| ## |
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 |
|
D |
96 |
26 |
20051 |
◊ |
C |
x,y,z |
1_555 |
80 |
28 |
19909 |
769.9 |
4.2 |
0.857 |
10 |
11 |
0 |
0.000 |
| 2 |
2 |
|
[HEM]H:501 |
43 |
1 |
832 |
f |
H |
x,y,z |
1_555 |
90 |
32 |
22256 |
666.9 |
-22.0 |
0.465 |
6 |
0 |
0 |
0.138 |
3 |
|
[HEM]G:500 |
43 |
1 |
837 |
f |
G |
x,y,z |
1_555 |
86 |
32 |
21076 |
650.4 |
-22.0 |
0.445 |
8 |
0 |
0 |
0.138 |
4 |
|
[HEM]F:500 |
43 |
1 |
832 |
f |
F |
x,y,z |
1_555 |
86 |
34 |
20730 |
644.1 |
-25.9 |
0.113 |
6 |
0 |
0 |
0.138 |
5 |
|
[HEM]E:500 |
43 |
1 |
831 |
f |
E |
x,y,z |
1_555 |
78 |
32 |
20467 |
634.2 |
-22.1 |
0.371 |
8 |
0 |
0 |
0.138 |
6 |
|
[HEM]D:500 |
43 |
1 |
827 |
f |
D |
x,y,z |
1_555 |
87 |
34 |
20051 |
618.1 |
-21.7 |
0.325 |
9 |
0 |
0 |
0.138 |
7 |
|
[HEM]B:500 |
43 |
1 |
834 |
f |
B |
x,y,z |
1_555 |
85 |
33 |
20261 |
616.2 |
-21.1 |
0.389 |
7 |
0 |
0 |
0.138 |
8 |
|
[HEM]C:500 |
43 |
1 |
833 |
f |
C |
x,y,z |
1_555 |
87 |
33 |
19909 |
614.0 |
-21.9 |
0.316 |
8 |
0 |
0 |
0.138 |
9 |
|
[HEM]A:500 |
43 |
1 |
827 |
f |
A |
x,y,z |
1_555 |
84 |
34 |
20166 |
603.9 |
-23.0 |
0.222 |
7 |
0 |
0 |
0.138 |
| Average: |
631.0 |
-22.5 |
0.331 |
7 |
0 |
0 |
0.138 |
| 3 |
10 |
|
B |
81 |
26 |
20261 |
◊ |
A |
x,y,z |
1_555 |
78 |
26 |
20166 |
653.1 |
4.5 |
0.884 |
7 |
7 |
0 |
0.000 |
| 4 |
11 |
|
H |
58 |
23 |
22256 |
◊ |
E |
x,y,z |
1_555 |
65 |
25 |
20467 |
568.8 |
-5.9 |
0.171 |
1 |
0 |
0 |
0.000 |
12 |
|
G |
53 |
22 |
21076 |
◊ |
F |
x,y,z |
1_555 |
58 |
21 |
20730 |
504.7 |
-4.2 |
0.289 |
1 |
0 |
0 |
0.000 |
| Average: |
536.7 |
-5.0 |
0.230 |
1 |
0 |
0 |
0.000 |
| 5 |
13 |
|
D |
70 |
21 |
20051 |
◊ |
A |
x,y-1,z-1 |
1_544 |
64 |
19 |
20166 |
531.7 |
4.1 |
0.829 |
3 |
4 |
0 |
0.000 |
14 |
|
C |
59 |
19 |
19909 |
◊ |
B |
x,y,z |
1_555 |
58 |
18 |
20261 |
478.8 |
4.6 |
0.875 |
3 |
3 |
0 |
0.000 |
| Average: |
505.3 |
4.3 |
0.852 |
3 |
4 |
0 |
0.000 |
| 6 |
15 |
|
D |
42 |
11 |
20051 |
◊ |
H |
x-1,y,z-1 |
1_454 |
40 |
11 |
22256 |
443.7 |
-6.9 |
0.070 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
43 |
10 |
20261 |
◊ |
G |
x-1,y,z |
1_455 |
45 |
10 |
21076 |
434.8 |
-7.2 |
0.065 |
2 |
0 |
0 |
0.000 |
| Average: |
439.2 |
-7.0 |
0.067 |
2 |
0 |
0 |
0.000 |
| 7 |
17 |
|
F |
42 |
10 |
20730 |
◊ |
C |
x,y,z |
1_555 |
42 |
10 |
19909 |
432.2 |
-7.2 |
0.051 |
3 |
0 |
0 |
0.000 |
18 |
|
E |
39 |
10 |
20467 |
◊ |
A |
x,y-1,z |
1_545 |
39 |
10 |
20166 |
378.2 |
-7.6 |
0.036 |
4 |
0 |
0 |
0.000 |
| Average: |
405.2 |
-7.4 |
0.043 |
4 |
0 |
0 |
0.000 |
| 8 |
19 |
|
E |
35 |
13 |
20467 |
◊ |
G |
x,y-1,z |
1_545 |
41 |
16 |
21076 |
308.3 |
3.8 |
0.860 |
1 |
0 |
0 |
0.000 |
| 9 |
20 |
|
E |
34 |
10 |
20467 |
◊ |
G |
x-1,y-1,z |
1_445 |
23 |
8 |
21076 |
252.0 |
0.6 |
0.664 |
3 |
0 |
0 |
0.000 |
| 10 |
21 |
|
H |
19 |
6 |
22256 |
◊ |
A |
x,y-1,z |
1_545 |
17 |
6 |
20166 |
215.5 |
-4.9 |
0.029 |
0 |
0 |
0 |
0.000 |
| 11 |
22 |
|
[NCT]A:501 |
12 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
34 |
14 |
20166 |
214.0 |
5.4 |
0.160 |
0 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[NCT]B:501 |
12 |
1 |
338 |
f |
B |
x,y,z |
1_555 |
33 |
15 |
20261 |
211.0 |
5.9 |
0.193 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[NCT]C:501 |
12 |
1 |
332 |
f |
C |
x,y,z |
1_555 |
32 |
13 |
19909 |
208.5 |
5.8 |
0.183 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[NCT]D:501 |
12 |
1 |
335 |
f |
D |
x,y,z |
1_555 |
31 |
14 |
20051 |
206.8 |
5.6 |
0.167 |
0 |
0 |
0 |
0.000 |
| 15 |
26 |
|
G |
18 |
5 |
21076 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
19909 |
206.6 |
-4.6 |
0.032 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
18 |
7 |
20261 |
◊ |
F |
x-1,y,z |
1_455 |
20 |
6 |
20730 |
198.7 |
-4.3 |
0.055 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
19 |
7 |
20051 |
◊ |
E |
x-1,y,z-1 |
1_454 |
16 |
5 |
20467 |
190.9 |
-4.0 |
0.064 |
0 |
0 |
0 |
0.000 |
| Average: |
198.7 |
-4.3 |
0.050 |
0 |
0 |
0 |
0.000 |
| 16 |
29 |
|
H |
19 |
4 |
22256 |
◊ |
A |
x,y,z |
1_555 |
22 |
6 |
20166 |
203.6 |
-0.1 |
0.373 |
1 |
0 |
0 |
0.000 |
| 17 |
30 |
|
D |
20 |
5 |
20051 |
◊ |
F |
x-1,y-1,z |
1_445 |
21 |
5 |
20730 |
187.4 |
-3.4 |
0.137 |
1 |
1 |
0 |
0.000 |
| 18 |
31 |
|
B |
25 |
7 |
20261 |
◊ |
E |
x-1,y,z |
1_455 |
24 |
7 |
20467 |
177.0 |
-3.0 |
0.223 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
F |
18 |
5 |
20730 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
6 |
20166 |
148.0 |
3.5 |
0.910 |
1 |
0 |
0 |
0.000 |
| 20 |
33 |
|
C |
17 |
6 |
19909 |
◊ |
G |
x,y-1,z |
1_545 |
21 |
5 |
21076 |
115.0 |
-1.7 |
0.355 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[GOL]H:502 |
6 |
1 |
214 |
f |
E |
x,y,z |
1_555 |
14 |
6 |
20467 |
85.9 |
-1.0 |
0.487 |
3 |
0 |
0 |
0.008 |
| 22 |
35 |
|
[GOL]H:502 |
6 |
1 |
214 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
22256 |
84.7 |
-0.5 |
0.491 |
3 |
0 |
0 |
0.000 |
| 23 |
36 |
|
[NCT]D:501 |
6 |
1 |
335 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
23 |
1 |
827 |
62.7 |
0.9 |
0.243 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[NCT]A:501 |
5 |
1 |
337 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
23 |
1 |
827 |
60.4 |
1.0 |
0.370 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[NCT]B:501 |
6 |
1 |
338 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
22 |
1 |
834 |
59.6 |
0.8 |
0.217 |
0 |
0 |
0 |
0.000 |
39 |
|
[NCT]C:501 |
5 |
1 |
332 |
f |
[HEM]C:500 |
x,y,z |
1_555 |
22 |
1 |
833 |
59.4 |
0.7 |
0.348 |
0 |
0 |
0 |
0.000 |
| Average: |
59.5 |
0.7 |
0.282 |
0 |
0 |
0 |
0.000 |
| 26 |
40 |
|
H |
2 |
1 |
22256 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20261 |
7.0 |
-0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
F |
1 |
1 |
20730 |
◊ |
H |
x-1,y,z-1 |
1_454 |
1 |
1 |
22256 |
5.9 |
0.3 |
0.878 |
0 |
0 |
0 |
0.000 |
| 28 |
42 |
|
E |
3 |
1 |
20467 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19909 |
5.7 |
-0.2 |
0.377 |
0 |
0 |
0 |
0.000 |
|