## |
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 |
|
N |
137 |
36 |
15041 |
◊ |
M |
x,y,z |
1_555 |
128 |
36 |
14879 |
1276.5 |
-24.4 |
0.045 |
3 |
0 |
0 |
1.000 |
2 |
2 |
|
O |
112 |
32 |
14835 |
◊ |
N |
x,y,z |
1_555 |
120 |
33 |
15041 |
1196.1 |
-16.4 |
0.200 |
6 |
5 |
0 |
1.000 |
3 |
3 |
|
O |
100 |
28 |
14835 |
◊ |
M |
x,y,z |
1_555 |
109 |
31 |
14879 |
1096.5 |
-14.6 |
0.163 |
4 |
1 |
0 |
1.000 |
4 |
4 |
|
D |
109 |
27 |
8604 |
◊ |
A |
x,y,z |
1_555 |
104 |
27 |
9366 |
1092.6 |
-8.0 |
0.426 |
4 |
2 |
0 |
0.176 |
5 |
|
L |
109 |
31 |
8389 |
◊ |
I |
x,y,z |
1_555 |
109 |
31 |
9177 |
1086.6 |
-8.6 |
0.411 |
4 |
1 |
0 |
0.176 |
6 |
|
H |
109 |
30 |
8687 |
◊ |
E |
x,y,z |
1_555 |
105 |
28 |
9301 |
1061.8 |
-9.7 |
0.354 |
2 |
0 |
0 |
0.176 |
Average: |
1080.3 |
-8.8 |
0.397 |
3 |
1 |
0 |
0.176 |
5 |
7 |
|
K |
98 |
28 |
10034 |
◊ |
J |
x,y,z |
1_555 |
108 |
30 |
8990 |
977.4 |
-9.9 |
0.417 |
4 |
2 |
0 |
0.221 |
8 |
|
C |
97 |
30 |
9923 |
◊ |
B |
x,y,z |
1_555 |
100 |
30 |
8883 |
939.0 |
-10.6 |
0.363 |
3 |
1 |
0 |
0.221 |
9 |
|
G |
94 |
29 |
9737 |
◊ |
F |
x,y,z |
1_555 |
102 |
30 |
8896 |
935.3 |
-11.5 |
0.360 |
2 |
1 |
0 |
0.221 |
Average: |
950.6 |
-10.6 |
0.380 |
3 |
1 |
0 |
0.221 |
6 |
10 |
|
N |
75 |
22 |
15041 |
◊ |
F |
x,y,z |
1_555 |
89 |
24 |
8896 |
803.5 |
-8.4 |
0.381 |
2 |
2 |
0 |
0.063 |
7 |
11 |
|
M |
73 |
21 |
14879 |
◊ |
B |
x,y,z |
1_555 |
83 |
23 |
8883 |
721.3 |
-10.9 |
0.175 |
5 |
6 |
0 |
0.417 |
8 |
12 |
|
O |
63 |
22 |
14835 |
◊ |
J |
x,y,z |
1_555 |
79 |
20 |
8990 |
703.8 |
-10.3 |
0.102 |
3 |
4 |
0 |
0.393 |
9 |
13 |
|
[HEM]K:201 |
43 |
1 |
817 |
f |
K |
x,y,z |
1_555 |
80 |
25 |
10034 |
662.2 |
-22.1 |
0.394 |
0 |
0 |
0 |
0.414 |
14 |
|
[HEM]C:201 |
43 |
1 |
811 |
f |
C |
x,y,z |
1_555 |
85 |
24 |
9923 |
657.0 |
-21.9 |
0.500 |
3 |
0 |
0 |
0.414 |
15 |
|
[HEM]G:201 |
43 |
1 |
817 |
f |
G |
x,y,z |
1_555 |
79 |
25 |
9737 |
646.1 |
-20.2 |
0.588 |
0 |
0 |
0 |
0.414 |
Average: |
655.1 |
-21.4 |
0.494 |
1 |
0 |
0 |
0.414 |
10 |
16 |
|
[HEM]I:201 |
43 |
1 |
819 |
f |
I |
x,y,z |
1_555 |
75 |
27 |
9177 |
628.5 |
-20.5 |
0.368 |
2 |
0 |
0 |
0.382 |
17 |
|
[HEM]E:201 |
43 |
1 |
814 |
f |
E |
x,y,z |
1_555 |
76 |
28 |
9301 |
627.6 |
-20.2 |
0.411 |
2 |
0 |
0 |
0.382 |
18 |
|
[HEM]A:201 |
43 |
1 |
814 |
f |
A |
x,y,z |
1_555 |
68 |
26 |
9366 |
616.3 |
-19.1 |
0.391 |
0 |
0 |
0 |
0.382 |
Average: |
624.1 |
-19.9 |
0.390 |
1 |
0 |
0 |
0.382 |
11 |
19 |
|
[HEM]H:201 |
43 |
1 |
821 |
f |
H |
x,y,z |
1_555 |
73 |
24 |
8687 |
626.9 |
-21.6 |
0.335 |
2 |
0 |
0 |
0.384 |
20 |
|
[HEM]D:201 |
42 |
1 |
816 |
f |
D |
x,y,z |
1_555 |
75 |
24 |
8604 |
615.1 |
-21.2 |
0.416 |
2 |
0 |
0 |
0.384 |
21 |
|
[HEM]L:201 |
43 |
1 |
822 |
f |
L |
x,y,z |
1_555 |
75 |
24 |
8389 |
597.3 |
-21.0 |
0.394 |
2 |
0 |
0 |
0.384 |
Average: |
613.1 |
-21.2 |
0.382 |
2 |
0 |
0 |
0.384 |
12 |
22 |
|
[HEM]F:201 |
43 |
1 |
819 |
f |
F |
x,y,z |
1_555 |
81 |
26 |
8896 |
619.5 |
-18.8 |
0.622 |
2 |
0 |
0 |
0.607 |
23 |
|
[HEM]B:201 |
43 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
80 |
24 |
8883 |
617.0 |
-18.7 |
0.577 |
2 |
0 |
0 |
0.607 |
24 |
|
[HEM]J:201 |
43 |
1 |
820 |
f |
J |
x,y,z |
1_555 |
80 |
25 |
8990 |
602.8 |
-18.4 |
0.563 |
1 |
0 |
0 |
0.607 |
Average: |
613.1 |
-18.6 |
0.587 |
2 |
0 |
0 |
0.607 |
13 |
25 |
|
G |
54 |
16 |
9737 |
◊ |
A |
x,y,z |
1_555 |
65 |
19 |
9366 |
561.8 |
-11.0 |
0.112 |
4 |
2 |
0 |
0.250 |
26 |
|
K |
48 |
16 |
10034 |
◊ |
E |
x,y,z |
1_555 |
62 |
16 |
9301 |
542.7 |
-7.9 |
0.188 |
2 |
0 |
0 |
0.250 |
27 |
|
C |
43 |
14 |
9923 |
◊ |
I |
x,y,z |
1_555 |
62 |
17 |
9177 |
537.5 |
-9.4 |
0.111 |
4 |
2 |
0 |
0.250 |
Average: |
547.3 |
-9.4 |
0.137 |
3 |
1 |
0 |
0.250 |
14 |
28 |
|
D |
45 |
15 |
8604 |
◊ |
C |
x,y,z |
1_555 |
52 |
15 |
9923 |
525.7 |
-6.4 |
0.293 |
3 |
0 |
0 |
0.057 |
29 |
|
H |
51 |
14 |
8687 |
◊ |
G |
x,y,z |
1_555 |
51 |
14 |
9737 |
482.5 |
-5.3 |
0.395 |
3 |
4 |
0 |
0.057 |
30 |
|
L |
38 |
11 |
8389 |
◊ |
K |
x,y,z |
1_555 |
44 |
14 |
10034 |
419.4 |
-7.3 |
0.188 |
1 |
0 |
0 |
0.057 |
Average: |
475.9 |
-6.3 |
0.292 |
2 |
1 |
0 |
0.057 |
15 |
31 |
|
F |
38 |
13 |
8896 |
◊ |
E |
x,y,z |
1_555 |
46 |
13 |
9301 |
407.5 |
-6.1 |
0.212 |
2 |
0 |
0 |
0.115 |
32 |
|
B |
39 |
13 |
8883 |
◊ |
A |
x,y,z |
1_555 |
48 |
12 |
9366 |
402.4 |
-6.5 |
0.205 |
1 |
0 |
0 |
0.115 |
33 |
|
J |
34 |
12 |
8990 |
◊ |
I |
x,y,z |
1_555 |
38 |
12 |
9177 |
372.4 |
-6.6 |
0.135 |
2 |
0 |
0 |
0.115 |
Average: |
394.1 |
-6.4 |
0.184 |
2 |
0 |
0 |
0.115 |
16 |
34 |
|
H |
42 |
12 |
8687 |
◊ |
D |
x,y,z |
1_555 |
40 |
11 |
8604 |
367.2 |
-3.3 |
0.597 |
0 |
0 |
0 |
0.022 |
35 |
|
L |
34 |
10 |
8389 |
◊ |
D |
x,y,z |
1_555 |
40 |
11 |
8604 |
323.9 |
-3.1 |
0.598 |
0 |
0 |
0 |
0.022 |
36 |
|
L |
36 |
11 |
8389 |
◊ |
H |
x,y,z |
1_555 |
33 |
10 |
8687 |
319.9 |
-3.6 |
0.507 |
0 |
0 |
0 |
0.022 |
Average: |
337.0 |
-3.3 |
0.567 |
0 |
0 |
0 |
0.022 |
17 |
37 |
|
O |
32 |
9 |
14835 |
◊ |
I |
x,y,z |
1_555 |
45 |
11 |
9177 |
312.4 |
-3.9 |
0.375 |
3 |
1 |
0 |
0.082 |
18 |
38 |
|
C |
25 |
6 |
9923 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
9366 |
253.8 |
-2.3 |
0.315 |
3 |
0 |
0 |
0.047 |
39 |
|
G |
21 |
5 |
9737 |
◊ |
E |
x,y,z |
1_555 |
26 |
6 |
9301 |
246.5 |
-1.6 |
0.527 |
5 |
2 |
0 |
0.047 |
40 |
|
K |
19 |
5 |
10034 |
◊ |
I |
x,y,z |
1_555 |
21 |
6 |
9177 |
213.0 |
-2.1 |
0.409 |
5 |
0 |
0 |
0.047 |
Average: |
237.8 |
-2.0 |
0.417 |
4 |
1 |
0 |
0.047 |
19 |
41 |
|
N |
23 |
7 |
15041 |
◊ |
E |
x,y,z |
1_555 |
34 |
8 |
9301 |
241.8 |
-6.4 |
0.117 |
0 |
0 |
0 |
0.042 |
20 |
42 |
|
M |
25 |
7 |
14879 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
9366 |
240.8 |
-3.4 |
0.326 |
3 |
0 |
0 |
0.047 |
21 |
43 |
|
M |
29 |
9 |
14879 |
◊ |
G |
x,y,z |
1_555 |
27 |
11 |
9737 |
216.2 |
-1.9 |
0.444 |
1 |
0 |
0 |
0.024 |
22 |
44 |
|
N |
23 |
8 |
15041 |
◊ |
K |
x,y,z |
1_555 |
18 |
9 |
10034 |
149.4 |
-2.2 |
0.471 |
0 |
0 |
0 |
0.013 |
23 |
45 |
|
O |
15 |
4 |
14835 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
9923 |
72.8 |
-0.8 |
0.532 |
0 |
0 |
0 |
0.008 |
24 |
46 |
|
[HEM]F:201 |
5 |
1 |
819 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
9737 |
52.0 |
-2.1 |
0.591 |
1 |
0 |
0 |
0.045 |
47 |
|
[HEM]J:201 |
5 |
1 |
820 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
10034 |
47.8 |
-2.0 |
0.626 |
1 |
0 |
0 |
0.045 |
48 |
|
[HEM]B:201 |
5 |
1 |
815 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9923 |
47.7 |
-1.8 |
0.649 |
0 |
0 |
0 |
0.045 |
Average: |
49.1 |
-2.0 |
0.622 |
1 |
0 |
0 |
0.045 |
25 |
49 |
|
[HEM]G:201 |
5 |
1 |
817 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
8896 |
44.0 |
-1.7 |
0.668 |
0 |
0 |
0 |
0.034 |
50 |
|
[HEM]C:201 |
3 |
1 |
811 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
8883 |
36.4 |
-1.6 |
0.476 |
1 |
0 |
0 |
0.034 |
51 |
|
[HEM]K:201 |
3 |
1 |
817 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
8990 |
34.8 |
-1.6 |
0.497 |
0 |
0 |
0 |
0.034 |
Average: |
38.4 |
-1.6 |
0.547 |
0 |
0 |
0 |
0.034 |
26 |
52 |
|
[HEM]L:201 |
3 |
1 |
822 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
9177 |
43.5 |
-2.8 |
0.235 |
0 |
0 |
0 |
0.046 |
53 |
|
[HEM]H:201 |
3 |
1 |
821 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
9301 |
40.8 |
-2.8 |
0.247 |
0 |
0 |
0 |
0.046 |
54 |
|
[HEM]D:201 |
3 |
1 |
816 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9366 |
36.0 |
-2.2 |
0.272 |
0 |
0 |
0 |
0.046 |
Average: |
40.1 |
-2.6 |
0.251 |
0 |
0 |
0 |
0.046 |
27 |
55 |
|
[HEM]E:201 |
4 |
1 |
814 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
8687 |
38.7 |
-1.9 |
0.568 |
0 |
0 |
0 |
0.031 |
56 |
|
[HEM]I:201 |
4 |
1 |
819 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
8389 |
37.6 |
-1.9 |
0.569 |
0 |
0 |
0 |
0.031 |
57 |
|
[HEM]A:201 |
4 |
1 |
814 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
8604 |
35.8 |
-1.7 |
0.615 |
0 |
0 |
0 |
0.031 |
Average: |
37.4 |
-1.8 |
0.584 |
0 |
0 |
0 |
0.031 |
28 |
58 |
|
[HEM]L:201 |
3 |
1 |
822 |
◊ |
[HEM]I:201 |
x,y,z |
1_555 |
2 |
1 |
819 |
24.0 |
-2.4 |
0.359 |
0 |
0 |
0 |
0.040 |
59 |
|
[HEM]D:201 |
3 |
1 |
816 |
◊ |
[HEM]A:201 |
x,y,z |
1_555 |
2 |
1 |
814 |
22.5 |
-2.3 |
0.410 |
0 |
0 |
0 |
0.040 |
60 |
|
[HEM]H:201 |
2 |
1 |
821 |
◊ |
[HEM]E:201 |
x,y,z |
1_555 |
2 |
1 |
814 |
20.6 |
-2.1 |
0.342 |
0 |
0 |
0 |
0.040 |
61 |
|
[HEM]K:201 |
1 |
1 |
817 |
◊ |
[HEM]J:201 |
x,y,z |
1_555 |
3 |
1 |
820 |
7.7 |
-0.7 |
0.496 |
0 |
0 |
0 |
0.040 |
Average: |
18.7 |
-1.9 |
0.402 |
0 |
0 |
0 |
0.040 |
29 |
62 |
|
D |
2 |
2 |
8604 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
9177 |
11.2 |
0.2 |
0.769 |
0 |
0 |
0 |
0.000 |
63 |
|
H |
2 |
2 |
8687 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9366 |
10.0 |
0.2 |
0.773 |
0 |
0 |
0 |
0.000 |
64 |
|
L |
2 |
2 |
8389 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
9301 |
7.3 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
Average: |
9.5 |
0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
30 |
65 |
|
D |
1 |
1 |
8604 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
9737 |
6.1 |
0.3 |
0.880 |
0 |
0 |
0 |
0.000 |
|