## |
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 |
578 |
140 |
31025 |
◊ |
B |
x,y,z |
1_555 |
586 |
141 |
31024 |
5329.1 |
-38.8 |
0.224 |
66 |
34 |
0 |
0.516 |
2 |
|
C |
571 |
139 |
30796 |
◊ |
A |
x,y,z |
1_555 |
579 |
143 |
30933 |
5292.6 |
-41.1 |
0.195 |
66 |
35 |
0 |
0.516 |
Average: |
5310.9 |
-40.0 |
0.210 |
66 |
35 |
0 |
0.516 |
2 |
3 |
|
D |
501 |
117 |
31025 |
◊ |
A |
x,y,z |
1_555 |
500 |
117 |
30933 |
4820.5 |
-48.9 |
0.041 |
66 |
14 |
0 |
0.563 |
4 |
|
C |
509 |
118 |
30796 |
◊ |
B |
x,y,z |
1_555 |
501 |
116 |
31024 |
4819.7 |
-47.8 |
0.050 |
64 |
15 |
0 |
0.563 |
Average: |
4820.1 |
-48.4 |
0.046 |
65 |
15 |
0 |
0.563 |
3 |
5 |
|
B |
207 |
58 |
31024 |
◊ |
A |
x,y,z |
1_555 |
203 |
59 |
30933 |
1870.3 |
-25.1 |
0.023 |
24 |
0 |
0 |
0.351 |
6 |
|
D |
205 |
57 |
31025 |
◊ |
C |
x,y,z |
1_555 |
208 |
58 |
30796 |
1865.3 |
-24.5 |
0.031 |
23 |
0 |
0 |
0.351 |
Average: |
1867.8 |
-24.8 |
0.027 |
24 |
0 |
0 |
0.351 |
4 |
7 |
|
C |
78 |
26 |
30796 |
◊ |
C |
-x,y,-z-1 |
2_554 |
78 |
26 |
30796 |
630.0 |
3.5 |
0.949 |
4 |
2 |
0 |
0.000 |
5 |
8 |
|
D |
70 |
23 |
31025 |
◊ |
D |
-x+1,y,-z |
2_655 |
71 |
23 |
31025 |
586.4 |
2.2 |
0.902 |
4 |
0 |
0 |
0.000 |
6 |
9 |
|
[HEM]B:754 |
43 |
1 |
828 |
cf |
B |
x,y,z |
1_555 |
92 |
29 |
31024 |
581.0 |
-18.6 |
0.598 |
4 |
0 |
0 |
0.385 |
10 |
|
[HEM]C:754 |
43 |
1 |
828 |
cf |
C |
x,y,z |
1_555 |
91 |
29 |
30796 |
581.0 |
-18.7 |
0.613 |
4 |
0 |
0 |
0.385 |
11 |
|
[HEM]D:754 |
43 |
1 |
824 |
f |
D |
x,y,z |
1_555 |
91 |
28 |
31025 |
580.6 |
-18.6 |
0.602 |
4 |
0 |
0 |
0.385 |
12 |
|
[HEM]A:754 |
43 |
1 |
827 |
cf |
A |
x,y,z |
1_555 |
91 |
29 |
30933 |
580.4 |
-17.0 |
0.682 |
4 |
0 |
0 |
0.385 |
Average: |
580.8 |
-18.2 |
0.624 |
4 |
0 |
0 |
0.385 |
7 |
13 |
|
B |
40 |
15 |
31024 |
◊ |
C |
-x+1/2,y-1/2,-z-1 |
4_544 |
40 |
16 |
30796 |
342.6 |
1.3 |
0.776 |
3 |
0 |
0 |
0.000 |
8 |
14 |
|
A |
35 |
12 |
30933 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
32 |
12 |
31025 |
305.7 |
3.3 |
0.899 |
6 |
0 |
0 |
0.000 |
9 |
15 |
|
A |
30 |
10 |
30933 |
◊ |
A |
-x,y,-z |
2_555 |
30 |
10 |
30933 |
278.9 |
3.0 |
0.929 |
14 |
4 |
0 |
0.000 |
16 |
|
B |
28 |
10 |
31024 |
◊ |
B |
-x+1,y,-z-1 |
2_654 |
28 |
10 |
31024 |
275.4 |
2.7 |
0.914 |
12 |
4 |
0 |
0.000 |
Average: |
277.1 |
2.9 |
0.922 |
13 |
4 |
0 |
0.000 |
10 |
17 |
|
C |
21 |
8 |
30796 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
24 |
8 |
31024 |
201.7 |
1.3 |
0.842 |
3 |
0 |
0 |
0.000 |
11 |
18 |
|
A |
10 |
5 |
30933 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
17 |
4 |
31025 |
121.6 |
-0.3 |
0.632 |
0 |
0 |
0 |
0.000 |
12 |
19 |
|
[HEM]C:754 |
7 |
1 |
828 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
30933 |
84.1 |
-2.3 |
0.458 |
0 |
0 |
0 |
0.032 |
20 |
|
[HEM]D:754 |
8 |
1 |
824 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
31024 |
82.2 |
-2.3 |
0.459 |
0 |
0 |
0 |
0.032 |
21 |
|
[HEM]A:754 |
8 |
1 |
827 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
30796 |
81.8 |
-2.3 |
0.466 |
0 |
0 |
0 |
0.032 |
22 |
|
[HEM]B:754 |
8 |
1 |
828 |
◊ |
D |
x,y,z |
1_555 |
11 |
4 |
31025 |
81.6 |
-2.3 |
0.470 |
0 |
0 |
0 |
0.032 |
Average: |
82.4 |
-2.3 |
0.463 |
0 |
0 |
0 |
0.032 |
13 |
23 |
|
[CA]C:1700 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
30796 |
61.9 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.110 |
14 |
24 |
|
C |
6 |
2 |
30796 |
◊ |
B |
-x,y,-z-1 |
2_554 |
4 |
1 |
31024 |
58.7 |
1.9 |
0.934 |
2 |
4 |
0 |
0.000 |
15 |
25 |
|
[CA]C:1699 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
30796 |
51.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.232 |
26 |
|
[CA]A:1699 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
30933 |
51.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.232 |
27 |
|
[CA]B:1699 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
31024 |
50.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.232 |
28 |
|
[CA]D:1699 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
31025 |
49.0 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.232 |
Average: |
50.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.232 |
16 |
29 |
|
B |
7 |
2 |
31024 |
◊ |
D |
-x+1/2,y-1/2,-z-1 |
4_544 |
5 |
2 |
31025 |
42.2 |
-0.4 |
0.468 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
B |
7 |
3 |
31024 |
x |
B |
-x+1/2,y-1/2,-z-1 |
4_544 |
4 |
1 |
31024 |
39.1 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
18 |
31 |
|
A |
3 |
2 |
30933 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
30933 |
27.8 |
-0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
C |
2 |
2 |
30796 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
31025 |
21.6 |
0.4 |
0.806 |
0 |
0 |
0 |
0.000 |
20 |
33 |
|
[CA]A:1700 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
31024 |
14.4 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.016 |
34 |
|
[CA]A:1700 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
30796 |
13.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
35 |
|
[CA]A:1700 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
30933 |
13.3 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
36 |
|
[CA]A:1700 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
31025 |
12.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
13.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
21 |
37 |
|
[CA]D:1699 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
30796 |
11.7 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.032 |
38 |
|
[CA]C:1699 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
31025 |
10.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
39 |
|
[CA]B:1699 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
30933 |
10.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.032 |
40 |
|
[CA]A:1699 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
31024 |
9.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.032 |
Average: |
10.6 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
22 |
41 |
|
D |
1 |
1 |
31025 |
◊ |
A |
-x+1,y,-z |
2_655 |
3 |
1 |
30933 |
6.2 |
0.0 |
0.447 |
0 |
0 |
0 |
0.000 |
|