774 |
0 |
0 |
0 |
0.000 |
55 |
72 |
|
G |
3 |
3 |
7942 |
◊ |
[HEM]B:201 |
x,y-1,z |
1_545 |
4 |
1 |
838 |
12.8 |
-0.7 |
0.736 |
0 |
0 |
0 |
0.000 |
56 |
73 |
|
[HEM]F:201 |
1 |
1 |
838 |
◊ |
B |
x,y-1,z |
1_545 |
3 |
3 |
7912 |
10.6 |
-0.7 |
0.373 |
0 |
0 |
0 |
0.000 |
57 |
74 |
|
D |
1 |
1 |
8135 |
◊ |
[HEM]C:201 |
x,y-1,z |
1_545 |
2 |
1 |
840 |
7.5 |
-0.3 |
0.494 |
0 |
0 |
0 |
0.000 |
58 |
75 |
|
H |
2 |
1 |
7887 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8135 |
7.1 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
59 |
76 |
|
F |
1 |
1 |
7917 |
◊ |
[HNI]I:201 |
x,y-1,z |
1_545 |
1 |
1 |
858 |
5.6 |
-0.2 |
0.613 |
0 |
0 |
0 |
0.000 |
60 |
77 |
|
[HNI]E:201 |
1 |
1 |
848 |
◊ |
L |
-x,y,-z+1 |
2_556 |
1 |
1 |
7978 |
5.1 |
-0.4 |
0.398 |
0 |
0 |
0 |
0.000 |
61 |
78 |
|
[HNI]A:201 |
1 |
1 |
851 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
7857 |
1.8 |
-0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
62 |
79 |
|
H |
1 |
1 |
7887 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
7857 |
0.8 |
0.0 |
0.748 |
0 |
0 |
0 |
0.000 |
|