## |
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 |
|
F |
388 |
98 |
14601 |
◊ |
E |
x,y,z |
1_555 |
394 |
96 |
14611 |
4050.4 |
-96.2 |
0.000 |
16 |
6 |
0 |
0.898 |
2 |
|
D |
396 |
97 |
14589 |
◊ |
C |
x,y,z |
1_555 |
391 |
98 |
14585 |
4039.9 |
-96.2 |
0.000 |
16 |
6 |
0 |
0.898 |
3 |
|
H |
399 |
98 |
14627 |
◊ |
G |
x,y,z |
1_555 |
389 |
99 |
14593 |
4034.8 |
-95.8 |
0.000 |
15 |
6 |
0 |
0.898 |
4 |
|
B |
393 |
97 |
14545 |
◊ |
A |
x,y,z |
1_555 |
392 |
98 |
14482 |
4029.4 |
-95.8 |
0.000 |
16 |
6 |
0 |
0.898 |
5 |
|
J |
399 |
98 |
14576 |
◊ |
I |
x,y,z |
1_555 |
392 |
99 |
14554 |
4014.3 |
-94.6 |
0.000 |
16 |
5 |
0 |
0.898 |
Average: |
4033.8 |
-95.7 |
0.000 |
16 |
6 |
0 |
0.898 |
2 |
6 |
|
G |
71 |
18 |
14593 |
◊ |
F |
x,y,z |
1_555 |
71 |
18 |
14601 |
630.2 |
-4.3 |
0.703 |
6 |
4 |
0 |
0.060 |
7 |
|
C |
70 |
18 |
14585 |
◊ |
B |
x,y,z |
1_555 |
71 |
19 |
14545 |
629.6 |
-4.4 |
0.701 |
6 |
4 |
0 |
0.060 |
8 |
|
I |
69 |
18 |
14554 |
◊ |
H |
x,y,z |
1_555 |
72 |
18 |
14627 |
629.5 |
-4.5 |
0.705 |
8 |
4 |
0 |
0.060 |
9 |
|
E |
71 |
18 |
14611 |
◊ |
D |
x,y,z |
1_555 |
71 |
18 |
14589 |
628.3 |
-5.2 |
0.654 |
6 |
4 |
0 |
0.060 |
10 |
|
J |
69 |
18 |
14576 |
◊ |
A |
x,y,z |
1_555 |
69 |
18 |
14482 |
616.2 |
-5.5 |
0.623 |
5 |
4 |
0 |
0.060 |
Average: |
626.7 |
-4.8 |
0.677 |
6 |
4 |
0 |
0.060 |
3 |
11 |
|
E |
40 |
13 |
14611 |
◊ |
C |
x,y,z |
1_555 |
40 |
11 |
14585 |
330.9 |
-1.0 |
0.795 |
4 |
7 |
0 |
0.057 |
12 |
|
I |
37 |
11 |
14554 |
◊ |
A |
x,y,z |
1_555 |
40 |
13 |
14482 |
330.1 |
-1.1 |
0.793 |
4 |
7 |
0 |
0.057 |
13 |
|
F |
36 |
9 |
14601 |
◊ |
D |
x,y,z |
1_555 |
40 |
13 |
14589 |
325.4 |
-1.0 |
0.794 |
4 |
7 |
0 |
0.057 |
14 |
|
G |
38 |
12 |
14593 |
◊ |
E |
x,y,z |
1_555 |
38 |
10 |
14611 |
324.5 |
-1.0 |
0.787 |
4 |
7 |
0 |
0.057 |
15 |
|
I |
41 |
13 |
14554 |
◊ |
G |
x,y,z |
1_555 |
37 |
10 |
14593 |
324.4 |
-1.0 |
0.787 |
4 |
7 |
0 |
0.057 |
16 |
|
C |
39 |
13 |
14585 |
◊ |
A |
x,y,z |
1_555 |
38 |
10 |
14482 |
323.5 |
-1.0 |
0.788 |
4 |
7 |
0 |
0.057 |
17 |
|
J |
38 |
11 |
14576 |
◊ |
H |
x,y,z |
1_555 |
40 |
13 |
14627 |
323.2 |
-1.0 |
0.806 |
4 |
7 |
0 |
0.057 |
18 |
|
D |
40 |
11 |
14589 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
14545 |
322.6 |
-1.1 |
0.801 |
4 |
7 |
0 |
0.057 |
19 |
|
J |
39 |
13 |
14576 |
◊ |
B |
x,y,z |
1_555 |
37 |
9 |
14545 |
321.7 |
-1.0 |
0.796 |
4 |
7 |
0 |
0.057 |
20 |
|
H |
39 |
11 |
14627 |
◊ |
F |
x,y,z |
1_555 |
39 |
13 |
14601 |
319.0 |
-1.0 |
0.802 |
4 |
7 |
0 |
0.057 |
Average: |
324.5 |
-1.0 |
0.795 |
4 |
7 |
0 |
0.057 |
4 |
21 |
|
H |
38 |
13 |
14627 |
◊ |
A |
x,y,z-1 |
1_554 |
25 |
9 |
14482 |
285.1 |
-0.3 |
0.795 |
2 |
2 |
0 |
0.000 |
22 |
|
J |
38 |
14 |
14576 |
◊ |
C |
x,y-1,z |
1_545 |
28 |
10 |
14585 |
267.5 |
-0.6 |
0.797 |
3 |
2 |
0 |
0.000 |
Average: |
276.3 |
-0.5 |
0.796 |
3 |
2 |
0 |
0.000 |
5 |
23 |
|
F |
18 |
8 |
14601 |
◊ |
E |
x-1,y,z |
1_455 |
24 |
6 |
14611 |
212.6 |
-2.4 |
0.522 |
1 |
0 |
0 |
0.000 |
6 |
24 |
|
B |
19 |
7 |
14545 |
◊ |
I |
x-1,y,z |
1_455 |
22 |
7 |
14554 |
176.8 |
-0.6 |
0.721 |
1 |
1 |
0 |
0.000 |
7 |
25 |
|
J |
17 |
7 |
14576 |
◊ |
F |
x,y-1,z |
1_545 |
19 |
8 |
14601 |
166.9 |
-0.1 |
0.740 |
3 |
0 |
0 |
0.000 |
26 |
|
H |
17 |
7 |
14627 |
◊ |
D |
x,y,z-1 |
1_554 |
12 |
6 |
14589 |
128.2 |
-0.4 |
0.709 |
0 |
0 |
0 |
0.000 |
Average: |
147.6 |
-0.3 |
0.724 |
2 |
0 |
0 |
0.000 |
8 |
27 |
|
A |
14 |
6 |
14482 |
◊ |
E |
x,y-1,z+1 |
1_546 |
16 |
6 |
14611 |
164.8 |
-0.6 |
0.662 |
3 |
2 |
0 |
0.000 |
28 |
|
B |
16 |
6 |
14545 |
◊ |
F |
x,y-1,z+1 |
1_546 |
13 |
5 |
14601 |
163.5 |
-0.9 |
0.634 |
3 |
2 |
0 |
0.000 |
Average: |
164.2 |
-0.7 |
0.648 |
3 |
2 |
0 |
0.000 |
9 |
29 |
|
I |
23 |
9 |
14554 |
◊ |
C |
x,y-1,z |
1_545 |
16 |
6 |
14585 |
163.7 |
-0.1 |
0.779 |
1 |
0 |
0 |
0.000 |
30 |
|
G |
20 |
8 |
14593 |
◊ |
A |
x,y,z-1 |
1_554 |
14 |
6 |
14482 |
142.0 |
-0.1 |
0.756 |
1 |
0 |
0 |
0.000 |
Average: |
152.8 |
-0.1 |
0.768 |
1 |
0 |
0 |
0.000 |
10 |
31 |
|
[MPO]A:301 |
10 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
18 |
11 |
14482 |
163.2 |
2.5 |
0.191 |
0 |
0 |
0 |
0.000 |
32 |
|
[MPO]H:301 |
10 |
1 |
360 |
◊ |
H |
x,y,z |
1_555 |
19 |
11 |
14627 |
159.8 |
2.4 |
0.200 |
1 |
0 |
0 |
0.000 |
33 |
|
[MPO]C:301 |
11 |
1 |
359 |
◊ |
C |
x,y,z |
1_555 |
19 |
11 |
14585 |
156.6 |
2.4 |
0.155 |
1 |
0 |
0 |
0.000 |
Average: |
159.9 |
2.5 |
0.182 |
1 |
0 |
0 |
0.000 |
11 |
34 |
|
[MPO]J:301 |
11 |
1 |
361 |
◊ |
J |
x,y,z |
1_555 |
19 |
11 |
14576 |
162.6 |
2.5 |
0.173 |
1 |
0 |
0 |
0.000 |
12 |
35 |
|
[MPO]I:301 |
10 |
1 |
361 |
◊ |
I |
x,y,z |
1_555 |
20 |
11 |
14554 |
162.4 |
2.5 |
0.225 |
0 |
0 |
0 |
0.000 |
13 |
36 |
|
H |
12 |
6 |
14627 |
◊ |
G |
x-1,y,z |
1_455 |
12 |
4 |
14593 |
113.8 |
1.4 |
0.837 |
0 |
0 |
0 |
0.000 |
14 |
37 |
|
[MPO]I:301 |
9 |
1 |
361 |
f |
J |
x,y,z |
1_555 |
12 |
5 |
14576 |
94.3 |
3.3 |
0.275 |
0 |
0 |
0 |
0.000 |
15 |
38 |
|
[MPO]J:301 |
8 |
1 |
361 |
f |
I |
x,y,z |
1_555 |
10 |
5 |
14554 |
89.5 |
3.2 |
0.330 |
0 |
0 |
0 |
0.000 |
39 |
|
[MPO]H:301 |
8 |
1 |
360 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
14593 |
83.6 |
3.2 |
0.271 |
0 |
0 |
0 |
0.000 |
40 |
|
[MPO]A:301 |
8 |
1 |
361 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
14545 |
83.0 |
3.1 |
0.274 |
0 |
0 |
0 |
0.000 |
Average: |
85.4 |
3.2 |
0.291 |
0 |
0 |
0 |
0.000 |
16 |
41 |
|
H |
12 |
8 |
14627 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
8 |
14585 |
85.8 |
0.1 |
0.722 |
0 |
0 |
0 |
0.000 |
42 |
|
J |
5 |
3 |
14576 |
◊ |
E |
x,y-1,z |
1_545 |
6 |
2 |
14611 |
32.1 |
-0.2 |
0.643 |
0 |
0 |
0 |
0.000 |
Average: |
58.9 |
-0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
17 |
43 |
|
[MPO]C:301 |
9 |
1 |
359 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
14589 |
80.2 |
3.0 |
0.182 |
0 |
0 |
0 |
0.000 |
18 |
44 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
14482 |
67.6 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.161 |
45 |
|
[CL]F:301 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
11 |
5 |
14601 |
67.6 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.161 |
46 |
|
[CL]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
14585 |
67.1 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.161 |
47 |
|
[CL]E:301 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
14611 |
67.1 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.161 |
48 |
|
[CL]H:302 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
10 |
5 |
14627 |
67.1 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.161 |
49 |
|
[CL]G:301 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
10 |
5 |
14593 |
55.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.161 |
50 |
|
[CL]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
14589 |
55.5 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.161 |
51 |
|
[CL]I:302 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
10 |
5 |
14554 |
54.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.161 |
52 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
14545 |
54.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.161 |
53 |
|
[CL]J:302 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
10 |
5 |
14576 |
53.3 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
61.0 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.161 |
19 |
54 |
|
H |
6 |
2 |
14627 |
◊ |
B |
x,y,z-1 |
1_554 |
4 |
3 |
14545 |
52.0 |
0.6 |
0.807 |
1 |
1 |
0 |
0.000 |
55 |
|
J |
6 |
2 |
14576 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
2 |
14589 |
49.5 |
0.6 |
0.832 |
1 |
1 |
0 |
0.000 |
Average: |
50.8 |
0.6 |
0.820 |
1 |
1 |
0 |
0.000 |
20 |
56 |
|
D |
6 |
4 |
14589 |
◊ |
G |
x-1,y,z+1 |
1_456 |
4 |
2 |
14593 |
41.6 |
-0.7 |
0.468 |
0 |
0 |
0 |
0.000 |
21 |
57 |
|
[CL]J:302 |
1 |
1 |
125 |
f |
[MPO]I:301 |
x,y,z |
1_555 |
5 |
1 |
361 |
37.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.039 |
22 |
58 |
|
[CL]B:301 |
1 |
1 |
125 |
f |
[MPO]A:301 |
x,y,z |
1_555 |
6 |
1 |
361 |
35.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.037 |
59 |
|
[CL]I:302 |
1 |
1 |
125 |
f |
[MPO]J:301 |
x,y,z |
1_555 |
6 |
1 |
361 |
35.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.037 |
60 |
|
[CL]G:301 |
1 |
1 |
125 |
f |
[MPO]H:301 |
x,y,z |
1_555 |
7 |
1 |
360 |
35.0 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
61 |
|
[CL]D:301 |
1 |
1 |
125 |
f |
[MPO]C:301 |
x,y,z |
1_555 |
6 |
1 |
359 |
34.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
35.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.037 |
23 |
62 |
|
I |
6 |
4 |
14554 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
14545 |
14.0 |
0.4 |
0.812 |
0 |
0 |
0 |
0.000 |
63 |
|
H |
5 |
3 |
14627 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
14611 |
12.1 |
0.3 |
0.794 |
0 |
0 |
0 |
0.000 |
64 |
|
J |
4 |
2 |
14576 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
14593 |
11.5 |
0.3 |
0.791 |
0 |
0 |
0 |
0.000 |
65 |
|
F |
3 |
1 |
14601 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14585 |
11.3 |
0.3 |
0.798 |
0 |
0 |
0 |
0.000 |
66 |
|
D |
4 |
2 |
14589 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14482 |
11.3 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
Average: |
12.0 |
0.3 |
0.797 |
0 |
0 |
0 |
0.000 |
24 |
67 |
|
[CL]E:301 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
14601 |
7.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.012 |
68 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
14545 |
7.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
69 |
|
[CL]H:302 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
14593 |
7.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
70 |
|
[CL]C:302 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14589 |
7.4 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
71 |
|
[CL]F:301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
14611 |
7.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.012 |
72 |
|
[CL]J:302 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
14554 |
6.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
73 |
|
[CL]G:301 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
14627 |
6.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
74 |
|
[CL]I:302 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
14576 |
6.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
75 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
14585 |
5.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
76 |
|
[CL]B:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14482 |
5.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.012 |
Average: |
6.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.012 |
|