| ## |
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 |
289 |
74 |
20133 |
◊ |
A |
x,y,z |
1_555 |
290 |
75 |
20048 |
2781.0 |
-34.5 |
0.020 |
37 |
9 |
0 |
0.480 |
| 2 |
2 |
|
A |
84 |
25 |
20048 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
86 |
26 |
20133 |
699.0 |
-2.5 |
0.621 |
4 |
5 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]A:1500 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
76 |
24 |
20048 |
546.3 |
-18.9 |
0.296 |
1 |
0 |
0 |
0.353 |
4 |
|
[HEM]B:2500 |
43 |
1 |
812 |
f |
B |
x,y,z |
1_555 |
78 |
24 |
20133 |
543.2 |
-18.8 |
0.280 |
1 |
0 |
0 |
0.353 |
| Average: |
544.8 |
-18.8 |
0.288 |
1 |
0 |
0 |
0.353 |
| 4 |
5 |
|
A |
46 |
15 |
20048 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
47 |
15 |
20048 |
378.1 |
-3.2 |
0.433 |
3 |
1 |
0 |
0.000 |
| 5 |
6 |
|
B |
22 |
8 |
20133 |
x |
B |
x-1,y,z |
1_455 |
22 |
6 |
20133 |
197.8 |
-1.4 |
0.468 |
1 |
2 |
0 |
0.000 |
| 6 |
7 |
|
[BHS]A:1610 |
16 |
1 |
401 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
20048 |
189.9 |
1.5 |
0.403 |
2 |
0 |
0 |
0.000 |
8 |
|
[BHS]B:2610 |
16 |
1 |
400 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
20133 |
186.6 |
1.6 |
0.403 |
2 |
0 |
0 |
0.000 |
| Average: |
188.2 |
1.5 |
0.403 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[ITU]B:2800 |
6 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
20133 |
127.0 |
1.4 |
0.472 |
3 |
0 |
0 |
0.004 |
10 |
|
[ITU]A:1800 |
6 |
1 |
251 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
20048 |
126.1 |
1.3 |
0.466 |
4 |
0 |
0 |
0.004 |
| Average: |
126.6 |
1.4 |
0.469 |
4 |
0 |
0 |
0.004 |
| 8 |
11 |
|
[BHS]A:1610 |
13 |
1 |
401 |
◊ |
B |
x,y,z |
1_555 |
25 |
6 |
20133 |
117.4 |
1.8 |
0.427 |
0 |
0 |
0 |
0.000 |
12 |
|
[BHS]B:2610 |
13 |
1 |
400 |
◊ |
A |
x,y,z |
1_555 |
24 |
6 |
20048 |
113.1 |
2.0 |
0.460 |
0 |
0 |
0 |
0.000 |
| Average: |
115.2 |
1.9 |
0.444 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[ACT]A:1860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
20048 |
113.3 |
-1.4 |
0.481 |
2 |
0 |
0 |
0.021 |
| 10 |
14 |
|
[ACT]B:2860 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
20133 |
112.4 |
-1.4 |
0.459 |
1 |
0 |
0 |
0.017 |
| 11 |
15 |
|
[GOL]A:1880 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
20048 |
97.2 |
1.0 |
0.781 |
4 |
0 |
0 |
0.007 |
| 12 |
16 |
|
[GOL]B:2880 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20133 |
91.9 |
1.2 |
0.778 |
3 |
0 |
0 |
0.001 |
| 13 |
17 |
|
[CAC]B:950 |
3 |
1 |
198 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20133 |
89.6 |
-1.8 |
0.131 |
0 |
0 |
0 |
0.016 |
| 14 |
18 |
|
[ACT]B:2850 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
20133 |
86.2 |
1.4 |
0.863 |
4 |
0 |
0 |
0.006 |
19 |
|
[ACT]A:1850 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
20048 |
86.0 |
1.5 |
0.869 |
4 |
0 |
0 |
0.006 |
| Average: |
86.1 |
1.5 |
0.866 |
4 |
0 |
0 |
0.006 |
| 15 |
20 |
|
[CAC]A:950 |
3 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
20048 |
82.6 |
-2.1 |
0.128 |
0 |
0 |
0 |
0.019 |
| 16 |
21 |
|
[ITU]A:1800 |
5 |
1 |
251 |
f |
[HEM]A:1500 |
x,y,z |
1_555 |
28 |
1 |
817 |
81.3 |
-1.0 |
0.495 |
0 |
0 |
0 |
0.009 |
| 17 |
22 |
|
[ITU]B:2800 |
6 |
1 |
255 |
f |
[HEM]B:2500 |
x,y,z |
1_555 |
26 |
1 |
812 |
80.9 |
-1.0 |
0.497 |
0 |
0 |
0 |
0.009 |
| 18 |
23 |
|
A |
13 |
6 |
20048 |
◊ |
[CAC]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
199 |
74.1 |
2.4 |
0.692 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[CAC]B:950 |
3 |
1 |
198 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
3 |
20133 |
72.4 |
1.1 |
0.306 |
0 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[GOL]B:2880 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
20048 |
61.3 |
-0.2 |
0.633 |
0 |
0 |
0 |
0.002 |
| 21 |
26 |
|
B |
6 |
2 |
20133 |
◊ |
A |
x-1,y,z |
1_455 |
10 |
4 |
20048 |
60.2 |
-0.4 |
0.536 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[GOL]A:1880 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
20133 |
53.2 |
-0.2 |
0.585 |
0 |
0 |
0 |
0.002 |
| 23 |
28 |
|
B |
8 |
3 |
20133 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
20048 |
49.9 |
-0.8 |
0.324 |
0 |
0 |
0 |
0.000 |
| 24 |
29 |
|
A |
7 |
4 |
20048 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
2 |
20133 |
44.4 |
-0.5 |
0.411 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[BHS]A:1610 |
5 |
1 |
401 |
f |
[HEM]A:1500 |
x,y,z |
1_555 |
5 |
1 |
817 |
43.2 |
-1.4 |
0.413 |
1 |
0 |
0 |
0.034 |
31 |
|
[BHS]B:2610 |
4 |
1 |
400 |
f |
[HEM]B:2500 |
x,y,z |
1_555 |
5 |
1 |
812 |
43.0 |
-1.4 |
0.428 |
1 |
0 |
0 |
0.034 |
| Average: |
43.1 |
-1.4 |
0.421 |
1 |
0 |
0 |
0.034 |
| 26 |
32 |
|
[GOL]B:2880 |
5 |
1 |
219 |
f |
[BHS]B:2610 |
x,y,z |
1_555 |
7 |
1 |
400 |
42.8 |
0.1 |
0.354 |
5 |
0 |
0 |
0.019 |
| 27 |
33 |
|
[HEM]B:2500 |
5 |
1 |
812 |
f |
[ACT]B:2860 |
x,y,z |
1_555 |
3 |
1 |
183 |
38.6 |
-1.2 |
0.750 |
0 |
0 |
0 |
0.011 |
| 28 |
34 |
|
[GOL]A:1880 |
4 |
1 |
217 |
f |
[BHS]A:1610 |
x,y,z |
1_555 |
4 |
1 |
401 |
36.0 |
-0.0 |
0.366 |
2 |
0 |
0 |
0.009 |
| 29 |
35 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20133 |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.272 |
36 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
20048 |
34.5 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.272 |
| Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.272 |
| 30 |
37 |
|
[HEM]A:1500 |
5 |
1 |
817 |
f |
[ACT]A:1860 |
x,y,z |
1_555 |
3 |
1 |
183 |
33.8 |
-0.9 |
0.813 |
0 |
0 |
0 |
0.009 |
| 31 |
38 |
|
[HEM]B:2500 |
2 |
1 |
812 |
f |
[ACT]B:2850 |
x,y,z |
1_555 |
1 |
1 |
183 |
16.3 |
-1.1 |
0.469 |
0 |
0 |
0 |
0.017 |
39 |
|
[HEM]A:1500 |
2 |
1 |
817 |
f |
[ACT]A:1850 |
x,y,z |
1_555 |
1 |
1 |
182 |
12.3 |
-0.7 |
0.500 |
0 |
0 |
0 |
0.017 |
| Average: |
14.3 |
-0.9 |
0.485 |
0 |
0 |
0 |
0.017 |
| 32 |
40 |
|
[GOL]A:1880 |
2 |
1 |
217 |
f |
[ACT]A:1850 |
x,y,z |
1_555 |
2 |
1 |
182 |
14.7 |
-0.3 |
0.565 |
0 |
0 |
0 |
0.003 |
| 33 |
41 |
|
[GOL]B:2880 |
1 |
1 |
219 |
f |
[ACT]B:2850 |
x,y,z |
1_555 |
1 |
1 |
183 |
2.1 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
|