## |
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 |
|
I |
68 |
17 |
20864 |
◊ |
G |
x,y,z |
1_555 |
84 |
23 |
20764 |
737.7 |
-5.0 |
0.417 |
15 |
2 |
0 |
0.315 |
2 |
|
L |
68 |
17 |
20799 |
◊ |
K |
x,y,z-1 |
1_554 |
81 |
23 |
20687 |
732.8 |
-4.8 |
0.425 |
17 |
2 |
0 |
0.315 |
3 |
|
J |
69 |
16 |
20592 |
◊ |
H |
x,y,z |
1_555 |
81 |
23 |
20773 |
732.4 |
-4.8 |
0.432 |
17 |
2 |
0 |
0.315 |
4 |
|
F |
65 |
16 |
20559 |
◊ |
E |
x,y,z |
1_555 |
85 |
23 |
20734 |
731.4 |
-4.5 |
0.387 |
16 |
2 |
0 |
0.315 |
5 |
|
H |
68 |
17 |
20773 |
◊ |
C |
x,y,z |
1_555 |
82 |
23 |
20727 |
726.6 |
-4.6 |
0.365 |
18 |
3 |
0 |
0.315 |
6 |
|
G |
70 |
17 |
20764 |
◊ |
B |
x,y,z |
1_555 |
82 |
22 |
20673 |
726.4 |
-2.9 |
0.420 |
17 |
2 |
0 |
0.315 |
7 |
|
I |
85 |
23 |
20864 |
◊ |
B |
x,y,z |
1_555 |
71 |
17 |
20673 |
725.9 |
-5.2 |
0.425 |
17 |
2 |
0 |
0.315 |
8 |
|
L |
84 |
23 |
20799 |
◊ |
D |
x,y,z |
1_555 |
70 |
17 |
20582 |
725.7 |
-4.6 |
0.424 |
17 |
2 |
0 |
0.315 |
9 |
|
J |
82 |
23 |
20592 |
◊ |
C |
x,y,z |
1_555 |
67 |
16 |
20727 |
723.4 |
-5.1 |
0.371 |
17 |
2 |
0 |
0.315 |
10 |
|
D |
79 |
23 |
20582 |
◊ |
K |
x,y,z-1 |
1_554 |
67 |
17 |
20687 |
716.6 |
-3.9 |
0.428 |
16 |
2 |
0 |
0.315 |
11 |
|
E |
68 |
17 |
20734 |
◊ |
A |
x,y,z |
1_555 |
80 |
22 |
20506 |
712.0 |
-4.2 |
0.419 |
17 |
2 |
0 |
0.315 |
12 |
|
F |
77 |
23 |
20559 |
◊ |
A |
x,y,z |
1_555 |
68 |
17 |
20506 |
710.1 |
-3.9 |
0.420 |
15 |
1 |
0 |
0.315 |
Average: |
725.1 |
-4.5 |
0.411 |
17 |
2 |
0 |
0.315 |
2 |
13 |
|
K |
64 |
21 |
20687 |
◊ |
B |
x,y,z |
1_555 |
68 |
19 |
20673 |
615.1 |
-3.6 |
0.485 |
2 |
3 |
0 |
0.000 |
14 |
|
E |
63 |
21 |
20734 |
◊ |
C |
x,y,z |
1_555 |
54 |
17 |
20727 |
571.9 |
-2.5 |
0.500 |
2 |
4 |
0 |
0.000 |
Average: |
593.5 |
-3.1 |
0.493 |
2 |
4 |
0 |
0.000 |
3 |
15 |
|
I |
65 |
13 |
20864 |
◊ |
H |
x,y-1,z |
1_545 |
66 |
14 |
20773 |
602.5 |
-10.9 |
0.064 |
0 |
0 |
0 |
0.081 |
16 |
|
G |
59 |
13 |
20764 |
◊ |
J |
x,y-1,z |
1_545 |
64 |
13 |
20592 |
534.6 |
-11.5 |
0.028 |
0 |
0 |
0 |
0.081 |
Average: |
568.6 |
-11.2 |
0.046 |
0 |
0 |
0 |
0.081 |
4 |
17 |
|
[HEM]H:601 |
43 |
1 |
815 |
f |
H |
x,y,z |
1_555 |
85 |
33 |
20773 |
601.2 |
-22.2 |
0.438 |
8 |
0 |
0 |
0.606 |
18 |
|
[HEM]G:601 |
43 |
1 |
821 |
f |
G |
x,y,z |
1_555 |
82 |
32 |
20764 |
591.1 |
-21.9 |
0.459 |
8 |
0 |
0 |
0.606 |
19 |
|
[HEM]C:601 |
43 |
1 |
823 |
f |
C |
x,y,z |
1_555 |
87 |
33 |
20727 |
559.1 |
-20.7 |
0.420 |
8 |
0 |
0 |
0.606 |
20 |
|
[HEM]E:601 |
43 |
1 |
826 |
f |
E |
x,y,z |
1_555 |
83 |
32 |
20734 |
558.2 |
-20.7 |
0.433 |
9 |
0 |
0 |
0.606 |
21 |
|
[HEM]L:601 |
43 |
1 |
825 |
f |
L |
x,y,z |
1_555 |
83 |
33 |
20799 |
555.8 |
-21.8 |
0.331 |
6 |
0 |
0 |
0.606 |
22 |
|
[HEM]J:601 |
43 |
1 |
824 |
f |
J |
x,y,z |
1_555 |
87 |
32 |
20592 |
555.8 |
-20.4 |
0.460 |
9 |
0 |
0 |
0.606 |
23 |
|
[HEM]I:601 |
43 |
1 |
807 |
f |
I |
x,y,z |
1_555 |
85 |
31 |
20864 |
550.6 |
-19.1 |
0.564 |
8 |
0 |
0 |
0.606 |
24 |
|
[HEM]D:601 |
43 |
1 |
817 |
f |
D |
x,y,z |
1_555 |
81 |
32 |
20582 |
550.2 |
-20.4 |
0.465 |
9 |
0 |
0 |
0.606 |
25 |
|
[HEM]K:601 |
43 |
1 |
826 |
f |
K |
x,y,z |
1_555 |
81 |
31 |
20687 |
549.7 |
-20.6 |
0.426 |
9 |
0 |
0 |
0.606 |
26 |
|
[HEM]A:601 |
43 |
1 |
821 |
f |
A |
x,y,z |
1_555 |
84 |
33 |
20506 |
548.5 |
-20.3 |
0.452 |
9 |
0 |
0 |
0.606 |
27 |
|
[HEM]B:601 |
43 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
84 |
33 |
20673 |
545.4 |
-20.0 |
0.418 |
9 |
0 |
0 |
0.606 |
28 |
|
[HEM]F:601 |
43 |
1 |
806 |
f |
F |
x,y,z |
1_555 |
87 |
32 |
20559 |
540.8 |
-19.5 |
0.496 |
10 |
0 |
0 |
0.606 |
Average: |
558.9 |
-20.6 |
0.447 |
9 |
0 |
0 |
0.606 |
5 |
29 |
|
L |
63 |
12 |
20799 |
◊ |
E |
x,y-1,z |
1_545 |
57 |
12 |
20734 |
581.2 |
-9.8 |
0.069 |
1 |
0 |
0 |
0.068 |
30 |
|
K |
56 |
12 |
20687 |
◊ |
F |
x,y-1,z+1 |
1_546 |
55 |
10 |
20559 |
467.0 |
-8.7 |
0.087 |
1 |
0 |
0 |
0.068 |
Average: |
524.1 |
-9.2 |
0.078 |
1 |
0 |
0 |
0.068 |
6 |
31 |
|
B |
58 |
12 |
20673 |
◊ |
C |
x,y-1,z |
1_545 |
62 |
12 |
20727 |
536.1 |
-12.2 |
0.016 |
0 |
0 |
0 |
0.044 |
7 |
32 |
|
D |
53 |
11 |
20582 |
◊ |
A |
x,y-1,z |
1_545 |
54 |
12 |
20506 |
520.6 |
-12.4 |
0.009 |
0 |
0 |
0 |
0.044 |
8 |
33 |
|
H |
41 |
12 |
20773 |
◊ |
A |
x,y,z |
1_555 |
49 |
16 |
20506 |
401.6 |
-2.0 |
0.540 |
3 |
1 |
0 |
0.000 |
34 |
|
D |
40 |
15 |
20582 |
◊ |
G |
x,y,z-1 |
1_554 |
39 |
11 |
20764 |
334.5 |
-2.0 |
0.517 |
2 |
0 |
0 |
0.000 |
Average: |
368.0 |
-2.0 |
0.529 |
3 |
1 |
0 |
0.000 |
9 |
35 |
|
F |
41 |
17 |
20559 |
◊ |
G |
x-1,y+1,z-1 |
1_464 |
44 |
14 |
20764 |
386.4 |
-5.0 |
0.209 |
2 |
0 |
0 |
0.000 |
10 |
36 |
|
[QHC]D:602 |
22 |
1 |
521 |
f |
D |
x,y,z |
1_555 |
52 |
21 |
20582 |
352.2 |
-5.5 |
0.191 |
1 |
0 |
0 |
0.047 |
11 |
37 |
|
[QHC]I:602 |
23 |
1 |
531 |
f |
I |
x,y,z |
1_555 |
49 |
21 |
20864 |
345.6 |
-5.2 |
0.213 |
0 |
0 |
0 |
0.088 |
38 |
|
[QHC]B:602 |
23 |
1 |
529 |
f |
B |
x,y,z |
1_555 |
53 |
23 |
20673 |
342.5 |
-5.3 |
0.134 |
0 |
0 |
0 |
0.088 |
39 |
|
[QHC]E:602 |
23 |
1 |
526 |
f |
E |
x,y,z |
1_555 |
47 |
22 |
20734 |
338.0 |
-5.3 |
0.185 |
0 |
0 |
0 |
0.088 |
40 |
|
[QHC]K:602 |
22 |
1 |
528 |
f |
K |
x,y,z |
1_555 |
48 |
21 |
20687 |
337.6 |
-4.9 |
0.193 |
0 |
0 |
0 |
0.088 |
41 |
|
[QHC]C:602 |
23 |
1 |
529 |
f |
C |
x,y,z |
1_555 |
47 |
21 |
20727 |
336.4 |
-4.3 |
0.202 |
0 |
0 |
0 |
0.088 |
42 |
|
[QHC]A:602 |
23 |
1 |
520 |
f |
A |
x,y,z |
1_555 |
51 |
22 |
20506 |
336.2 |
-4.9 |
0.189 |
0 |
0 |
0 |
0.088 |
Average: |
339.4 |
-5.0 |
0.186 |
0 |
0 |
0 |
0.088 |
12 |
43 |
|
[QHC]J:602 |
22 |
1 |
529 |
f |
J |
x,y,z |
1_555 |
49 |
21 |
20592 |
333.0 |
-4.6 |
0.224 |
0 |
0 |
0 |
0.045 |
44 |
|
[QHC]F:602 |
23 |
1 |
523 |
f |
F |
x,y,z |
1_555 |
48 |
23 |
20559 |
331.8 |
-5.2 |
0.144 |
1 |
0 |
0 |
0.045 |
45 |
|
[QHC]L:602 |
23 |
1 |
524 |
f |
L |
x,y,z |
1_555 |
50 |
23 |
20799 |
328.4 |
-5.1 |
0.227 |
0 |
0 |
0 |
0.045 |
Average: |
331.1 |
-5.0 |
0.198 |
0 |
0 |
0 |
0.045 |
13 |
46 |
|
I |
38 |
11 |
20864 |
◊ |
D |
x,y,z |
1_555 |
34 |
11 |
20582 |
307.7 |
-3.3 |
0.388 |
3 |
0 |
0 |
0.000 |
47 |
|
A |
33 |
11 |
20506 |
◊ |
J |
x,y,z-1 |
1_554 |
37 |
11 |
20592 |
300.9 |
-1.2 |
0.547 |
2 |
0 |
0 |
0.000 |
Average: |
304.3 |
-2.2 |
0.467 |
3 |
0 |
0 |
0.000 |
14 |
48 |
|
L |
33 |
9 |
20799 |
◊ |
I |
x,y,z |
1_555 |
31 |
12 |
20864 |
264.4 |
-0.7 |
0.616 |
2 |
0 |
0 |
0.000 |
49 |
|
F |
33 |
10 |
20559 |
◊ |
J |
x,y,z-1 |
1_554 |
28 |
11 |
20592 |
239.9 |
-0.8 |
0.554 |
0 |
0 |
0 |
0.000 |
Average: |
252.2 |
-0.8 |
0.585 |
1 |
0 |
0 |
0.000 |
15 |
50 |
|
L |
35 |
13 |
20799 |
◊ |
I |
x-1,y,z |
1_455 |
27 |
10 |
20864 |
259.6 |
-4.2 |
0.215 |
0 |
0 |
0 |
0.000 |
16 |
51 |
|
E |
26 |
6 |
20734 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
9 |
20506 |
241.5 |
-0.5 |
0.472 |
2 |
0 |
0 |
0.000 |
17 |
52 |
|
E |
18 |
7 |
20734 |
◊ |
H |
x-1,y,z |
1_455 |
24 |
9 |
20773 |
203.8 |
0.1 |
0.676 |
1 |
4 |
0 |
0.000 |
18 |
53 |
|
B |
26 |
6 |
20673 |
◊ |
G |
x-1,y,z |
1_455 |
23 |
5 |
20764 |
203.4 |
-0.3 |
0.597 |
2 |
0 |
0 |
0.000 |
19 |
54 |
|
K |
24 |
8 |
20687 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
20727 |
200.7 |
-1.9 |
0.420 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
20 |
6 |
20734 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
20673 |
142.3 |
-1.0 |
0.504 |
1 |
0 |
0 |
0.000 |
Average: |
171.5 |
-1.4 |
0.462 |
1 |
0 |
0 |
0.000 |
20 |
56 |
|
K |
14 |
5 |
20687 |
◊ |
J |
x-1,y,z |
1_455 |
19 |
7 |
20592 |
185.2 |
-0.1 |
0.661 |
2 |
3 |
0 |
0.000 |
21 |
57 |
|
D |
16 |
6 |
20582 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
20506 |
135.2 |
-2.0 |
0.333 |
0 |
0 |
0 |
0.000 |
22 |
58 |
|
[QHC]L:602 |
14 |
1 |
524 |
f |
[HEM]L:601 |
x,y,z |
1_555 |
30 |
1 |
825 |
118.0 |
-0.2 |
0.794 |
0 |
0 |
0 |
0.003 |
59 |
|
[QHC]F:602 |
12 |
1 |
523 |
f |
[HEM]F:601 |
x,y,z |
1_555 |
29 |
1 |
806 |
112.5 |
-0.1 |
0.794 |
0 |
0 |
0 |
0.003 |
60 |
|
[QHC]J:602 |
11 |
1 |
529 |
f |
[HEM]J:601 |
x,y,z |
1_555 |
28 |
1 |
824 |
110.1 |
-0.4 |
0.803 |
0 |
0 |
0 |
0.003 |
Average: |
113.5 |
-0.2 |
0.797 |
0 |
0 |
0 |
0.003 |
23 |
61 |
|
[QHC]K:602 |
12 |
1 |
528 |
f |
[HEM]K:601 |
x,y,z |
1_555 |
29 |
1 |
826 |
112.5 |
0.0 |
0.787 |
0 |
0 |
0 |
0.008 |
62 |
|
[QHC]B:602 |
13 |
1 |
529 |
f |
[HEM]B:601 |
x,y,z |
1_555 |
27 |
1 |
815 |
111.5 |
-0.3 |
0.761 |
0 |
0 |
0 |
0.008 |
63 |
|
[QHC]A:602 |
11 |
1 |
520 |
f |
[HEM]A:601 |
x,y,z |
1_555 |
30 |
1 |
821 |
109.9 |
-0.4 |
0.793 |
0 |
0 |
0 |
0.008 |
64 |
|
[QHC]E:602 |
13 |
1 |
526 |
f |
[HEM]E:601 |
x,y,z |
1_555 |
27 |
1 |
826 |
108.4 |
-0.6 |
0.769 |
0 |
0 |
0 |
0.008 |
65 |
|
[QHC]I:602 |
12 |
1 |
531 |
f |
[HEM]I:601 |
x,y,z |
1_555 |
29 |
1 |
807 |
108.0 |
-0.7 |
0.778 |
0 |
0 |
0 |
0.008 |
66 |
|
[QHC]C:602 |
12 |
1 |
529 |
f |
[HEM]C:601 |
x,y,z |
1_555 |
27 |
1 |
823 |
104.3 |
-0.4 |
0.769 |
0 |
0 |
0 |
0.008 |
Average: |
109.1 |
-0.4 |
0.776 |
0 |
0 |
0 |
0.008 |
24 |
67 |
|
[QHC]D:602 |
12 |
1 |
521 |
f |
[HEM]D:601 |
x,y,z |
1_555 |
29 |
1 |
817 |
99.4 |
-0.9 |
0.755 |
0 |
0 |
0 |
0.007 |
25 |
68 |
|
F |
11 |
4 |
20559 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
5 |
20727 |
94.0 |
2.5 |
0.928 |
1 |
0 |
0 |
0.000 |
69 |
|
L |
3 |
1 |
20799 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20673 |
8.1 |
0.0 |
0.664 |
0 |
0 |
0 |
0.000 |
Average: |
51.0 |
1.2 |
0.796 |
1 |
0 |
0 |
0.000 |
26 |
70 |
|
D |
10 |
3 |
20582 |
◊ |
J |
x,y,z-1 |
1_554 |
10 |
5 |
20592 |
91.7 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
71 |
|
I |
11 |
4 |
20864 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
20506 |
79.9 |
-0.0 |
0.665 |
0 |
0 |
0 |
0.000 |
Average: |
85.8 |
0.1 |
0.677 |
0 |
0 |
0 |
0.000 |
27 |
72 |
|
J |
9 |
3 |
20592 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
20764 |
85.6 |
0.5 |
0.663 |
0 |
0 |
0 |
0.000 |
73 |
|
I |
3 |
2 |
20864 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
20773 |
31.3 |
0.4 |
0.784 |
0 |
0 |
0 |
0.000 |
Average: |
58.4 |
0.5 |
0.723 |
0 |
0 |
0 |
0.000 |
28 |
74 |
|
F |
5 |
2 |
20559 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
20506 |
33.3 |
-0.1 |
0.616 |
1 |
0 |
0 |
0.000 |
75 |
|
B |
4 |
1 |
20673 |
◊ |
I |
x-1,y,z |
1_455 |
3 |
3 |
20864 |
21.4 |
-0.5 |
0.360 |
0 |
0 |
0 |
0.000 |
Average: |
27.3 |
-0.3 |
0.488 |
1 |
0 |
0 |
0.000 |
29 |
76 |
|
C |
7 |
3 |
20727 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
20673 |
26.1 |
0.3 |
0.740 |
0 |
0 |
0 |
0.000 |
30 |
77 |
|
K |
5 |
3 |
20687 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
20592 |
19.3 |
0.3 |
0.809 |
0 |
0 |
0 |
0.000 |
|