## |
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 |
95 |
25 |
8620 |
◊ |
C |
x,y,z |
1_555 |
98 |
24 |
8583 |
925.5 |
-8.2 |
0.316 |
13 |
11 |
0 |
0.178 |
2 |
|
F |
97 |
24 |
8586 |
◊ |
E |
x,y,z |
1_555 |
95 |
25 |
8697 |
920.3 |
-9.5 |
0.259 |
11 |
12 |
0 |
0.178 |
3 |
|
B |
95 |
26 |
8723 |
◊ |
A |
x,y,z |
1_555 |
105 |
25 |
8482 |
887.3 |
-6.6 |
0.350 |
15 |
11 |
0 |
0.178 |
Average: |
911.0 |
-8.1 |
0.309 |
13 |
11 |
0 |
0.178 |
2 |
4 |
|
A |
63 |
16 |
8482 |
x |
A |
-y,x,z |
3_555 |
68 |
19 |
8482 |
671.1 |
-4.7 |
0.391 |
5 |
0 |
0 |
0.129 |
5 |
|
C |
66 |
18 |
8583 |
x |
B |
x,y,z |
1_555 |
72 |
20 |
8723 |
660.5 |
-5.9 |
0.320 |
4 |
0 |
0 |
0.129 |
6 |
|
E |
75 |
19 |
8697 |
x |
E |
-y,x,z |
3_555 |
75 |
19 |
8697 |
658.8 |
-5.3 |
0.438 |
3 |
0 |
0 |
0.129 |
7 |
|
F |
60 |
15 |
8586 |
x |
C |
x,y,z |
1_555 |
69 |
20 |
8583 |
642.0 |
-5.3 |
0.385 |
5 |
0 |
0 |
0.129 |
8 |
|
D |
69 |
19 |
8620 |
x |
B |
-y,x,z |
3_555 |
60 |
16 |
8723 |
639.4 |
-5.7 |
0.300 |
4 |
0 |
0 |
0.129 |
9 |
|
D |
62 |
14 |
8620 |
x |
F |
-y,x,z |
3_555 |
68 |
19 |
8586 |
632.8 |
-7.0 |
0.299 |
3 |
0 |
0 |
0.129 |
Average: |
650.8 |
-5.7 |
0.355 |
4 |
0 |
0 |
0.129 |
3 |
10 |
|
D |
39 |
10 |
8620 |
◊ |
B |
x,y,z |
1_555 |
59 |
15 |
8723 |
488.5 |
-2.2 |
0.539 |
5 |
9 |
0 |
0.117 |
11 |
|
E |
57 |
15 |
8697 |
◊ |
F |
-y,x,z |
3_555 |
49 |
12 |
8586 |
480.7 |
-4.6 |
0.399 |
4 |
4 |
0 |
0.117 |
12 |
|
E |
45 |
14 |
8697 |
◊ |
C |
x,y,z |
1_555 |
54 |
15 |
8583 |
478.6 |
-4.1 |
0.364 |
6 |
9 |
0 |
0.117 |
13 |
|
D |
56 |
15 |
8620 |
◊ |
A |
-y,x,z |
3_555 |
43 |
12 |
8482 |
471.9 |
-1.5 |
0.638 |
7 |
7 |
0 |
0.117 |
14 |
|
B |
43 |
11 |
8723 |
◊ |
A |
-y,x,z |
3_555 |
58 |
15 |
8482 |
471.2 |
-4.0 |
0.383 |
5 |
8 |
0 |
0.117 |
15 |
|
C |
45 |
13 |
8583 |
◊ |
F |
-y,x,z |
3_555 |
54 |
16 |
8586 |
463.1 |
-3.6 |
0.483 |
4 |
7 |
0 |
0.117 |
Average: |
475.7 |
-3.3 |
0.468 |
5 |
7 |
0 |
0.117 |
4 |
16 |
|
[HEM]D:201 |
39 |
1 |
819 |
◊ |
C |
x,y,z |
1_555 |
44 |
12 |
8583 |
337.1 |
-10.3 |
0.376 |
0 |
0 |
0 |
0.113 |
17 |
|
[HEM]E:301 |
34 |
1 |
826 |
◊ |
F |
x,y,z |
1_555 |
45 |
11 |
8586 |
322.9 |
-10.1 |
0.435 |
0 |
0 |
0 |
0.113 |
18 |
|
[HEM]B:301 |
37 |
1 |
819 |
◊ |
A |
x,y,z |
1_555 |
46 |
11 |
8482 |
322.8 |
-9.3 |
0.432 |
0 |
0 |
0 |
0.113 |
Average: |
327.6 |
-9.9 |
0.415 |
0 |
0 |
0 |
0.113 |
5 |
19 |
|
[HEM]B:301 |
37 |
1 |
819 |
f |
B |
x,y,z |
1_555 |
42 |
11 |
8723 |
332.9 |
-10.0 |
0.367 |
0 |
0 |
0 |
0.115 |
20 |
|
[HEM]E:301 |
35 |
1 |
826 |
f |
E |
x,y,z |
1_555 |
39 |
11 |
8697 |
332.2 |
-9.8 |
0.312 |
0 |
0 |
0 |
0.115 |
21 |
|
[HEM]D:201 |
37 |
1 |
819 |
f |
D |
x,y,z |
1_555 |
42 |
12 |
8620 |
323.7 |
-10.5 |
0.346 |
0 |
0 |
0 |
0.115 |
Average: |
329.6 |
-10.1 |
0.342 |
0 |
0 |
0 |
0.115 |
6 |
22 |
|
B |
20 |
5 |
8723 |
◊ |
E |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
20 |
5 |
8697 |
176.4 |
0.5 |
0.722 |
1 |
0 |
0 |
0.000 |
7 |
23 |
|
C |
16 |
6 |
8583 |
◊ |
C |
-x+1,-y,z |
2_655 |
16 |
6 |
8583 |
161.2 |
1.3 |
0.812 |
0 |
0 |
0 |
0.000 |
8 |
24 |
|
B |
11 |
3 |
8723 |
◊ |
F |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
16 |
5 |
8586 |
138.9 |
0.5 |
0.705 |
0 |
0 |
0 |
0.000 |
9 |
25 |
|
A |
12 |
5 |
8482 |
◊ |
E |
-x+1/2,-y-1/2,z-1/2 |
6_544 |
14 |
3 |
8697 |
113.6 |
0.8 |
0.633 |
2 |
0 |
0 |
0.000 |
10 |
26 |
|
D |
11 |
4 |
8620 |
◊ |
D |
-x+1,-y,z |
2_655 |
10 |
3 |
8620 |
95.2 |
-0.9 |
0.483 |
0 |
0 |
0 |
0.000 |
11 |
27 |
|
A |
8 |
3 |
8482 |
◊ |
A |
-x,-y,z |
2_555 |
7 |
3 |
8482 |
94.4 |
2.5 |
0.951 |
4 |
0 |
0 |
0.000 |
28 |
|
E |
7 |
3 |
8697 |
◊ |
E |
-x,-y,z |
2_555 |
7 |
3 |
8697 |
88.0 |
2.3 |
0.940 |
0 |
0 |
0 |
0.000 |
29 |
|
F |
8 |
3 |
8586 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
8723 |
85.3 |
2.1 |
0.929 |
3 |
0 |
0 |
0.000 |
30 |
|
D |
7 |
3 |
8620 |
◊ |
C |
-y,x,z |
3_555 |
8 |
3 |
8583 |
66.3 |
1.9 |
0.913 |
2 |
0 |
0 |
0.000 |
Average: |
83.5 |
2.2 |
0.934 |
2 |
0 |
0 |
0.000 |
12 |
31 |
|
[FE]E:302 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
8697 |
76.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.269 |
32 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
8583 |
71.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.269 |
33 |
|
[FE]A:201 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
8482 |
68.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.269 |
34 |
|
[FE]D:203 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
10 |
8 |
8620 |
65.8 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.269 |
35 |
|
[FE]B:303 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
8723 |
65.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.269 |
36 |
|
[FE]F:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
8586 |
64.4 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.269 |
Average: |
68.6 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.269 |
13 |
37 |
|
[TRS]B:304 |
5 |
1 |
255 |
◊ |
A |
-y,x,z |
3_555 |
8 |
4 |
8482 |
73.4 |
1.1 |
0.125 |
1 |
0 |
0 |
0.000 |
14 |
38 |
|
E |
8 |
3 |
8697 |
◊ |
[TRS]F:203 |
-y,x,z |
3_555 |
5 |
1 |
256 |
72.2 |
2.1 |
0.189 |
0 |
0 |
0 |
0.000 |
15 |
39 |
|
[TRS]B:304 |
5 |
1 |
255 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
8620 |
65.0 |
0.4 |
0.562 |
0 |
0 |
0 |
0.000 |
16 |
40 |
|
[FE]C:201 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
8583 |
64.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.271 |
41 |
|
[FE]E:303 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
3 |
3 |
8697 |
63.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.271 |
42 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
7 |
6 |
8482 |
62.2 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.271 |
43 |
|
[FE]B:302 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
7 |
8723 |
61.7 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.271 |
44 |
|
[FE]D:202 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
8620 |
60.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.271 |
45 |
|
[FE]F:202 |
1 |
1 |
137 |
cf |
F |
x,y,z |
1_555 |
4 |
3 |
8586 |
59.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.271 |
Average: |
62.1 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.271 |
17 |
46 |
|
[TRS]B:304 |
5 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
8723 |
64.1 |
0.8 |
0.552 |
0 |
0 |
0 |
0.000 |
18 |
47 |
|
[TRS]B:304 |
5 |
1 |
255 |
◊ |
[TRS]A:203 |
-y,x,z |
3_555 |
5 |
1 |
254 |
55.9 |
2.2 |
1.000 |
2 |
0 |
0 |
0.000 |
19 |
48 |
|
[TRS]F:203 |
4 |
1 |
256 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
8586 |
55.2 |
0.4 |
0.490 |
0 |
0 |
0 |
0.000 |
20 |
49 |
|
C |
7 |
3 |
8583 |
f |
[TRS]F:203 |
-y,x,z |
3_555 |
5 |
1 |
256 |
55.0 |
0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
21 |
50 |
|
B |
4 |
2 |
8723 |
f |
[TRS]A:203 |
-y,x,z |
3_555 |
4 |
1 |
254 |
44.9 |
0.6 |
0.661 |
0 |
0 |
0 |
0.000 |
22 |
51 |
|
[TRS]A:203 |
3 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8482 |
43.0 |
0.9 |
0.699 |
0 |
0 |
0 |
0.000 |
23 |
52 |
|
D |
4 |
2 |
8620 |
◊ |
[TRS]A:203 |
-y,x,z |
3_555 |
4 |
1 |
254 |
33.7 |
0.4 |
0.794 |
0 |
0 |
0 |
0.000 |
24 |
53 |
|
[FE]D:203 |
1 |
1 |
137 |
f |
[FE]D:202 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.058 |
25 |
54 |
|
[FE]B:303 |
1 |
1 |
137 |
f |
[FE]B:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.047 |
26 |
55 |
|
[FE]F:202 |
1 |
1 |
137 |
f |
[FE]F:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
18.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.041 |
27 |
56 |
|
[FE]C:202 |
1 |
1 |
137 |
f |
[FE]C:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.038 |
28 |
57 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
16.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.037 |
29 |
58 |
|
[FE]E:303 |
1 |
1 |
137 |
f |
[FE]E:302 |
x,y,z |
1_555 |
1 |
1 |
137 |
10.6 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.023 |
30 |
59 |
|
F |
1 |
1 |
8586 |
◊ |
A |
-y-1/2,x-1/2,z+1/2 |
7_445 |
1 |
1 |
8482 |
9.6 |
0.5 |
0.896 |
0 |
0 |
0 |
0.000 |
31 |
60 |
|
D |
1 |
1 |
8620 |
◊ |
C |
-x+1,-y,z |
2_655 |
1 |
1 |
8583 |
1.4 |
-0.0 |
0.624 |
0 |
0 |
0 |
0.000 |
|