## |
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 |
140 |
39 |
11955 |
◊ |
G |
x,y,z |
1_555 |
142 |
39 |
12180 |
1391.8 |
-11.1 |
0.478 |
21 |
5 |
0 |
0.409 |
2 |
|
J |
142 |
39 |
11919 |
◊ |
F |
x,y,z |
1_555 |
140 |
39 |
11862 |
1391.0 |
-10.4 |
0.447 |
21 |
5 |
0 |
0.409 |
3 |
|
C |
139 |
38 |
11899 |
◊ |
B |
x,y,z |
1_555 |
138 |
39 |
12172 |
1389.1 |
-10.9 |
0.463 |
22 |
4 |
0 |
0.409 |
4 |
|
J |
143 |
39 |
11919 |
◊ |
H |
x,y,z |
1_555 |
137 |
39 |
11955 |
1385.3 |
-10.6 |
0.452 |
23 |
4 |
0 |
0.409 |
5 |
|
E |
143 |
39 |
11942 |
◊ |
A |
x,y,z |
1_555 |
139 |
39 |
11809 |
1384.4 |
-10.0 |
0.477 |
20 |
5 |
0 |
0.409 |
6 |
|
I |
140 |
39 |
11965 |
◊ |
F |
x,y,z |
1_555 |
139 |
39 |
11862 |
1380.9 |
-11.1 |
0.413 |
23 |
4 |
0 |
0.409 |
7 |
|
I |
144 |
39 |
11965 |
◊ |
G |
x,y,z |
1_555 |
142 |
38 |
12180 |
1378.8 |
-11.9 |
0.458 |
21 |
4 |
0 |
0.409 |
8 |
|
E |
140 |
39 |
11942 |
◊ |
C |
x,y,z |
1_555 |
140 |
40 |
11899 |
1370.3 |
-10.2 |
0.492 |
21 |
4 |
0 |
0.409 |
9 |
|
D |
134 |
39 |
11753 |
◊ |
B |
x,y,z |
1_555 |
137 |
38 |
12172 |
1354.0 |
-12.4 |
0.420 |
18 |
3 |
0 |
0.409 |
10 |
|
D |
137 |
39 |
11753 |
◊ |
A |
x,y,z |
1_555 |
138 |
38 |
11809 |
1348.9 |
-11.4 |
0.445 |
21 |
4 |
0 |
0.409 |
Average: |
1377.5 |
-11.0 |
0.454 |
21 |
4 |
0 |
0.409 |
2 |
11 |
|
[HEM]C:250 |
43 |
1 |
827 |
f |
C |
x,y,z |
1_555 |
77 |
30 |
11899 |
610.8 |
-23.3 |
0.355 |
4 |
0 |
0 |
0.480 |
12 |
|
[HEM]E:250 |
43 |
1 |
822 |
f |
E |
x,y,z |
1_555 |
75 |
31 |
11942 |
609.6 |
-22.6 |
0.403 |
4 |
0 |
0 |
0.480 |
13 |
|
[HEM]B:250 |
43 |
1 |
825 |
f |
B |
x,y,z |
1_555 |
80 |
31 |
12172 |
607.5 |
-22.6 |
0.455 |
4 |
0 |
0 |
0.480 |
14 |
|
[HEM]F:250 |
43 |
1 |
819 |
f |
F |
x,y,z |
1_555 |
77 |
31 |
11862 |
607.1 |
-22.7 |
0.378 |
4 |
0 |
0 |
0.480 |
15 |
|
[HEM]G:250 |
43 |
1 |
822 |
f |
G |
x,y,z |
1_555 |
79 |
31 |
12180 |
606.5 |
-23.8 |
0.354 |
4 |
0 |
0 |
0.480 |
16 |
|
[HEM]H:250 |
43 |
1 |
815 |
f |
H |
x,y,z |
1_555 |
77 |
31 |
11955 |
606.3 |
-22.8 |
0.384 |
4 |
0 |
0 |
0.480 |
17 |
|
[HEM]J:250 |
43 |
1 |
812 |
f |
J |
x,y,z |
1_555 |
81 |
31 |
11919 |
605.3 |
-23.5 |
0.322 |
4 |
0 |
0 |
0.480 |
18 |
|
[HEM]D:250 |
43 |
1 |
816 |
f |
D |
x,y,z |
1_555 |
80 |
31 |
11753 |
605.1 |
-23.5 |
0.344 |
4 |
0 |
0 |
0.480 |
19 |
|
[HEM]I:250 |
43 |
1 |
816 |
f |
I |
x,y,z |
1_555 |
77 |
31 |
11965 |
604.5 |
-22.8 |
0.414 |
4 |
0 |
0 |
0.480 |
20 |
|
[HEM]A:250 |
43 |
1 |
815 |
f |
A |
x,y,z |
1_555 |
71 |
30 |
11809 |
592.2 |
-22.6 |
0.370 |
4 |
0 |
0 |
0.480 |
Average: |
605.5 |
-23.0 |
0.378 |
4 |
0 |
0 |
0.480 |
3 |
21 |
|
D |
39 |
13 |
11753 |
◊ |
C |
x-1,y,z |
1_455 |
47 |
15 |
11899 |
363.6 |
-4.3 |
0.327 |
4 |
0 |
0 |
0.000 |
22 |
|
A |
44 |
13 |
11809 |
◊ |
H |
x-1,y,z |
1_455 |
37 |
13 |
11955 |
356.7 |
-1.7 |
0.625 |
3 |
0 |
0 |
0.000 |
23 |
|
C |
31 |
10 |
11899 |
◊ |
F |
x,y,z-1 |
1_554 |
39 |
10 |
11862 |
327.4 |
-3.3 |
0.360 |
3 |
0 |
0 |
0.000 |
24 |
|
I |
31 |
10 |
11965 |
◊ |
H |
x-1,y,z |
1_455 |
39 |
14 |
11955 |
320.6 |
-3.9 |
0.297 |
4 |
0 |
0 |
0.000 |
Average: |
342.1 |
-3.3 |
0.402 |
4 |
0 |
0 |
0.000 |
4 |
25 |
|
A |
22 |
11 |
11809 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
27 |
7 |
12172 |
254.5 |
-3.6 |
0.289 |
1 |
2 |
0 |
0.000 |
26 |
|
F |
21 |
10 |
11862 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
9 |
12180 |
247.0 |
-3.9 |
0.209 |
1 |
2 |
0 |
0.000 |
Average: |
250.7 |
-3.7 |
0.249 |
1 |
2 |
0 |
0.000 |
5 |
27 |
|
B |
23 |
8 |
12172 |
◊ |
J |
x-1,y,z-1 |
1_454 |
29 |
9 |
11919 |
248.1 |
-0.8 |
0.632 |
2 |
2 |
0 |
0.000 |
6 |
28 |
|
G |
23 |
8 |
12180 |
◊ |
E |
x,y,z |
1_555 |
29 |
9 |
11942 |
242.4 |
-1.0 |
0.614 |
1 |
2 |
0 |
0.000 |
7 |
29 |
|
F |
29 |
10 |
11862 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
7 |
12172 |
210.5 |
-0.8 |
0.650 |
1 |
0 |
0 |
0.000 |
8 |
30 |
|
J |
24 |
8 |
11919 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
11 |
11753 |
197.0 |
-3.1 |
0.342 |
0 |
0 |
0 |
0.000 |
9 |
31 |
|
E |
28 |
10 |
11942 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
25 |
8 |
12180 |
193.6 |
-0.3 |
0.711 |
1 |
0 |
0 |
0.000 |
10 |
32 |
|
J |
17 |
7 |
11919 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
7 |
12180 |
130.5 |
-2.3 |
0.351 |
1 |
0 |
0 |
0.000 |
33 |
|
E |
11 |
5 |
11942 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
14 |
4 |
12172 |
108.1 |
-2.0 |
0.289 |
1 |
0 |
0 |
0.000 |
Average: |
119.3 |
-2.2 |
0.320 |
1 |
0 |
0 |
0.000 |
11 |
34 |
|
[GOL]E:252 |
5 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
21 |
10 |
11942 |
120.9 |
0.4 |
0.686 |
4 |
0 |
0 |
0.016 |
35 |
|
[GOL]I:252 |
5 |
1 |
220 |
f |
I |
x,y,z |
1_555 |
19 |
10 |
11965 |
120.9 |
0.4 |
0.697 |
4 |
0 |
0 |
0.016 |
36 |
|
[GOL]F:252 |
5 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
19 |
10 |
11862 |
119.9 |
0.4 |
0.684 |
4 |
0 |
0 |
0.016 |
37 |
|
[GOL]H:252 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
21 |
10 |
11955 |
119.5 |
0.2 |
0.645 |
4 |
0 |
0 |
0.016 |
38 |
|
[GOL]C:252 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
11899 |
118.8 |
0.3 |
0.659 |
4 |
0 |
0 |
0.016 |
Average: |
120.0 |
0.3 |
0.674 |
4 |
0 |
0 |
0.016 |
12 |
39 |
|
[GOL]B:252 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
12172 |
120.7 |
0.3 |
0.641 |
4 |
0 |
0 |
0.006 |
13 |
40 |
|
D |
7 |
4 |
11753 |
◊ |
F |
x-1,y,z-1 |
1_454 |
12 |
4 |
11862 |
120.2 |
0.1 |
0.679 |
1 |
2 |
0 |
0.000 |
14 |
41 |
|
[GOL]G:252 |
5 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
20 |
10 |
12180 |
120.0 |
0.3 |
0.693 |
4 |
0 |
0 |
0.006 |
42 |
|
[GOL]D:252 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
11753 |
118.8 |
0.3 |
0.662 |
4 |
0 |
0 |
0.006 |
Average: |
119.4 |
0.3 |
0.678 |
4 |
0 |
0 |
0.006 |
15 |
43 |
|
[GOL]A:252 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
11809 |
119.6 |
0.3 |
0.680 |
4 |
0 |
0 |
0.006 |
44 |
|
[GOL]J:252 |
5 |
1 |
221 |
f |
J |
x,y,z |
1_555 |
21 |
10 |
11919 |
119.5 |
0.5 |
0.692 |
4 |
0 |
0 |
0.006 |
Average: |
119.5 |
0.4 |
0.686 |
4 |
0 |
0 |
0.006 |
16 |
45 |
|
[GOL]H:253 |
5 |
1 |
222 |
◊ |
H |
x,y,z |
1_555 |
13 |
5 |
11955 |
112.2 |
0.2 |
0.606 |
2 |
0 |
0 |
0.003 |
46 |
|
[GOL]C:253 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
11899 |
106.4 |
0.1 |
0.622 |
2 |
0 |
0 |
0.003 |
Average: |
109.3 |
0.1 |
0.614 |
2 |
0 |
0 |
0.003 |
17 |
47 |
|
[GOL]I:253 |
5 |
1 |
221 |
◊ |
I |
x,y,z |
1_555 |
13 |
5 |
11965 |
110.2 |
-0.0 |
0.606 |
2 |
0 |
0 |
0.004 |
18 |
48 |
|
[GOL]D:253 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
11809 |
109.4 |
0.2 |
0.615 |
2 |
0 |
0 |
0.003 |
19 |
49 |
|
A |
15 |
6 |
11809 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
4 |
12180 |
90.2 |
-0.4 |
0.627 |
1 |
0 |
0 |
0.000 |
20 |
50 |
|
[SCN]E:251 |
3 |
1 |
182 |
f |
E |
x,y,z |
1_555 |
17 |
6 |
11942 |
89.0 |
-2.2 |
0.535 |
1 |
0 |
0 |
0.012 |
51 |
|
[SCN]I:251 |
3 |
1 |
179 |
f |
I |
x,y,z |
1_555 |
17 |
6 |
11965 |
86.0 |
-2.8 |
0.465 |
1 |
0 |
0 |
0.012 |
Average: |
87.5 |
-2.5 |
0.500 |
1 |
0 |
0 |
0.012 |
21 |
52 |
|
[SCN]H:251 |
3 |
1 |
178 |
f |
H |
x,y,z |
1_555 |
16 |
6 |
11955 |
88.3 |
-2.3 |
0.523 |
1 |
0 |
0 |
0.011 |
53 |
|
[SCN]B:251 |
3 |
1 |
179 |
f |
B |
x,y,z |
1_555 |
16 |
6 |
12172 |
87.9 |
-2.2 |
0.544 |
1 |
0 |
0 |
0.011 |
Average: |
88.1 |
-2.3 |
0.533 |
1 |
0 |
0 |
0.011 |
22 |
54 |
|
[SCN]C:251 |
3 |
1 |
178 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
11899 |
88.2 |
-3.0 |
0.487 |
1 |
0 |
0 |
0.013 |
23 |
55 |
|
[SCN]J:251 |
3 |
1 |
179 |
f |
J |
x,y,z |
1_555 |
16 |
6 |
11919 |
86.9 |
-2.2 |
0.531 |
1 |
0 |
0 |
0.010 |
24 |
56 |
|
[SCN]D:251 |
3 |
1 |
180 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
11753 |
86.6 |
-2.3 |
0.529 |
1 |
0 |
0 |
0.011 |
25 |
57 |
|
[SCN]G:251 |
3 |
1 |
177 |
f |
G |
x,y,z |
1_555 |
15 |
6 |
12180 |
86.5 |
-2.3 |
0.526 |
1 |
0 |
0 |
0.011 |
26 |
58 |
|
[SCN]F:251 |
3 |
1 |
178 |
f |
F |
x,y,z |
1_555 |
16 |
6 |
11862 |
86.4 |
-2.3 |
0.518 |
1 |
0 |
0 |
0.011 |
27 |
59 |
|
[SCN]A:251 |
3 |
1 |
179 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11809 |
86.2 |
-2.3 |
0.522 |
1 |
0 |
0 |
0.011 |
28 |
60 |
|
J |
10 |
5 |
11919 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
3 |
12172 |
85.6 |
0.3 |
0.735 |
0 |
0 |
0 |
0.000 |
29 |
61 |
|
[GOL]C:253 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
11942 |
84.8 |
-0.9 |
0.426 |
1 |
0 |
0 |
0.005 |
62 |
|
[GOL]H:253 |
6 |
1 |
222 |
f |
J |
x,y,z |
1_555 |
12 |
4 |
11919 |
80.7 |
-0.8 |
0.432 |
1 |
0 |
0 |
0.005 |
Average: |
82.8 |
-0.8 |
0.429 |
1 |
0 |
0 |
0.005 |
30 |
63 |
|
[GOL]I:253 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
11 |
3 |
12180 |
78.8 |
-0.7 |
0.465 |
1 |
0 |
0 |
0.004 |
31 |
64 |
|
[GOL]D:253 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
11753 |
77.9 |
-0.9 |
0.441 |
1 |
0 |
0 |
0.005 |
32 |
65 |
|
I |
5 |
3 |
11965 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
11809 |
71.6 |
-0.8 |
0.257 |
0 |
0 |
0 |
0.000 |
33 |
66 |
|
E |
7 |
6 |
11942 |
◊ |
I |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
11965 |
68.3 |
-0.0 |
0.496 |
0 |
0 |
0 |
0.000 |
34 |
67 |
|
[SCN]C:251 |
3 |
1 |
178 |
f |
[HEM]C:250 |
x,y,z |
1_555 |
18 |
1 |
827 |
50.5 |
-1.0 |
0.861 |
0 |
0 |
0 |
0.004 |
35 |
68 |
|
[SCN]A:251 |
3 |
1 |
179 |
f |
[HEM]A:250 |
x,y,z |
1_555 |
18 |
1 |
815 |
48.9 |
-1.0 |
0.861 |
0 |
0 |
0 |
0.004 |
36 |
69 |
|
[SCN]J:251 |
3 |
1 |
179 |
f |
[HEM]J:250 |
x,y,z |
1_555 |
19 |
1 |
812 |
48.7 |
-1.0 |
0.861 |
0 |
0 |
0 |
0.004 |
37 |
70 |
|
[SCN]E:251 |
3 |
1 |
182 |
f |
[HEM]E:250 |
x,y,z |
1_555 |
17 |
1 |
822 |
48.5 |
-1.0 |
0.861 |
0 |
0 |
0 |
0.004 |
71 |
|
[SCN]I:251 |
3 |
1 |
179 |
f |
[HEM]I:250 |
x,y,z |
1_555 |
19 |
1 |
816 |
48.1 |
-1.0 |
0.861 |
0 |
0 |
0 |
0.004 |
Average: |
48.3 |
-1.0 |
0.861 |
0 |
0 |
0 |
0.004 |
38 |
72 |
|
[SCN]F:251 |
3 |
1 |
178 |
f |
[HEM]F:250 |
x,y,z |
1_555 |
18 |
1 |
819 |
48.3 |
-1.0 |
0.861 |
0 |
0 |
0 |
0.004 |
39 |
73 |
|
[SCN]H:251 |
3 |
1 |
178 |
f |
[HEM]H:250 |
x,y,z |
1_555 |
20 |
1 |
815 |
48.1 |
-0.9 |
0.861 |
0 |
0 |
0 |
0.004 |
74 |
|
[SCN]B:251 |
3 |
1 |
179 |
f |
[HEM]B:250 |
x,y,z |
1_555 |
20 |
1 |
825 |
47.6 |
-0.9 |
0.861 |
0 |
0 |
0 |
0.004 |
Average: |
47.8 |
-0.9 |
0.861 |
0 |
0 |
0 |
0.004 |
40 |
75 |
|
[SCN]G:251 |
3 |
1 |
177 |
f |
[HEM]G:250 |
x,y,z |
1_555 |
20 |
1 |
822 |
47.8 |
-1.0 |
0.861 |
0 |
0 |
0 |
0.004 |
41 |
76 |
|
[SCN]D:251 |
3 |
1 |
180 |
f |
[HEM]D:250 |
x,y,z |
1_555 |
18 |
1 |
816 |
47.4 |
-0.9 |
0.861 |
0 |
0 |
0 |
0.004 |
42 |
77 |
|
D |
7 |
3 |
11753 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
5 |
2 |
12172 |
42.1 |
0.0 |
0.625 |
0 |
1 |
0 |
0.000 |
43 |
78 |
|
I |
4 |
2 |
11965 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
12180 |
41.0 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
44 |
79 |
|
C |
1 |
1 |
11899 |
◊ |
I |
x,y,z-1 |
1_554 |
1 |
1 |
11965 |
1.1 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
|