## |
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 |
298 |
72 |
19749 |
◊ |
A |
x,y,z |
1_555 |
283 |
74 |
19571 |
2747.2 |
-36.9 |
0.016 |
32 |
9 |
0 |
0.472 |
2 |
2 |
|
A |
92 |
26 |
19571 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
91 |
27 |
19749 |
743.9 |
0.2 |
0.802 |
7 |
6 |
0 |
0.000 |
3 |
3 |
|
[HEM]A:500 |
43 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
80 |
25 |
19571 |
528.1 |
-18.5 |
0.287 |
1 |
0 |
0 |
0.342 |
4 |
|
[HEM]B:500 |
43 |
1 |
817 |
f |
B |
x,y,z |
1_555 |
79 |
24 |
19749 |
524.4 |
-18.5 |
0.283 |
1 |
0 |
0 |
0.342 |
Average: |
526.2 |
-18.5 |
0.285 |
1 |
0 |
0 |
0.342 |
4 |
5 |
|
A |
53 |
17 |
19571 |
x |
A |
-x,y-1/2,-z+1/2 |
3_545 |
50 |
16 |
19571 |
418.2 |
-2.3 |
0.543 |
4 |
1 |
0 |
0.000 |
5 |
6 |
|
[DP1]A:790 |
20 |
1 |
558 |
f |
A |
x,y,z |
1_555 |
45 |
19 |
19571 |
321.6 |
2.6 |
0.537 |
7 |
0 |
0 |
0.007 |
7 |
|
[DP1]B:791 |
20 |
1 |
554 |
f |
B |
x,y,z |
1_555 |
42 |
19 |
19749 |
305.2 |
2.4 |
0.532 |
6 |
0 |
0 |
0.007 |
Average: |
313.4 |
2.5 |
0.535 |
7 |
0 |
0 |
0.007 |
6 |
8 |
|
B |
31 |
11 |
19749 |
x |
B |
x-1,y,z |
1_455 |
24 |
7 |
19749 |
242.2 |
-2.2 |
0.399 |
1 |
1 |
0 |
0.000 |
7 |
9 |
|
[H4B]B:761 |
17 |
1 |
398 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
19749 |
182.6 |
2.5 |
0.521 |
2 |
0 |
0 |
0.000 |
10 |
|
[H4B]A:760 |
17 |
1 |
399 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
19571 |
178.0 |
2.4 |
0.506 |
2 |
0 |
0 |
0.000 |
Average: |
180.3 |
2.5 |
0.513 |
2 |
0 |
0 |
0.000 |
8 |
11 |
|
[DP1]A:790 |
16 |
1 |
558 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
32 |
1 |
819 |
141.2 |
-3.3 |
0.386 |
1 |
0 |
0 |
0.060 |
12 |
|
[DP1]B:791 |
16 |
1 |
554 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
30 |
1 |
817 |
137.3 |
-3.0 |
0.474 |
0 |
0 |
0 |
0.060 |
Average: |
139.2 |
-3.1 |
0.430 |
1 |
0 |
0 |
0.060 |
9 |
13 |
|
[H4B]A:760 |
13 |
1 |
399 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
19749 |
113.4 |
-0.1 |
0.269 |
1 |
0 |
0 |
0.011 |
14 |
|
[H4B]B:761 |
13 |
1 |
398 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
19571 |
109.5 |
-0.3 |
0.271 |
1 |
0 |
0 |
0.011 |
Average: |
111.5 |
-0.2 |
0.270 |
1 |
0 |
0 |
0.011 |
10 |
15 |
|
[ACT]B:861 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
19749 |
112.5 |
-1.4 |
0.489 |
2 |
0 |
0 |
0.021 |
11 |
16 |
|
[ACT]A:860 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
19571 |
111.4 |
-1.3 |
0.505 |
2 |
0 |
0 |
0.020 |
12 |
17 |
|
[CAC]B:851 |
3 |
1 |
199 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
19749 |
94.8 |
0.7 |
0.302 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[CAC]A:850 |
3 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
19571 |
89.1 |
-0.8 |
0.157 |
0 |
0 |
0 |
0.007 |
14 |
19 |
|
[GOL]B:881 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
19749 |
84.0 |
0.4 |
0.619 |
1 |
0 |
0 |
0.000 |
15 |
20 |
|
[GOL]A:880 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
19571 |
83.8 |
-0.1 |
0.661 |
4 |
0 |
0 |
0.017 |
16 |
21 |
|
A |
12 |
6 |
19571 |
◊ |
[CAC]A:850 |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
198 |
66.0 |
1.9 |
0.424 |
0 |
0 |
0 |
0.000 |
17 |
22 |
|
[CAC]B:851 |
3 |
1 |
199 |
f |
B |
x-1,y,z |
1_455 |
13 |
4 |
19749 |
65.7 |
0.1 |
0.388 |
0 |
0 |
0 |
0.000 |
18 |
23 |
|
[GOL]A:880 |
5 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
19749 |
64.4 |
0.3 |
0.765 |
0 |
0 |
0 |
0.000 |
19 |
24 |
|
[GOL]B:881 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
16 |
3 |
19571 |
59.8 |
-0.3 |
0.535 |
0 |
0 |
0 |
0.003 |
20 |
25 |
|
A |
8 |
4 |
19571 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
5 |
2 |
19749 |
49.4 |
-0.6 |
0.439 |
0 |
0 |
0 |
0.000 |
21 |
26 |
|
[GOL]A:880 |
5 |
1 |
217 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
8 |
1 |
399 |
43.3 |
0.1 |
0.297 |
2 |
0 |
0 |
0.007 |
22 |
27 |
|
[H4B]B:761 |
4 |
1 |
398 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
5 |
1 |
817 |
41.5 |
-1.3 |
0.447 |
2 |
0 |
0 |
0.036 |
28 |
|
[H4B]A:760 |
5 |
1 |
399 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
5 |
1 |
819 |
41.4 |
-1.4 |
0.419 |
1 |
0 |
0 |
0.036 |
Average: |
41.4 |
-1.3 |
0.433 |
2 |
0 |
0 |
0.036 |
23 |
29 |
|
[GOL]B:881 |
5 |
1 |
220 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
6 |
1 |
398 |
39.1 |
-0.4 |
0.242 |
2 |
0 |
0 |
0.011 |
24 |
30 |
|
[HEM]B:500 |
5 |
1 |
817 |
f |
[ACT]B:861 |
x,y,z |
1_555 |
2 |
1 |
184 |
37.1 |
-1.1 |
0.689 |
0 |
0 |
0 |
0.010 |
25 |
31 |
|
[HEM]A:500 |
5 |
1 |
819 |
f |
[ACT]A:860 |
x,y,z |
1_555 |
3 |
1 |
183 |
35.4 |
-1.0 |
0.752 |
0 |
0 |
0 |
0.009 |
26 |
32 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
19571 |
35.3 |
-20.4 |
0.000 |
0 |
0 |
0 |
0.268 |
33 |
|
[ZN]B:900 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
19749 |
34.0 |
-20.2 |
0.000 |
0 |
0 |
0 |
0.268 |
Average: |
34.6 |
-20.3 |
0.000 |
0 |
0 |
0 |
0.268 |
27 |
34 |
|
A |
3 |
1 |
19571 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
5 |
3 |
19571 |
29.4 |
0.3 |
0.720 |
0 |
0 |
0 |
0.000 |
28 |
35 |
|
[GOL]B:881 |
4 |
1 |
220 |
f |
[DP1]B:791 |
x,y,z |
1_555 |
2 |
1 |
554 |
28.2 |
0.6 |
0.643 |
1 |
0 |
0 |
0.000 |
29 |
36 |
|
B |
6 |
3 |
19749 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
19571 |
26.6 |
-0.7 |
0.252 |
0 |
0 |
0 |
0.000 |
30 |
37 |
|
[GOL]A:880 |
2 |
1 |
217 |
f |
[DP1]A:790 |
x,y,z |
1_555 |
2 |
1 |
558 |
13.4 |
0.1 |
0.585 |
0 |
0 |
0 |
0.000 |
31 |
38 |
|
[DP1]B:791 |
2 |
1 |
554 |
f |
[H4B]B:761 |
x,y,z |
1_555 |
1 |
1 |
398 |
10.5 |
-0.1 |
0.242 |
0 |
0 |
0 |
0.000 |
39 |
|
[DP1]A:790 |
1 |
1 |
558 |
f |
[H4B]A:760 |
x,y,z |
1_555 |
1 |
1 |
399 |
2.1 |
0.0 |
0.243 |
0 |
0 |
0 |
0.000 |
Average: |
6.3 |
-0.0 |
0.242 |
0 |
0 |
0 |
0.001 |
32 |
40 |
|
B |
4 |
2 |
19749 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
19571 |
8.7 |
0.5 |
0.823 |
0 |
0 |
0 |
0.000 |
33 |
41 |
|
[DP1]B:791 |
1 |
1 |
554 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19571 |
3.2 |
-0.0 |
0.492 |
0 |
0 |
0 |
0.000 |
|