| ## |
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 |
|
[HEM]A:1407 |
43 |
1 |
842 |
f |
A |
x,y,z |
1_555 |
80 |
33 |
16632 |
598.7 |
-24.7 |
0.231 |
7 |
0 |
0 |
0.036 |
2 |
|
[HEM]B:1407 |
43 |
1 |
838 |
f |
B |
x,y,z |
1_555 |
83 |
34 |
16727 |
597.0 |
-25.2 |
0.159 |
7 |
0 |
0 |
0.036 |
| Average: |
597.9 |
-24.9 |
0.195 |
7 |
0 |
0 |
0.036 |
| 2 |
3 |
|
B |
49 |
16 |
16727 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
55 |
13 |
16632 |
469.4 |
-0.5 |
0.529 |
6 |
4 |
0 |
0.000 |
4 |
|
B |
49 |
13 |
16727 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
47 |
16 |
16632 |
450.0 |
-0.5 |
0.556 |
6 |
4 |
0 |
0.000 |
| Average: |
459.7 |
-0.5 |
0.543 |
6 |
4 |
0 |
0.000 |
| 3 |
5 |
|
A |
45 |
14 |
16632 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
43 |
10 |
16632 |
448.2 |
-2.4 |
0.522 |
3 |
5 |
0 |
0.000 |
| 4 |
6 |
|
B |
42 |
18 |
16727 |
◊ |
A |
x,y,z |
1_555 |
47 |
20 |
16632 |
422.5 |
-3.0 |
0.441 |
3 |
2 |
0 |
0.000 |
| 5 |
7 |
|
[QLE]A:1408 |
27 |
1 |
625 |
f |
A |
x,y,z |
1_555 |
57 |
23 |
16632 |
421.3 |
-0.9 |
0.199 |
1 |
0 |
0 |
0.002 |
8 |
|
[QLE]B:1408 |
26 |
1 |
631 |
f |
B |
x,y,z |
1_555 |
56 |
22 |
16727 |
417.3 |
-0.7 |
0.189 |
1 |
0 |
0 |
0.002 |
| Average: |
419.3 |
-0.8 |
0.194 |
1 |
0 |
0 |
0.002 |
| 6 |
9 |
|
B |
27 |
7 |
16727 |
◊ |
A |
x,y,z-1 |
1_554 |
27 |
8 |
16632 |
236.4 |
-3.8 |
0.171 |
0 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
21 |
6 |
16727 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
25 |
9 |
16727 |
206.1 |
1.2 |
0.817 |
2 |
4 |
0 |
0.000 |
| 8 |
11 |
|
B |
22 |
7 |
16727 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
21 |
7 |
16632 |
187.8 |
-2.9 |
0.226 |
1 |
1 |
0 |
0.000 |
| 9 |
12 |
|
[GOL]A:1417 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
16 |
9 |
16632 |
127.5 |
-0.3 |
0.593 |
6 |
0 |
0 |
0.003 |
| 10 |
13 |
|
A |
17 |
7 |
16632 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
7 |
16727 |
125.0 |
-1.3 |
0.446 |
0 |
0 |
0 |
0.000 |
| 11 |
14 |
|
[GOL]A:1420 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
16632 |
110.9 |
0.2 |
0.645 |
3 |
0 |
0 |
0.001 |
| 12 |
15 |
|
[GOL]B:1411 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
16727 |
105.5 |
-1.6 |
0.352 |
1 |
0 |
0 |
0.003 |
| 13 |
16 |
|
[SO4]B:1410 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
16727 |
104.4 |
-16.3 |
0.754 |
5 |
0 |
0 |
0.023 |
| 14 |
17 |
|
[GOL]A:1415 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
16632 |
103.5 |
-0.9 |
0.458 |
1 |
0 |
0 |
0.002 |
| 15 |
18 |
|
B |
18 |
8 |
16727 |
f |
[SO4]A:1414 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
185 |
99.6 |
-15.3 |
0.547 |
3 |
0 |
0 |
0.021 |
| 16 |
19 |
|
[GOL]A:1416 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
16632 |
99.0 |
0.3 |
0.671 |
0 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[SO4]A:1413 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
16632 |
90.3 |
-11.7 |
0.786 |
2 |
0 |
0 |
0.014 |
| 18 |
21 |
|
[GOL]A:1418 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
16632 |
89.5 |
0.9 |
0.754 |
1 |
0 |
0 |
0.000 |
| 19 |
22 |
|
B |
10 |
3 |
16727 |
◊ |
A |
-x,y-1/2,-z-1 |
2_544 |
12 |
6 |
16632 |
89.4 |
-0.7 |
0.487 |
0 |
0 |
0 |
0.000 |
| 20 |
23 |
|
[SO4]B:1409 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
16727 |
86.1 |
-11.6 |
0.780 |
3 |
0 |
0 |
0.016 |
| 21 |
24 |
|
[SO4]A:1410 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
16632 |
85.8 |
-10.1 |
0.934 |
4 |
0 |
0 |
0.014 |
| 22 |
25 |
|
B |
10 |
4 |
16727 |
f |
[GOL]A:1419 |
-x-1,y-1/2,-z |
2_445 |
5 |
1 |
216 |
81.9 |
0.6 |
0.665 |
2 |
0 |
0 |
0.000 |
| 23 |
26 |
|
[SO4]A:1412 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
16632 |
81.1 |
-10.5 |
0.878 |
1 |
0 |
0 |
0.012 |
| 24 |
27 |
|
[SO4]A:1409 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
16632 |
77.1 |
-9.7 |
0.918 |
3 |
0 |
0 |
0.013 |
| 25 |
28 |
|
[GOL]A:1415 |
5 |
1 |
219 |
f |
[QLE]A:1408 |
x,y,z |
1_555 |
9 |
1 |
625 |
70.5 |
0.0 |
0.371 |
0 |
0 |
0 |
0.000 |
| 26 |
29 |
|
[GOL]B:1411 |
5 |
1 |
215 |
f |
[QLE]B:1408 |
x,y,z |
1_555 |
7 |
1 |
631 |
70.3 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| 27 |
30 |
|
[SO4]A:1411 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
16632 |
68.9 |
-8.1 |
0.775 |
0 |
0 |
0 |
0.009 |
| 28 |
31 |
|
[GOL]A:1420 |
4 |
1 |
217 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
9 |
3 |
16632 |
62.3 |
-0.8 |
0.397 |
0 |
0 |
0 |
0.000 |
| 29 |
32 |
|
[GOL]A:1419 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
16632 |
60.6 |
0.8 |
0.734 |
1 |
0 |
0 |
0.000 |
| 30 |
33 |
|
[SO4]A:1414 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
16632 |
54.4 |
-6.8 |
0.758 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[QLE]B:1408 |
3 |
1 |
631 |
f |
[HEM]B:1407 |
x,y,z |
1_555 |
17 |
1 |
838 |
51.1 |
0.9 |
0.930 |
0 |
0 |
0 |
0.000 |
35 |
|
[QLE]A:1408 |
2 |
1 |
625 |
f |
[HEM]A:1407 |
x,y,z |
1_555 |
16 |
1 |
842 |
49.6 |
0.9 |
0.968 |
0 |
0 |
0 |
0.000 |
| Average: |
50.3 |
0.9 |
0.949 |
0 |
0 |
0 |
0.000 |
| 32 |
36 |
|
B |
7 |
2 |
16727 |
◊ |
[SO4]A:1409 |
-x,y-1/2,-z |
2_545 |
4 |
1 |
184 |
48.6 |
-6.0 |
0.805 |
2 |
0 |
0 |
0.000 |
| 33 |
37 |
|
[SO4]A:1411 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
16727 |
42.2 |
-5.0 |
0.768 |
0 |
0 |
0 |
0.000 |
| 34 |
38 |
|
[SO4]A:1412 |
4 |
1 |
184 |
◊ |
B |
x-1,y,z |
1_455 |
4 |
2 |
16727 |
34.0 |
-4.2 |
0.420 |
0 |
0 |
0 |
0.000 |
| 35 |
39 |
|
A |
2 |
1 |
16632 |
◊ |
[SO4]A:1410 |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
185 |
20.5 |
-2.1 |
0.908 |
0 |
0 |
0 |
0.000 |
| 36 |
40 |
|
B |
5 |
3 |
16727 |
f |
[GOL]A:1418 |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
219 |
18.6 |
-0.3 |
0.469 |
0 |
0 |
0 |
0.000 |
|