| ## |
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 |
286 |
72 |
19837 |
◊ |
A |
x,y,z |
1_555 |
290 |
75 |
19721 |
2753.6 |
-35.9 |
0.015 |
34 |
10 |
0 |
0.515 |
| 2 |
2 |
|
A |
91 |
26 |
19721 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
90 |
27 |
19837 |
718.1 |
-2.7 |
0.646 |
6 |
4 |
0 |
0.000 |
| 3 |
3 |
|
[HEM]B:500 |
42 |
1 |
791 |
f |
B |
x,y,z |
1_555 |
78 |
23 |
19837 |
532.1 |
-18.6 |
0.270 |
2 |
0 |
0 |
0.382 |
4 |
|
[HEM]A:500 |
42 |
1 |
788 |
f |
A |
x,y,z |
1_555 |
76 |
23 |
19721 |
531.4 |
-18.6 |
0.268 |
2 |
0 |
0 |
0.382 |
| Average: |
531.8 |
-18.6 |
0.269 |
2 |
0 |
0 |
0.382 |
| 4 |
5 |
|
A |
57 |
19 |
19721 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
47 |
14 |
19721 |
414.3 |
-4.0 |
0.357 |
2 |
2 |
0 |
0.000 |
| 5 |
6 |
|
B |
33 |
11 |
19837 |
x |
B |
x-1,y,z |
1_455 |
29 |
8 |
19837 |
281.1 |
-1.6 |
0.469 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[INE]A:766 |
13 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
22 |
6 |
19837 |
149.1 |
3.0 |
0.238 |
2 |
0 |
0 |
0.000 |
8 |
|
[INE]B:765 |
13 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
21 |
6 |
19721 |
149.0 |
2.8 |
0.207 |
2 |
0 |
0 |
0.000 |
| Average: |
149.0 |
2.9 |
0.222 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
[INE]A:760 |
13 |
1 |
329 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
19721 |
147.0 |
1.3 |
0.083 |
3 |
0 |
0 |
0.002 |
10 |
|
[INE]B:761 |
13 |
1 |
329 |
f |
B |
x,y,z |
1_555 |
25 |
10 |
19837 |
145.2 |
1.2 |
0.080 |
3 |
0 |
0 |
0.002 |
| Average: |
146.1 |
1.2 |
0.082 |
3 |
0 |
0 |
0.002 |
| 8 |
11 |
|
[INE]B:765 |
13 |
1 |
326 |
◊ |
B |
x,y,z |
1_555 |
25 |
6 |
19837 |
118.5 |
1.3 |
0.097 |
2 |
0 |
0 |
0.000 |
12 |
|
[INE]A:766 |
13 |
1 |
327 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19721 |
116.7 |
1.2 |
0.089 |
1 |
0 |
0 |
0.000 |
| Average: |
117.6 |
1.2 |
0.093 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
B |
13 |
5 |
19837 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
5 |
19721 |
116.4 |
-0.4 |
0.576 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[INE]B:761 |
13 |
1 |
329 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
33 |
1 |
791 |
114.5 |
-0.0 |
0.162 |
0 |
0 |
0 |
0.000 |
15 |
|
[INE]A:760 |
13 |
1 |
329 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
32 |
1 |
788 |
112.8 |
0.1 |
0.145 |
0 |
0 |
0 |
0.000 |
| Average: |
113.6 |
0.0 |
0.154 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[ACT]A:860 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19721 |
114.1 |
-1.4 |
0.465 |
1 |
0 |
0 |
0.018 |
| 12 |
17 |
|
[ACT]B:861 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
19837 |
113.6 |
-1.5 |
0.449 |
1 |
0 |
0 |
0.019 |
| 13 |
18 |
|
[ACT]B:851 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
19837 |
105.3 |
-0.3 |
0.657 |
3 |
0 |
0 |
0.028 |
19 |
|
[ACT]A:850 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
19721 |
104.4 |
-0.3 |
0.648 |
2 |
0 |
0 |
0.028 |
| Average: |
104.8 |
-0.3 |
0.653 |
3 |
0 |
0 |
0.028 |
| 14 |
20 |
|
[GOL]A:880 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
19721 |
104.7 |
0.3 |
0.661 |
4 |
0 |
0 |
0.033 |
21 |
|
[GOL]B:881 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
19837 |
99.2 |
0.4 |
0.712 |
5 |
0 |
0 |
0.033 |
| Average: |
101.9 |
0.3 |
0.686 |
5 |
0 |
0 |
0.033 |
| 15 |
22 |
|
[CAD]B:951 |
3 |
1 |
201 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
19837 |
93.8 |
-0.9 |
0.172 |
0 |
0 |
0 |
0.009 |
| 16 |
23 |
|
[CAD]A:950 |
3 |
1 |
201 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
19721 |
82.6 |
-1.4 |
0.134 |
0 |
0 |
0 |
0.014 |
| 17 |
24 |
|
A |
14 |
6 |
19721 |
◊ |
[CAD]A:950 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
201 |
76.5 |
2.2 |
0.688 |
0 |
0 |
0 |
0.000 |
| 18 |
25 |
|
[CAD]B:951 |
3 |
1 |
201 |
◊ |
B |
x-1,y,z |
1_455 |
12 |
3 |
19837 |
71.2 |
0.7 |
0.317 |
0 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[GOL]B:881 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
15 |
3 |
19721 |
65.2 |
-0.5 |
0.581 |
0 |
0 |
0 |
0.004 |
| 20 |
27 |
|
[GOL]A:880 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
13 |
2 |
19837 |
56.7 |
-0.4 |
0.503 |
0 |
0 |
0 |
0.004 |
| 21 |
28 |
|
A |
8 |
4 |
19721 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
19837 |
56.5 |
-0.6 |
0.433 |
0 |
0 |
0 |
0.000 |
| 22 |
29 |
|
B |
8 |
3 |
19837 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
19721 |
50.5 |
-0.3 |
0.380 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[HEM]B:500 |
5 |
1 |
791 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
3 |
1 |
183 |
37.7 |
-1.2 |
0.749 |
0 |
0 |
0 |
0.011 |
| 24 |
31 |
|
[HEM]A:500 |
5 |
1 |
788 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
3 |
1 |
184 |
36.6 |
-1.1 |
0.751 |
0 |
0 |
0 |
0.011 |
| 25 |
32 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19721 |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.285 |
33 |
|
[ZN]A:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19837 |
34.2 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.285 |
| Average: |
34.4 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.285 |
| 26 |
34 |
|
[GOL]B:881 |
2 |
1 |
217 |
f |
[INE]A:766 |
x,y,z |
1_555 |
4 |
1 |
327 |
33.3 |
0.3 |
0.082 |
0 |
0 |
0 |
0.000 |
| 27 |
35 |
|
[INE]A:760 |
8 |
1 |
329 |
f |
[ACT]A:850 |
x,y,z |
1_555 |
3 |
1 |
183 |
32.5 |
0.2 |
0.050 |
0 |
0 |
0 |
0.000 |
36 |
|
[INE]B:761 |
8 |
1 |
329 |
f |
[ACT]B:851 |
x,y,z |
1_555 |
3 |
1 |
182 |
30.7 |
0.2 |
0.039 |
0 |
0 |
0 |
0.000 |
| Average: |
31.6 |
0.2 |
0.045 |
0 |
0 |
0 |
0.000 |
| 28 |
37 |
|
[GOL]A:880 |
4 |
1 |
219 |
f |
[INE]B:765 |
x,y,z |
1_555 |
3 |
1 |
326 |
32.4 |
0.4 |
0.163 |
0 |
0 |
0 |
0.000 |
| 29 |
38 |
|
[HEM]B:500 |
1 |
1 |
791 |
f |
[ACT]B:851 |
x,y,z |
1_555 |
2 |
1 |
182 |
9.2 |
-0.5 |
0.438 |
0 |
0 |
0 |
0.007 |
39 |
|
[HEM]A:500 |
1 |
1 |
788 |
f |
[ACT]A:850 |
x,y,z |
1_555 |
2 |
1 |
183 |
4.2 |
-0.2 |
0.560 |
0 |
0 |
0 |
0.007 |
| Average: |
6.7 |
-0.4 |
0.499 |
0 |
0 |
0 |
0.007 |
| 30 |
40 |
|
[INE]A:766 |
1 |
1 |
327 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
3 |
1 |
791 |
8.9 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.003 |
41 |
|
[INE]B:765 |
1 |
1 |
326 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
3 |
1 |
788 |
8.3 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.003 |
| Average: |
8.6 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.003 |
| 31 |
42 |
|
A |
1 |
1 |
19721 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
19721 |
0.6 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|