## |
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 |
380 |
102 |
21460 |
◊ |
A |
x,y,z |
1_555 |
386 |
104 |
22198 |
3634.5 |
-37.9 |
0.020 |
50 |
8 |
0 |
0.612 |
2 |
|
F |
360 |
100 |
23173 |
◊ |
F |
x,-y+1,-z+1 |
4_566 |
360 |
100 |
23173 |
3477.3 |
-35.4 |
0.037 |
54 |
8 |
0 |
0.612 |
3 |
|
D |
359 |
100 |
22318 |
◊ |
C |
x,y,z |
1_555 |
367 |
99 |
21554 |
3476.1 |
-32.4 |
0.055 |
50 |
8 |
0 |
0.612 |
4 |
|
E |
363 |
100 |
21641 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
363 |
100 |
21641 |
3457.6 |
-33.3 |
0.040 |
46 |
8 |
0 |
0.612 |
Average: |
3511.4 |
-34.8 |
0.038 |
50 |
8 |
0 |
0.612 |
2 |
5 |
|
D |
87 |
23 |
22318 |
◊ |
A |
x,y,z |
1_555 |
69 |
19 |
22198 |
717.5 |
-4.6 |
0.267 |
8 |
6 |
0 |
0.391 |
6 |
|
E |
89 |
25 |
21641 |
◊ |
D |
x,-y+1,-z+1 |
4_566 |
71 |
17 |
22318 |
692.8 |
-5.7 |
0.233 |
9 |
4 |
0 |
0.391 |
7 |
|
F |
67 |
16 |
23173 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
82 |
22 |
21460 |
685.8 |
-4.7 |
0.288 |
9 |
4 |
0 |
0.391 |
8 |
|
C |
87 |
24 |
21554 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
66 |
15 |
21460 |
673.3 |
-4.1 |
0.275 |
8 |
4 |
0 |
0.391 |
9 |
|
F |
87 |
25 |
23173 |
◊ |
C |
x,y,z |
1_555 |
67 |
16 |
21554 |
672.9 |
-6.1 |
0.169 |
5 |
3 |
0 |
0.391 |
10 |
|
E |
69 |
16 |
21641 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
86 |
23 |
22198 |
668.4 |
-6.8 |
0.178 |
7 |
5 |
0 |
0.391 |
Average: |
685.1 |
-5.3 |
0.235 |
8 |
4 |
0 |
0.391 |
3 |
11 |
|
F |
70 |
22 |
23173 |
◊ |
A |
-x+2,y,-z+1/2 |
3_755 |
77 |
30 |
22198 |
636.8 |
-1.7 |
0.540 |
7 |
2 |
0 |
0.000 |
4 |
12 |
|
C |
74 |
18 |
21554 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
68 |
15 |
22198 |
619.3 |
3.8 |
0.896 |
7 |
5 |
0 |
0.022 |
13 |
|
E |
64 |
15 |
21641 |
◊ |
A |
x,y,z |
1_555 |
68 |
19 |
22198 |
569.0 |
2.4 |
0.840 |
7 |
4 |
0 |
0.022 |
14 |
|
D |
65 |
18 |
22318 |
◊ |
B |
x,y,z |
1_555 |
60 |
14 |
21460 |
568.1 |
2.6 |
0.867 |
6 |
4 |
0 |
0.022 |
15 |
|
E |
63 |
18 |
21641 |
◊ |
C |
x,-y+1,-z+1 |
4_566 |
65 |
15 |
21554 |
551.3 |
2.5 |
0.843 |
11 |
5 |
0 |
0.022 |
16 |
|
F |
62 |
15 |
23173 |
◊ |
B |
x,y,z |
1_555 |
66 |
18 |
21460 |
538.9 |
3.4 |
0.878 |
9 |
4 |
0 |
0.022 |
17 |
|
F |
62 |
17 |
23173 |
◊ |
D |
x,y,z |
1_555 |
62 |
15 |
22318 |
508.2 |
2.7 |
0.838 |
8 |
4 |
0 |
0.022 |
Average: |
559.1 |
2.9 |
0.860 |
8 |
4 |
0 |
0.022 |
5 |
18 |
|
D |
47 |
15 |
22318 |
◊ |
C |
-x+2,y,-z+3/2 |
3_756 |
54 |
17 |
21554 |
415.5 |
-0.7 |
0.641 |
2 |
1 |
0 |
0.000 |
6 |
19 |
|
E |
43 |
15 |
21641 |
◊ |
F |
x-1,-y+1,-z+1 |
4_466 |
46 |
15 |
23173 |
377.9 |
-1.9 |
0.509 |
4 |
0 |
0 |
0.000 |
7 |
20 |
|
F |
37 |
11 |
23173 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
45 |
14 |
21460 |
331.9 |
-5.8 |
0.133 |
1 |
0 |
0 |
0.000 |
8 |
21 |
|
[PLP]E:900 |
15 |
1 |
396 |
cf |
E |
x,y,z |
1_555 |
35 |
16 |
21641 |
232.2 |
-0.7 |
0.492 |
10 |
0 |
0 |
0.194 |
22 |
|
[PLP]F:900 |
15 |
1 |
394 |
cf |
F |
x,y,z |
1_555 |
36 |
15 |
23173 |
231.9 |
-0.4 |
0.564 |
11 |
0 |
0 |
0.194 |
23 |
|
[PLP]C:900 |
15 |
1 |
392 |
cf |
C |
x,y,z |
1_555 |
35 |
16 |
21554 |
230.8 |
-0.7 |
0.527 |
10 |
0 |
0 |
0.194 |
24 |
|
[PLP]D:900 |
15 |
1 |
391 |
cf |
D |
x,y,z |
1_555 |
37 |
15 |
22318 |
230.8 |
0.4 |
0.637 |
11 |
0 |
0 |
0.194 |
25 |
|
[PLP]B:900 |
15 |
1 |
393 |
cf |
B |
x,y,z |
1_555 |
36 |
16 |
21460 |
229.3 |
0.4 |
0.639 |
11 |
0 |
0 |
0.194 |
26 |
|
[PLP]A:900 |
15 |
1 |
390 |
cf |
A |
x,y,z |
1_555 |
35 |
16 |
22198 |
228.7 |
-0.4 |
0.549 |
11 |
0 |
0 |
0.194 |
Average: |
230.6 |
-0.2 |
0.568 |
11 |
0 |
0 |
0.194 |
9 |
27 |
|
A |
23 |
9 |
22198 |
◊ |
D |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
17 |
4 |
22318 |
187.5 |
-1.9 |
0.321 |
1 |
0 |
0 |
0.000 |
10 |
28 |
|
A |
12 |
4 |
22198 |
◊ |
C |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
10 |
5 |
21554 |
109.7 |
-2.5 |
0.128 |
0 |
0 |
0 |
0.000 |
11 |
29 |
|
B |
11 |
3 |
21460 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
8_456 |
14 |
5 |
23173 |
99.8 |
1.0 |
0.787 |
0 |
0 |
0 |
0.000 |
12 |
30 |
|
A |
11 |
4 |
22198 |
◊ |
F |
-x+2,-y+1,z-1/2 |
2_764 |
9 |
2 |
23173 |
95.9 |
-1.2 |
0.298 |
0 |
0 |
0 |
0.000 |
13 |
31 |
|
C |
6 |
3 |
21554 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
8_456 |
12 |
5 |
21460 |
68.9 |
0.3 |
0.617 |
0 |
0 |
0 |
0.000 |
14 |
32 |
|
[CL]F:4006 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
13 |
5 |
23173 |
64.8 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.415 |
33 |
|
[CL]A:4001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
22198 |
64.7 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.415 |
34 |
|
[CL]C:4003 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
21554 |
64.3 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.415 |
35 |
|
[CL]B:4002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
21460 |
63.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.415 |
36 |
|
[CL]E:4005 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
21641 |
62.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.415 |
37 |
|
[CL]D:4004 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
22318 |
62.1 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.415 |
Average: |
63.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.415 |
15 |
38 |
|
D |
7 |
3 |
22318 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
8_456 |
5 |
3 |
23173 |
54.4 |
-1.1 |
0.223 |
0 |
0 |
0 |
0.000 |
16 |
39 |
|
[PLP]E:900 |
6 |
1 |
396 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
8 |
2 |
21641 |
50.6 |
-1.4 |
0.450 |
1 |
0 |
0 |
0.041 |
40 |
|
[PLP]B:900 |
6 |
1 |
393 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
22198 |
49.7 |
-1.4 |
0.462 |
1 |
0 |
0 |
0.041 |
41 |
|
[PLP]D:900 |
6 |
1 |
391 |
◊ |
C |
x,y,z |
1_555 |
8 |
2 |
21554 |
49.6 |
-1.5 |
0.448 |
1 |
0 |
0 |
0.041 |
42 |
|
[PLP]C:900 |
6 |
1 |
392 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
22318 |
49.6 |
-1.5 |
0.456 |
1 |
0 |
0 |
0.041 |
43 |
|
[PLP]A:900 |
6 |
1 |
390 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
21460 |
49.3 |
-1.5 |
0.441 |
1 |
0 |
0 |
0.041 |
44 |
|
[PLP]F:900 |
6 |
1 |
394 |
◊ |
F |
x,-y+1,-z+1 |
4_566 |
8 |
2 |
23173 |
49.1 |
-1.5 |
0.458 |
1 |
0 |
0 |
0.041 |
Average: |
49.6 |
-1.5 |
0.452 |
1 |
0 |
0 |
0.041 |
17 |
45 |
|
E |
3 |
2 |
21641 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
4 |
2 |
21460 |
48.0 |
-0.9 |
0.201 |
0 |
0 |
0 |
0.010 |
46 |
|
E |
4 |
2 |
21641 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
22318 |
26.3 |
-0.8 |
0.188 |
0 |
0 |
0 |
0.010 |
47 |
|
F |
2 |
1 |
23173 |
◊ |
C |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
21554 |
25.0 |
-0.8 |
0.097 |
0 |
0 |
0 |
0.010 |
48 |
|
F |
2 |
2 |
23173 |
◊ |
A |
x,-y+1,-z+1 |
4_566 |
3 |
2 |
22198 |
16.4 |
-0.7 |
0.187 |
0 |
0 |
0 |
0.010 |
49 |
|
D |
3 |
2 |
22318 |
◊ |
B |
x,-y+1,-z+1 |
4_566 |
3 |
2 |
21460 |
15.7 |
-0.2 |
0.444 |
0 |
0 |
0 |
0.010 |
50 |
|
C |
2 |
1 |
21554 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22198 |
2.5 |
-0.0 |
0.502 |
0 |
0 |
0 |
0.010 |
Average: |
22.3 |
-0.6 |
0.270 |
0 |
0 |
0 |
0.010 |
18 |
51 |
|
A |
4 |
2 |
22198 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
8_456 |
4 |
2 |
22318 |
37.4 |
0.2 |
0.572 |
2 |
2 |
0 |
0.000 |
19 |
52 |
|
[CL]F:4006 |
1 |
1 |
125 |
◊ |
F |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
23173 |
19.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.045 |
53 |
|
[CL]E:4005 |
1 |
1 |
125 |
◊ |
E |
x,-y+1,-z+1 |
4_566 |
1 |
1 |
21641 |
18.5 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
54 |
|
[CL]D:4004 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
21554 |
18.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
55 |
|
[CL]B:4002 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22198 |
18.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
56 |
|
[CL]C:4003 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22318 |
17.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.045 |
57 |
|
[CL]A:4001 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
21460 |
16.7 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
18.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.045 |
20 |
58 |
|
B |
2 |
1 |
21460 |
◊ |
B |
-x+2,y,-z+1/2 |
3_755 |
2 |
1 |
21460 |
18.2 |
-0.4 |
0.276 |
0 |
0 |
0 |
0.000 |
21 |
59 |
|
E |
1 |
1 |
21641 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
4 |
2 |
22198 |
17.6 |
0.1 |
0.424 |
0 |
0 |
0 |
0.000 |
22 |
60 |
|
B |
3 |
1 |
21460 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
8_456 |
3 |
1 |
22318 |
15.8 |
0.2 |
0.691 |
0 |
0 |
0 |
0.000 |
23 |
61 |
|
C |
5 |
4 |
21554 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
8_456 |
3 |
1 |
23173 |
7.9 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
24 |
62 |
|
E |
1 |
1 |
21641 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
8_456 |
1 |
1 |
22318 |
1.8 |
0.1 |
0.779 |
0 |
0 |
0 |
0.000 |
|