## |
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 |
|
F |
260 |
73 |
16767 |
◊ |
D |
x-1,y,z+1 |
1_456 |
255 |
74 |
16865 |
2348.8 |
-18.6 |
0.171 |
36 |
12 |
0 |
0.448 |
2 |
|
A |
255 |
69 |
17102 |
◊ |
E |
x-1,y,z |
1_455 |
250 |
70 |
16693 |
2266.7 |
-16.8 |
0.250 |
37 |
12 |
0 |
0.448 |
3 |
|
C |
252 |
73 |
16876 |
◊ |
B |
x,y,z |
1_555 |
247 |
70 |
17009 |
2231.0 |
-15.1 |
0.333 |
37 |
12 |
0 |
0.448 |
Average: |
2282.2 |
-16.8 |
0.251 |
37 |
12 |
0 |
0.448 |
2 |
4 |
|
[HEM]A:401 |
43 |
1 |
798 |
f |
A |
x,y,z |
1_555 |
81 |
30 |
17102 |
615.7 |
-21.1 |
0.349 |
5 |
0 |
0 |
0.590 |
5 |
|
[HEM]B:401 |
43 |
1 |
796 |
f |
B |
x,y,z |
1_555 |
85 |
30 |
17009 |
612.9 |
-21.1 |
0.387 |
5 |
0 |
0 |
0.590 |
6 |
|
[HEM]C:401 |
43 |
1 |
806 |
f |
C |
x,y,z |
1_555 |
81 |
31 |
16876 |
612.3 |
-21.0 |
0.367 |
5 |
0 |
0 |
0.590 |
7 |
|
[HEM]D:401 |
43 |
1 |
804 |
f |
D |
x,y,z |
1_555 |
84 |
31 |
16865 |
609.4 |
-21.0 |
0.356 |
5 |
0 |
0 |
0.590 |
8 |
|
[HEM]F:401 |
43 |
1 |
803 |
f |
F |
x,y,z |
1_555 |
82 |
30 |
16767 |
608.1 |
-21.1 |
0.361 |
5 |
0 |
0 |
0.590 |
9 |
|
[HEM]E:401 |
43 |
1 |
804 |
f |
E |
x,y,z |
1_555 |
83 |
30 |
16693 |
597.8 |
-20.6 |
0.369 |
5 |
0 |
0 |
0.590 |
Average: |
609.4 |
-21.0 |
0.365 |
5 |
0 |
0 |
0.590 |
3 |
10 |
|
B |
60 |
17 |
17009 |
◊ |
E |
x-1,y,z |
1_455 |
71 |
23 |
16693 |
573.5 |
-3.2 |
0.357 |
7 |
3 |
0 |
0.000 |
11 |
|
A |
55 |
19 |
17102 |
◊ |
D |
x-1,y-1,z |
1_445 |
44 |
12 |
16865 |
459.8 |
-2.3 |
0.460 |
5 |
6 |
0 |
0.000 |
12 |
|
F |
41 |
10 |
16767 |
◊ |
B |
x-1,y,z |
1_455 |
57 |
18 |
17009 |
433.3 |
-2.5 |
0.470 |
5 |
5 |
0 |
0.000 |
Average: |
488.8 |
-2.7 |
0.429 |
6 |
5 |
0 |
0.000 |
4 |
13 |
|
B |
44 |
11 |
17009 |
◊ |
A |
x,y,z |
1_555 |
42 |
8 |
17102 |
393.1 |
-3.3 |
0.355 |
5 |
1 |
0 |
0.000 |
5 |
14 |
|
F |
49 |
13 |
16767 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
8 |
16876 |
364.6 |
-2.3 |
0.405 |
2 |
0 |
0 |
0.000 |
15 |
|
E |
27 |
5 |
16693 |
◊ |
D |
x,y-1,z |
1_545 |
35 |
9 |
16865 |
260.0 |
-2.2 |
0.403 |
3 |
0 |
0 |
0.000 |
Average: |
312.3 |
-2.2 |
0.404 |
3 |
0 |
0 |
0.000 |
6 |
16 |
|
F |
32 |
14 |
16767 |
◊ |
C |
x,y,z |
1_555 |
29 |
10 |
16876 |
278.7 |
2.1 |
0.824 |
5 |
2 |
0 |
0.000 |
7 |
17 |
|
[EPE]D:404 |
15 |
1 |
390 |
f |
D |
x,y,z |
1_555 |
37 |
15 |
16865 |
232.2 |
5.7 |
0.161 |
3 |
0 |
0 |
0.000 |
8 |
18 |
|
[EPE]A:403 |
14 |
1 |
393 |
f |
A |
x,y,z |
1_555 |
30 |
14 |
17102 |
229.7 |
6.8 |
0.117 |
2 |
0 |
0 |
0.000 |
9 |
19 |
|
E |
34 |
12 |
16693 |
◊ |
B |
x,y,z |
1_555 |
29 |
13 |
17009 |
225.7 |
0.3 |
0.702 |
2 |
1 |
0 |
0.000 |
20 |
|
A |
30 |
13 |
17102 |
◊ |
C |
x,y-1,z |
1_545 |
27 |
13 |
16876 |
219.9 |
0.6 |
0.706 |
2 |
1 |
0 |
0.000 |
21 |
|
A |
25 |
12 |
17102 |
◊ |
D |
x,y-1,z |
1_545 |
28 |
13 |
16865 |
197.7 |
1.4 |
0.784 |
3 |
1 |
0 |
0.000 |
Average: |
214.5 |
0.8 |
0.731 |
2 |
1 |
0 |
0.000 |
10 |
22 |
|
[EPE]F:403 |
13 |
1 |
404 |
◊ |
F |
x,y,z |
1_555 |
21 |
6 |
16767 |
173.4 |
5.9 |
0.153 |
2 |
0 |
0 |
0.000 |
11 |
23 |
|
[EPE]D:403 |
14 |
1 |
399 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
16865 |
172.0 |
5.5 |
0.096 |
3 |
0 |
0 |
0.000 |
12 |
24 |
|
[EPE]C:403 |
14 |
1 |
390 |
◊ |
C |
x,y,z |
1_555 |
23 |
6 |
16876 |
167.0 |
5.6 |
0.057 |
1 |
0 |
0 |
0.000 |
13 |
25 |
|
D |
17 |
7 |
16865 |
◊ |
C |
x,y,z |
1_555 |
21 |
7 |
16876 |
149.0 |
1.6 |
0.807 |
3 |
2 |
0 |
0.000 |
14 |
26 |
|
[GOL]E:404 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
23 |
12 |
16693 |
135.8 |
-0.6 |
0.500 |
2 |
0 |
0 |
0.019 |
15 |
27 |
|
[MPD]B:404 |
7 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
16876 |
128.6 |
-8.4 |
0.590 |
2 |
0 |
0 |
0.072 |
16 |
28 |
|
[GOL]C:404 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
20 |
7 |
16876 |
121.9 |
-0.0 |
0.606 |
3 |
0 |
0 |
0.010 |
17 |
29 |
|
[MPD]C:406 |
7 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
17009 |
118.3 |
-7.7 |
0.549 |
0 |
0 |
0 |
0.059 |
18 |
30 |
|
F |
14 |
6 |
16767 |
f |
[MPD]D:405 |
x-1,y,z+1 |
1_456 |
7 |
1 |
274 |
116.6 |
-7.6 |
0.551 |
2 |
0 |
0 |
0.085 |
19 |
31 |
|
[GOL]A:405 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
17102 |
114.4 |
-0.2 |
0.630 |
3 |
0 |
0 |
0.020 |
20 |
32 |
|
[MPD]D:405 |
7 |
1 |
274 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
16865 |
111.2 |
-7.4 |
0.506 |
1 |
0 |
0 |
0.079 |
21 |
33 |
|
[MPD]C:406 |
6 |
1 |
276 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
16876 |
109.8 |
-7.4 |
0.544 |
1 |
0 |
0 |
0.061 |
22 |
34 |
|
[MPD]B:404 |
7 |
1 |
279 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
17009 |
100.6 |
-6.9 |
0.560 |
0 |
0 |
0 |
0.053 |
23 |
35 |
|
[GOL]A:406 |
6 |
1 |
219 |
f |
E |
x-1,y,z |
1_455 |
16 |
7 |
16693 |
96.1 |
-0.7 |
0.460 |
1 |
0 |
0 |
0.015 |
24 |
36 |
|
[GOL]A:406 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
17102 |
85.3 |
-0.8 |
0.416 |
0 |
0 |
0 |
0.011 |
25 |
37 |
|
[GOL]A:404 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
17102 |
81.3 |
0.2 |
0.622 |
2 |
0 |
0 |
0.009 |
26 |
38 |
|
[GOL]E:403 |
5 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
14 |
4 |
16693 |
77.2 |
0.2 |
0.664 |
1 |
0 |
0 |
0.003 |
27 |
39 |
|
[PO4]C:405 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
16876 |
67.0 |
-3.8 |
0.805 |
2 |
0 |
0 |
0.036 |
28 |
40 |
|
[OXY]A:402 |
2 |
1 |
121 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17102 |
58.8 |
1.3 |
0.868 |
1 |
0 |
0 |
0.000 |
29 |
41 |
|
[OXY]D:402 |
2 |
1 |
121 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
16865 |
58.8 |
1.3 |
0.884 |
1 |
0 |
0 |
0.000 |
30 |
42 |
|
[OXY]C:402 |
2 |
1 |
120 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
16876 |
58.8 |
1.3 |
0.882 |
1 |
0 |
0 |
0.000 |
31 |
43 |
|
[OXY]F:402 |
2 |
1 |
120 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
16767 |
58.7 |
1.2 |
0.862 |
1 |
0 |
0 |
0.000 |
32 |
44 |
|
[OXY]B:402 |
2 |
1 |
120 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
17009 |
58.6 |
1.3 |
0.891 |
1 |
0 |
0 |
0.000 |
33 |
45 |
|
[OXY]E:402 |
2 |
1 |
120 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
16693 |
57.2 |
1.3 |
0.887 |
1 |
0 |
0 |
0.000 |
34 |
46 |
|
A |
10 |
6 |
17102 |
◊ |
F |
x,y-1,z-1 |
1_544 |
10 |
5 |
16767 |
54.0 |
0.5 |
0.690 |
0 |
0 |
0 |
0.000 |
47 |
|
C |
7 |
4 |
16876 |
◊ |
E |
x-1,y,z |
1_455 |
5 |
4 |
16693 |
51.9 |
0.9 |
0.808 |
0 |
0 |
0 |
0.000 |
Average: |
52.9 |
0.7 |
0.749 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
16876 |
49.5 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.050 |
36 |
49 |
|
[EPE]C:403 |
7 |
1 |
390 |
f |
E |
x-1,y,z |
1_455 |
3 |
2 |
16693 |
48.4 |
1.6 |
0.040 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
[NA]B:403 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
17009 |
47.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.050 |
38 |
51 |
|
D |
8 |
4 |
16865 |
◊ |
B |
x,y,z-1 |
1_554 |
8 |
5 |
17009 |
46.8 |
0.4 |
0.684 |
0 |
0 |
0 |
0.000 |
39 |
52 |
|
[CL]D:406 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
16865 |
42.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.051 |
40 |
53 |
|
[OXY]D:402 |
2 |
1 |
121 |
f |
[HEM]D:401 |
x,y,z |
1_555 |
19 |
1 |
804 |
38.1 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.006 |
41 |
54 |
|
[OXY]C:402 |
2 |
1 |
120 |
f |
[HEM]C:401 |
x,y,z |
1_555 |
17 |
1 |
806 |
38.0 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.004 |
42 |
55 |
|
[OXY]E:402 |
2 |
1 |
120 |
f |
[HEM]E:401 |
x,y,z |
1_555 |
17 |
1 |
804 |
37.2 |
-0.5 |
1.000 |
0 |
0 |
0 |
0.006 |
43 |
56 |
|
[GOL]E:404 |
4 |
1 |
218 |
f |
[HEM]E:401 |
x,y,z |
1_555 |
8 |
1 |
804 |
36.8 |
-0.1 |
0.829 |
0 |
0 |
0 |
0.002 |
44 |
57 |
|
[OXY]A:402 |
2 |
1 |
121 |
f |
[HEM]A:401 |
x,y,z |
1_555 |
19 |
1 |
798 |
36.3 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.007 |
45 |
58 |
|
[OXY]B:402 |
2 |
1 |
120 |
f |
[HEM]B:401 |
x,y,z |
1_555 |
18 |
1 |
796 |
36.2 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.004 |
46 |
59 |
|
[OXY]F:402 |
2 |
1 |
120 |
f |
[HEM]F:401 |
x,y,z |
1_555 |
18 |
1 |
803 |
35.5 |
-0.6 |
1.000 |
0 |
0 |
0 |
0.006 |
47 |
60 |
|
A |
3 |
2 |
17102 |
f |
[EPE]F:403 |
x,y-1,z-1 |
1_544 |
9 |
1 |
404 |
29.5 |
1.0 |
0.012 |
0 |
0 |
0 |
0.000 |
48 |
61 |
|
A |
4 |
1 |
17102 |
◊ |
[CL]C:407 |
x,y-1,z |
1_545 |
1 |
1 |
125 |
28.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
|
[CL]C:407 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
16876 |
27.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[CL]C:407 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
16865 |
25.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
27.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
64 |
|
[EPE]D:403 |
6 |
1 |
399 |
f |
B |
x,y,z-1 |
1_554 |
1 |
1 |
17009 |
18.3 |
0.6 |
0.028 |
0 |
0 |
0 |
0.000 |
50 |
65 |
|
[EPE]D:404 |
1 |
1 |
390 |
f |
[HEM]D:401 |
x,y,z |
1_555 |
1 |
1 |
804 |
4.9 |
-0.2 |
0.281 |
0 |
0 |
0 |
0.002 |
51 |
66 |
|
[EPE]A:403 |
2 |
1 |
393 |
f |
[HEM]A:401 |
x,y,z |
1_555 |
1 |
1 |
798 |
3.0 |
-0.1 |
0.102 |
0 |
0 |
0 |
0.002 |
|