## |
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 |
419 |
99 |
22449 |
◊ |
A |
x,y,z |
1_555 |
416 |
103 |
22848 |
4011.1 |
-64.9 |
0.005 |
36 |
1 |
0 |
0.439 |
2 |
|
D |
412 |
101 |
22506 |
◊ |
C |
x,y,z |
1_555 |
408 |
98 |
22664 |
3921.2 |
-66.6 |
0.003 |
37 |
1 |
0 |
0.439 |
Average: |
3966.1 |
-65.8 |
0.004 |
37 |
1 |
0 |
0.439 |
2 |
3 |
|
[HEM]C:500 |
42 |
1 |
797 |
f |
C |
x,y,z |
1_555 |
88 |
33 |
22664 |
551.5 |
-21.2 |
0.443 |
7 |
0 |
0 |
0.252 |
4 |
|
[HEM]B:500 |
42 |
1 |
796 |
f |
B |
x,y,z |
1_555 |
83 |
34 |
22449 |
549.3 |
-20.8 |
0.427 |
6 |
0 |
0 |
0.252 |
5 |
|
[HEM]A:500 |
42 |
1 |
790 |
f |
A |
x,y,z |
1_555 |
85 |
34 |
22848 |
544.8 |
-20.2 |
0.470 |
7 |
0 |
0 |
0.252 |
6 |
|
[HEM]D:500 |
43 |
1 |
789 |
f |
D |
x,y,z |
1_555 |
83 |
32 |
22506 |
543.5 |
-21.0 |
0.413 |
5 |
0 |
0 |
0.252 |
Average: |
547.3 |
-20.8 |
0.438 |
6 |
0 |
0 |
0.252 |
3 |
7 |
|
C |
56 |
15 |
22664 |
◊ |
A |
x,y,z |
1_555 |
55 |
16 |
22848 |
507.1 |
-6.6 |
0.387 |
0 |
0 |
0 |
0.032 |
8 |
|
D |
50 |
14 |
22506 |
◊ |
B |
x,y,z |
1_555 |
51 |
15 |
22449 |
481.6 |
-5.8 |
0.400 |
0 |
0 |
0 |
0.032 |
Average: |
494.3 |
-6.2 |
0.394 |
0 |
0 |
0 |
0.032 |
4 |
9 |
|
A |
56 |
18 |
22848 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
49 |
18 |
22506 |
468.7 |
-1.3 |
0.777 |
4 |
12 |
0 |
0.000 |
5 |
10 |
|
[CM5]A:504 |
21 |
1 |
532 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
22848 |
333.6 |
2.7 |
0.523 |
2 |
0 |
0 |
0.000 |
6 |
11 |
|
[CM5]B:504 |
20 |
1 |
535 |
◊ |
B |
x,y,z |
1_555 |
51 |
17 |
22449 |
324.4 |
3.0 |
0.518 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
[CM5]D:504 |
21 |
1 |
540 |
f |
D |
x,y,z |
1_555 |
51 |
17 |
22506 |
319.9 |
4.8 |
0.626 |
3 |
0 |
0 |
0.000 |
8 |
13 |
|
[CM5]C:504 |
21 |
1 |
510 |
f |
C |
x,y,z |
1_555 |
48 |
16 |
22664 |
311.7 |
0.4 |
0.401 |
2 |
0 |
0 |
0.003 |
9 |
14 |
|
A |
29 |
10 |
22848 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
31 |
11 |
22449 |
266.6 |
-0.5 |
0.773 |
4 |
0 |
0 |
0.000 |
10 |
15 |
|
[PB2]D:502 |
18 |
1 |
450 |
f |
D |
x,y,z |
1_555 |
40 |
16 |
22506 |
237.4 |
-7.0 |
0.361 |
0 |
0 |
0 |
0.038 |
16 |
|
[PB2]B:496 |
18 |
1 |
448 |
f |
B |
x,y,z |
1_555 |
38 |
16 |
22449 |
234.3 |
-7.0 |
0.359 |
0 |
0 |
0 |
0.038 |
Average: |
235.9 |
-7.0 |
0.360 |
0 |
0 |
0 |
0.038 |
11 |
17 |
|
[PB2]B:502 |
17 |
1 |
452 |
f |
A |
x,y,z |
1_555 |
40 |
16 |
22848 |
236.3 |
-7.0 |
0.362 |
0 |
0 |
0 |
0.038 |
12 |
18 |
|
[PB2]C:502 |
17 |
1 |
447 |
f |
C |
x,y,z |
1_555 |
38 |
16 |
22664 |
229.8 |
-6.8 |
0.372 |
0 |
0 |
0 |
0.036 |
13 |
19 |
|
[PB2]D:501 |
17 |
1 |
454 |
f |
D |
x,y,z |
1_555 |
23 |
12 |
22506 |
188.5 |
-5.1 |
0.269 |
0 |
0 |
0 |
0.054 |
20 |
|
[PB2]B:501 |
16 |
1 |
453 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
22449 |
188.2 |
-5.0 |
0.288 |
0 |
0 |
0 |
0.054 |
21 |
|
[PB2]C:501 |
18 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
22664 |
187.8 |
-5.1 |
0.244 |
0 |
0 |
0 |
0.054 |
22 |
|
[PB2]A:501 |
17 |
1 |
453 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
22848 |
184.9 |
-4.9 |
0.367 |
0 |
0 |
0 |
0.054 |
Average: |
187.4 |
-5.0 |
0.292 |
0 |
0 |
0 |
0.054 |
14 |
23 |
|
C |
18 |
5 |
22664 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
19 |
8 |
22848 |
160.3 |
-0.6 |
0.698 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
[PB2]D:501 |
13 |
1 |
454 |
◊ |
C |
x,y,z |
1_555 |
24 |
7 |
22664 |
144.5 |
-4.2 |
0.509 |
0 |
0 |
0 |
0.044 |
25 |
|
[PB2]A:501 |
13 |
1 |
453 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
22449 |
143.9 |
-4.1 |
0.517 |
0 |
0 |
0 |
0.044 |
26 |
|
[PB2]C:501 |
15 |
1 |
454 |
◊ |
D |
x,y,z |
1_555 |
23 |
7 |
22506 |
142.5 |
-3.9 |
0.532 |
0 |
0 |
0 |
0.044 |
27 |
|
[PB2]B:501 |
13 |
1 |
453 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
22848 |
142.4 |
-4.0 |
0.526 |
0 |
0 |
0 |
0.044 |
Average: |
143.3 |
-4.0 |
0.521 |
0 |
0 |
0 |
0.044 |
16 |
28 |
|
[PB2]A:503 |
12 |
1 |
337 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
22848 |
143.0 |
-3.5 |
0.641 |
0 |
0 |
0 |
0.019 |
17 |
29 |
|
[PB2]D:503 |
12 |
1 |
337 |
◊ |
D |
x,y,z |
1_555 |
19 |
8 |
22506 |
141.3 |
-3.5 |
0.649 |
0 |
0 |
0 |
0.019 |
18 |
30 |
|
[PB2]B:503 |
12 |
1 |
332 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
22449 |
138.9 |
-3.6 |
0.555 |
0 |
0 |
0 |
0.020 |
19 |
31 |
|
[PB2]C:503 |
12 |
1 |
333 |
f |
C |
x,y,z |
1_555 |
18 |
8 |
22664 |
136.4 |
-3.5 |
0.594 |
0 |
0 |
0 |
0.019 |
20 |
32 |
|
[PB2]A:503 |
12 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
22449 |
132.8 |
-3.7 |
0.538 |
0 |
0 |
0 |
0.020 |
21 |
33 |
|
[PB2]D:503 |
12 |
1 |
337 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
22664 |
130.4 |
-3.7 |
0.548 |
0 |
0 |
0 |
0.019 |
22 |
34 |
|
[PB2]B:503 |
12 |
1 |
332 |
◊ |
A |
x,y,z |
1_555 |
24 |
7 |
22848 |
129.9 |
-3.6 |
0.607 |
0 |
0 |
0 |
0.019 |
23 |
35 |
|
[PB2]C:503 |
12 |
1 |
333 |
◊ |
D |
x,y,z |
1_555 |
25 |
8 |
22506 |
127.5 |
-3.5 |
0.627 |
0 |
0 |
0 |
0.018 |
24 |
36 |
|
D |
18 |
7 |
22506 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
6 |
22449 |
126.2 |
1.2 |
0.858 |
0 |
2 |
0 |
0.000 |
25 |
37 |
|
C |
10 |
3 |
22664 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
22449 |
124.1 |
-2.7 |
0.164 |
0 |
0 |
0 |
0.013 |
38 |
|
D |
10 |
3 |
22506 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
22848 |
117.3 |
-2.5 |
0.190 |
0 |
0 |
0 |
0.013 |
Average: |
120.7 |
-2.6 |
0.177 |
0 |
0 |
0 |
0.013 |
26 |
39 |
|
[PB2]B:502 |
13 |
1 |
452 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
22449 |
121.1 |
-2.6 |
0.736 |
0 |
0 |
0 |
0.014 |
27 |
40 |
|
[PB2]C:502 |
13 |
1 |
447 |
◊ |
D |
x,y,z |
1_555 |
19 |
8 |
22506 |
120.3 |
-2.5 |
0.768 |
0 |
0 |
0 |
0.013 |
28 |
41 |
|
A |
16 |
6 |
22848 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
16 |
6 |
22664 |
117.1 |
0.7 |
0.808 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
[PB2]D:502 |
13 |
1 |
450 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
22664 |
116.6 |
-2.5 |
0.746 |
0 |
0 |
0 |
0.013 |
43 |
|
[PB2]B:496 |
14 |
1 |
448 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
22848 |
115.0 |
-2.3 |
0.744 |
0 |
0 |
0 |
0.013 |
Average: |
115.8 |
-2.4 |
0.745 |
0 |
0 |
0 |
0.013 |
30 |
44 |
|
[CM5]B:504 |
8 |
1 |
535 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
22848 |
87.6 |
1.3 |
0.270 |
0 |
0 |
0 |
0.000 |
31 |
45 |
|
[CM5]A:504 |
9 |
1 |
532 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
22449 |
82.2 |
1.2 |
0.265 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
[CM5]C:504 |
9 |
1 |
510 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
22506 |
80.4 |
1.0 |
0.288 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
C |
12 |
6 |
22664 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
5 |
22449 |
80.1 |
0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
34 |
48 |
|
[CM5]D:504 |
8 |
1 |
540 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
22664 |
79.8 |
1.2 |
0.263 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
C |
9 |
5 |
22664 |
x |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
5 |
22664 |
74.4 |
-1.6 |
0.315 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[PB2]A:501 |
5 |
1 |
453 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
24 |
1 |
790 |
70.1 |
-2.3 |
0.945 |
0 |
0 |
0 |
0.024 |
51 |
|
[PB2]D:501 |
6 |
1 |
454 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
25 |
1 |
789 |
68.5 |
-2.1 |
0.972 |
0 |
0 |
0 |
0.024 |
52 |
|
[PB2]B:501 |
6 |
1 |
453 |
f |
[HEM]B:500 |
x,y,z |
1_555 |
25 |
1 |
796 |
68.5 |
-2.2 |
0.977 |
0 |
0 |
0 |
0.024 |
53 |
|
[PB2]C:501 |
6 |
1 |
454 |
f |
[HEM]C:500 |
x,y,z |
1_555 |
25 |
1 |
797 |
65.6 |
-2.0 |
0.979 |
0 |
0 |
0 |
0.024 |
Average: |
68.2 |
-2.1 |
0.968 |
0 |
0 |
0 |
0.024 |
37 |
54 |
|
A |
9 |
6 |
22848 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
10 |
8 |
22506 |
70.0 |
-0.9 |
0.522 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
[HEM]A:500 |
15 |
1 |
790 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
22449 |
67.5 |
-2.6 |
0.214 |
0 |
0 |
0 |
0.026 |
56 |
|
[HEM]C:500 |
14 |
1 |
797 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
22506 |
63.5 |
-2.3 |
0.186 |
0 |
0 |
0 |
0.026 |
57 |
|
[HEM]B:500 |
15 |
1 |
796 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
22848 |
62.3 |
-2.2 |
0.253 |
0 |
0 |
0 |
0.026 |
58 |
|
[HEM]D:500 |
15 |
1 |
789 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
22664 |
61.4 |
-2.2 |
0.219 |
0 |
0 |
0 |
0.026 |
Average: |
63.7 |
-2.3 |
0.218 |
0 |
0 |
0 |
0.026 |
39 |
59 |
|
[PB2]B:503 |
3 |
1 |
332 |
f |
[PB2]B:496 |
x,y,z |
1_555 |
7 |
1 |
448 |
36.4 |
-1.2 |
0.973 |
0 |
0 |
0 |
0.006 |
40 |
60 |
|
[PB2]C:503 |
3 |
1 |
333 |
f |
[PB2]C:502 |
x,y,z |
1_555 |
3 |
1 |
447 |
34.8 |
-1.1 |
0.891 |
0 |
0 |
0 |
0.006 |
41 |
61 |
|
[PB2]D:503 |
3 |
1 |
337 |
◊ |
[PB2]D:502 |
x,y,z |
1_555 |
8 |
1 |
450 |
33.9 |
-1.1 |
0.983 |
0 |
0 |
0 |
0.006 |
42 |
62 |
|
[PB2]B:502 |
8 |
1 |
452 |
◊ |
[PB2]A:503 |
x,y,z |
1_555 |
3 |
1 |
337 |
32.5 |
-1.0 |
0.983 |
0 |
0 |
0 |
0.006 |
43 |
63 |
|
[PB2]B:502 |
3 |
1 |
452 |
f |
[PB2]A:501 |
x,y,z |
1_555 |
2 |
1 |
453 |
24.9 |
-0.8 |
0.782 |
0 |
0 |
0 |
0.004 |
44 |
64 |
|
[PB2]B:501 |
2 |
1 |
453 |
f |
[PB2]B:496 |
x,y,z |
1_555 |
3 |
1 |
448 |
24.5 |
-0.8 |
0.804 |
0 |
0 |
0 |
0.004 |
65 |
|
[PB2]D:502 |
3 |
1 |
450 |
f |
[PB2]D:501 |
x,y,z |
1_555 |
2 |
1 |
454 |
23.0 |
-0.7 |
0.830 |
0 |
0 |
0 |
0.004 |
Average: |
23.7 |
-0.8 |
0.817 |
0 |
0 |
0 |
0.004 |
45 |
66 |
|
[PB2]C:502 |
3 |
1 |
447 |
f |
[PB2]C:501 |
x,y,z |
1_555 |
2 |
1 |
454 |
22.1 |
-0.7 |
0.867 |
0 |
0 |
0 |
0.004 |
46 |
67 |
|
[PB2]C:503 |
2 |
1 |
333 |
f |
[PB2]C:501 |
x,y,z |
1_555 |
1 |
1 |
454 |
10.7 |
-0.3 |
0.850 |
0 |
0 |
0 |
0.002 |
47 |
68 |
|
[CM5]D:504 |
1 |
1 |
540 |
f |
[HEM]D:500 |
x,y,z |
1_555 |
2 |
1 |
789 |
2.5 |
-0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
48 |
69 |
|
[CM5]A:504 |
1 |
1 |
532 |
f |
[HEM]A:500 |
x,y,z |
1_555 |
1 |
1 |
790 |
1.7 |
-0.1 |
0.593 |
0 |
0 |
0 |
0.000 |
|