## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
311 |
78 |
13949 |
◊ |
A |
x,y,z |
1_555 |
323 |
79 |
13821 |
2970.5 |
-51.2 |
0.880 |
17 |
1 |
0 |
0.299 |
2 |
|
A |
171 |
42 |
13821 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
169 |
42 |
13821 |
1564.9 |
-20.5 |
0.947 |
3 |
12 |
0 |
0.095 |
3 |
|
C |
119 |
33 |
17246 |
◊ |
B |
x,y,z |
1_555 |
113 |
33 |
13949 |
1049.3 |
-16.1 |
0.495 |
6 |
3 |
0 |
0.197 |
4 |
|
G |
85 |
23 |
3576 |
◊ |
A |
x,y,z |
1_555 |
70 |
19 |
13821 |
703.9 |
-15.0 |
0.391 |
0 |
0 |
0 |
0.121 |
5 |
|
G |
71 |
21 |
3576 |
◊ |
B |
x,y,z |
1_555 |
77 |
24 |
13949 |
697.3 |
-12.8 |
0.712 |
1 |
0 |
0 |
0.338 |
6 |
|
H |
74 |
18 |
2851 |
◊ |
C |
x,y,z |
1_555 |
70 |
20 |
17246 |
633.1 |
-11.0 |
0.303 |
3 |
0 |
0 |
0.141 |
7 |
|
[CLA]B:201 |
59 |
1 |
1258 |
f |
B |
x,y,z |
1_555 |
63 |
24 |
13949 |
624.2 |
-12.9 |
0.572 |
0 |
0 |
0 |
0.329 |
8 |
|
[HEM]C:301 |
43 |
1 |
830 |
f |
C |
x,y,z |
1_555 |
92 |
31 |
17246 |
610.6 |
-22.0 |
0.577 |
4 |
0 |
0 |
0.508 |
9 |
|
[HEM]A:301 |
43 |
1 |
789 |
f |
A |
x,y,z |
1_555 |
86 |
27 |
13821 |
574.4 |
-22.6 |
0.666 |
2 |
0 |
0 |
0.190 |
10 |
|
D |
61 |
16 |
3907 |
◊ |
C |
x,y,z |
1_555 |
54 |
15 |
17246 |
556.1 |
-12.4 |
0.198 |
1 |
0 |
0 |
0.147 |
11 |
|
[HEM]A:302 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
85 |
30 |
13821 |
550.6 |
-20.9 |
0.733 |
1 |
0 |
0 |
0.172 |
12 |
|
C |
70 |
17 |
17246 |
◊ |
B |
x-y,-y+1,-z |
8_565 |
52 |
12 |
13949 |
536.7 |
-4.1 |
0.710 |
0 |
0 |
0 |
0.000 |
13 |
|
H |
54 |
13 |
2851 |
◊ |
F |
x,y,z |
1_555 |
63 |
15 |
3064 |
480.0 |
-11.0 |
0.846 |
0 |
0 |
0 |
1.000 |
14 |
|
D |
42 |
9 |
3907 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
13821 |
442.8 |
-9.0 |
0.697 |
2 |
0 |
0 |
0.050 |
15 |
|
[OZ2]B:203 |
32 |
1 |
838 |
f |
B |
x,y,z |
1_555 |
55 |
19 |
13949 |
438.7 |
-5.9 |
0.645 |
3 |
0 |
0 |
0.185 |
16 |
|
H |
43 |
11 |
2851 |
◊ |
E |
x,y,z |
1_555 |
51 |
10 |
2767 |
405.1 |
-11.8 |
0.639 |
1 |
0 |
0 |
1.000 |
17 |
|
[HEM]A:303 |
41 |
1 |
786 |
f |
A |
x,y,z |
1_555 |
64 |
20 |
13821 |
402.3 |
-13.9 |
0.900 |
2 |
0 |
0 |
0.119 |
18 |
|
H |
55 |
13 |
2851 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
13949 |
366.1 |
-8.4 |
0.448 |
1 |
4 |
0 |
0.078 |
19 |
|
G |
47 |
12 |
3576 |
◊ |
F |
x,y,z |
1_555 |
42 |
12 |
3064 |
366.0 |
-9.9 |
0.605 |
1 |
0 |
0 |
0.101 |
20 |
|
[CLA]B:201 |
26 |
1 |
1258 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
13821 |
334.6 |
-5.2 |
0.482 |
0 |
0 |
0 |
0.027 |
21 |
|
C |
33 |
12 |
17246 |
◊ |
C |
-y,-x,-z-1/6 |
10_554 |
33 |
12 |
17246 |
288.9 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
22 |
|
F |
25 |
7 |
3064 |
◊ |
E |
x,y,z |
1_555 |
25 |
8 |
2767 |
281.7 |
-6.4 |
0.719 |
0 |
0 |
0 |
0.216 |
23 |
|
[OZ2]C:303 |
26 |
1 |
856 |
◊ |
C |
x,y,z |
1_555 |
40 |
8 |
17246 |
275.6 |
-0.5 |
0.511 |
0 |
0 |
0 |
0.005 |
24 |
|
[UMQ]A:306 |
21 |
1 |
767 |
f |
A |
x,y,z |
1_555 |
36 |
10 |
13821 |
275.0 |
-8.4 |
0.557 |
0 |
0 |
0 |
0.068 |
25 |
|
E |
30 |
7 |
2767 |
◊ |
C |
x,y,z |
1_555 |
27 |
10 |
17246 |
270.9 |
-9.1 |
0.075 |
0 |
0 |
0 |
0.195 |
26 |
|
[OZ2]G:102 |
30 |
1 |
1162 |
◊ |
F |
x,y,z |
1_555 |
28 |
8 |
3064 |
263.0 |
0.7 |
0.806 |
0 |
0 |
0 |
0.000 |
27 |
|
[MYS]A:304 |
15 |
1 |
474 |
◊ |
A |
x,y,z |
1_555 |
33 |
14 |
13821 |
261.0 |
1.3 |
0.324 |
0 |
0 |
0 |
0.000 |
28 |
|
[OZ2]G:102 |
25 |
1 |
1162 |
◊ |
H |
x,y,z |
1_555 |
27 |
6 |
2851 |
241.8 |
-1.3 |
0.673 |
0 |
0 |
0 |
0.014 |
29 |
|
[8K6]A:305 |
16 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
32 |
10 |
13821 |
240.4 |
-2.6 |
0.194 |
0 |
0 |
0 |
0.021 |
30 |
|
[UMQ]A:307 |
27 |
1 |
777 |
f |
A |
x,y,z |
1_555 |
26 |
7 |
13821 |
222.2 |
-3.0 |
0.792 |
1 |
0 |
0 |
0.028 |
31 |
|
[BCR]G:101 |
23 |
1 |
973 |
◊ |
G |
x,y,z |
1_555 |
27 |
8 |
3576 |
210.0 |
-2.1 |
0.684 |
0 |
0 |
0 |
0.017 |
32 |
|
[HEM]A:303 |
24 |
1 |
786 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
13949 |
196.2 |
-6.8 |
0.760 |
0 |
0 |
0 |
0.034 |
33 |
|
[UMQ]A:306 |
20 |
1 |
767 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
20 |
7 |
13821 |
195.0 |
-2.5 |
0.667 |
0 |
0 |
0 |
0.020 |
34 |
|
[BCR]G:101 |
19 |
1 |
973 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
13821 |
188.6 |
-4.7 |
0.162 |
0 |
0 |
0 |
0.038 |
35 |
|
[OZ2]C:303 |
19 |
1 |
856 |
◊ |
A |
x,y,z |
1_555 |
23 |
8 |
13821 |
175.8 |
-1.2 |
0.587 |
1 |
0 |
0 |
0.008 |
36 |
|
H |
18 |
5 |
2851 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
13821 |
175.7 |
-3.0 |
0.532 |
1 |
0 |
0 |
0.016 |
37 |
|
D |
15 |
7 |
3907 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
13949 |
166.9 |
-4.9 |
0.345 |
0 |
0 |
0 |
0.050 |
38 |
|
C |
22 |
8 |
17246 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
13821 |
163.6 |
-0.4 |
0.821 |
0 |
0 |
0 |
0.002 |
39 |
|
D |
15 |
5 |
3907 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
17 |
6 |
13821 |
150.9 |
-2.0 |
0.730 |
0 |
0 |
0 |
0.009 |
40 |
|
[8K6]A:305 |
10 |
1 |
589 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
18 |
5 |
13821 |
136.8 |
1.2 |
0.465 |
0 |
0 |
0 |
0.000 |
41 |
|
[BCR]G:101 |
17 |
1 |
973 |
◊ |
F |
x,y,z |
1_555 |
11 |
4 |
3064 |
132.2 |
-3.5 |
0.389 |
0 |
0 |
0 |
0.025 |
42 |
|
[OZ2]C:303 |
13 |
1 |
856 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
3907 |
129.0 |
0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
43 |
|
[BCR]G:101 |
16 |
1 |
973 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
2851 |
127.4 |
-0.8 |
0.706 |
0 |
0 |
0 |
0.004 |
44 |
|
[UMQ]A:308 |
15 |
1 |
781 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
13821 |
125.2 |
-4.1 |
0.560 |
0 |
0 |
0 |
0.033 |
45 |
|
[1E2]D:201 |
11 |
1 |
511 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
3907 |
124.4 |
2.2 |
0.718 |
0 |
0 |
0 |
0.000 |
46 |
|
[OZ2]B:203 |
12 |
1 |
838 |
f |
[CLA]B:201 |
x,y,z |
1_555 |
22 |
1 |
1258 |
123.6 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
47 |
|
[OCT]F:101 |
8 |
1 |
316 |
◊ |
F |
x,y,z |
1_555 |
19 |
4 |
3064 |
121.3 |
3.2 |
0.930 |
0 |
0 |
0 |
0.000 |
48 |
|
B |
10 |
5 |
13949 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
17 |
6 |
13821 |
120.2 |
-0.6 |
0.799 |
1 |
0 |
0 |
0.005 |
49 |
|
[OZ2]G:102 |
12 |
1 |
1162 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
2767 |
119.2 |
-2.8 |
0.650 |
0 |
0 |
0 |
0.059 |
50 |
|
[UMQ]A:307 |
11 |
1 |
777 |
f |
[UMQ]A:308 |
x,y,z |
1_555 |
13 |
1 |
781 |
107.6 |
-2.7 |
0.620 |
0 |
0 |
0 |
0.022 |
51 |
|
[OZ2]G:102 |
9 |
1 |
1162 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13949 |
93.7 |
-2.4 |
0.354 |
0 |
0 |
0 |
0.024 |
52 |
|
[OZ2]G:102 |
11 |
1 |
1162 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
3576 |
92.7 |
0.2 |
0.304 |
0 |
0 |
0 |
0.000 |
53 |
|
[UMQ]A:308 |
14 |
1 |
781 |
◊ |
B |
x,y,z |
1_555 |
12 |
2 |
13949 |
87.7 |
-1.0 |
0.747 |
0 |
0 |
0 |
0.005 |
54 |
|
[1E2]D:201 |
13 |
1 |
511 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
13949 |
87.5 |
0.9 |
0.445 |
0 |
0 |
0 |
0.000 |
55 |
|
[HEM]A:303 |
22 |
1 |
786 |
f |
[HEM]A:302 |
x,y,z |
1_555 |
8 |
1 |
818 |
82.2 |
-3.5 |
0.923 |
0 |
0 |
0 |
0.028 |
56 |
|
[OZ2]G:102 |
10 |
1 |
1162 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
17246 |
81.0 |
-2.4 |
0.409 |
1 |
0 |
0 |
0.061 |
57 |
|
[1E2]D:201 |
7 |
1 |
511 |
f |
[UMQ]A:308 |
x,y,z |
1_555 |
9 |
1 |
781 |
79.1 |
0.0 |
0.395 |
1 |
0 |
0 |
0.003 |
58 |
|
[BCR]G:101 |
7 |
1 |
973 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
13949 |
76.9 |
0.8 |
0.774 |
0 |
0 |
0 |
0.000 |
59 |
|
F |
8 |
4 |
3064 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
17246 |
76.1 |
0.2 |
0.686 |
0 |
0 |
0 |
0.000 |
60 |
|
E |
7 |
3 |
2767 |
◊ |
D |
x,y,z |
1_555 |
10 |
4 |
3907 |
74.8 |
-1.9 |
0.702 |
0 |
1 |
0 |
0.024 |
61 |
|
C |
9 |
3 |
17246 |
◊ |
G |
x-y,-y+1,-z |
8_565 |
10 |
4 |
3576 |
74.3 |
-0.2 |
0.751 |
0 |
0 |
0 |
0.000 |
62 |
|
H |
9 |
4 |
2851 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
3576 |
70.0 |
-1.7 |
0.527 |
0 |
0 |
0 |
0.017 |
63 |
|
[OZ2]G:102 |
4 |
1 |
1162 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13821 |
68.3 |
-2.8 |
0.161 |
0 |
0 |
0 |
0.013 |
64 |
|
[OZ2]C:303 |
6 |
1 |
856 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
13949 |
65.7 |
-1.9 |
0.330 |
0 |
0 |
0 |
0.048 |
65 |
|
[1E2]D:201 |
8 |
1 |
511 |
◊ |
C |
x,y,z |
1_555 |
7 |
5 |
17246 |
57.4 |
0.6 |
0.440 |
2 |
0 |
0 |
0.001 |
66 |
|
[UMQ]A:308 |
5 |
1 |
781 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
17246 |
54.1 |
0.5 |
0.758 |
0 |
0 |
0 |
0.000 |
67 |
|
A |
6 |
3 |
13821 |
◊ |
C |
x-y+1,x+1,z+1/6 |
6_665 |
4 |
3 |
17246 |
52.8 |
0.9 |
0.911 |
0 |
1 |
0 |
0.000 |
68 |
|
[HEM]A:303 |
2 |
1 |
786 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
2851 |
49.1 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.001 |
69 |
|
[CD]C:302 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
7 |
4 |
17246 |
45.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.089 |
70 |
|
[CD]A:309 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
17246 |
41.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.088 |
71 |
|
[HEM]A:301 |
2 |
1 |
789 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
5 |
2 |
13821 |
40.1 |
-1.3 |
0.404 |
0 |
0 |
0 |
0.010 |
72 |
|
[OZ2]G:102 |
4 |
1 |
1162 |
◊ |
[BCR]G:101 |
x,y,z |
1_555 |
2 |
1 |
973 |
39.9 |
-1.3 |
0.370 |
0 |
0 |
0 |
0.006 |
73 |
|
[CD]A:309 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
13821 |
39.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.016 |
74 |
|
C |
5 |
2 |
17246 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
5 |
1 |
13821 |
39.4 |
0.4 |
0.828 |
0 |
1 |
0 |
0.000 |
75 |
|
[UMQ]A:307 |
3 |
1 |
777 |
◊ |
[UMQ]A:306 |
x,x-y+1,-z+1/6 |
12_565 |
6 |
1 |
767 |
37.7 |
-1.5 |
0.409 |
0 |
0 |
0 |
0.012 |
76 |
|
[HEM]A:301 |
4 |
1 |
789 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
13949 |
36.7 |
-1.0 |
0.750 |
0 |
0 |
0 |
0.005 |
77 |
|
[BCR]G:101 |
3 |
1 |
973 |
◊ |
[OCT]F:101 |
x,y,z |
1_555 |
3 |
1 |
316 |
34.8 |
0.6 |
0.641 |
0 |
0 |
0 |
0.000 |
78 |
|
G |
5 |
2 |
3576 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
17246 |
33.2 |
1.2 |
0.912 |
1 |
1 |
0 |
0.000 |
79 |
|
[CD]B:202 |
1 |
1 |
112 |
f |
G |
x,y,z |
1_555 |
9 |
3 |
3576 |
32.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.123 |
80 |
|
[CD]B:202 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17246 |
30.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.016 |
81 |
|
[OZ2]B:203 |
4 |
1 |
838 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
13821 |
25.4 |
0.2 |
0.668 |
0 |
0 |
0 |
0.000 |
82 |
|
[CLA]B:201 |
5 |
1 |
1258 |
◊ |
[MYS]A:304 |
x,y,z |
1_555 |
2 |
1 |
474 |
23.4 |
0.5 |
0.394 |
0 |
0 |
0 |
0.000 |
83 |
|
[MYS]A:304 |
2 |
1 |
474 |
f |
A |
x,x-y+1,-z+1/6 |
12_565 |
3 |
1 |
13821 |
23.1 |
0.4 |
0.470 |
0 |
0 |
0 |
0.000 |
84 |
|
[CD]B:202 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13949 |
22.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.046 |
85 |
|
[CD]B:202 |
1 |
1 |
112 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
3064 |
22.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.013 |
86 |
|
[8K6]A:305 |
1 |
1 |
589 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
3907 |
16.4 |
0.3 |
0.383 |
0 |
0 |
0 |
0.000 |
87 |
|
[HEM]A:302 |
1 |
1 |
818 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13949 |
14.4 |
-0.5 |
0.508 |
0 |
0 |
0 |
0.002 |
88 |
|
F |
4 |
3 |
3064 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
13949 |
12.7 |
0.3 |
0.911 |
0 |
0 |
0 |
0.000 |
89 |
|
[OCT]F:101 |
1 |
1 |
316 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
3576 |
12.5 |
0.5 |
0.924 |
0 |
0 |
0 |
0.000 |
90 |
|
[CLA]B:201 |
2 |
1 |
1258 |
◊ |
[HEM]A:302 |
x,y,z |
1_555 |
2 |
1 |
818 |
12.5 |
-0.4 |
0.699 |
0 |
0 |
0 |
0.002 |
91 |
|
[CD]C:302 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13949 |
12.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.011 |
92 |
|
[UMQ]A:307 |
2 |
1 |
777 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
1 |
1 |
13821 |
10.2 |
-1.0 |
0.296 |
0 |
0 |
0 |
0.008 |
93 |
|
[CD]B:202 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13821 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
94 |
|
[BCR]G:101 |
1 |
1 |
973 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17246 |
2.2 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
95 |
|
[UMQ]A:306 |
1 |
1 |
767 |
◊ |
[UMQ]A:306 |
x,x-y+1,-z+1/6 |
12_565 |
1 |
1 |
767 |
2.2 |
0.1 |
0.559 |
0 |
0 |
0 |
0.000 |
96 |
|
[1E2]D:201 |
1 |
1 |
511 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
13821 |
1.8 |
-0.0 |
0.448 |
0 |
0 |
0 |
0.000 |
97 |
|
[CD]B:202 |
1 |
1 |
112 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
2851 |
1.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|