## |
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 |
388 |
102 |
17814 |
◊ |
A |
x,y,z |
1_555 |
376 |
99 |
17870 |
3638.8 |
-47.1 |
0.003 |
55 |
20 |
0 |
0.863 |
2 |
|
D |
380 |
103 |
17849 |
◊ |
C |
x,y,z |
1_555 |
382 |
99 |
17702 |
3608.9 |
-46.2 |
0.003 |
54 |
20 |
0 |
0.863 |
Average: |
3623.8 |
-46.7 |
0.003 |
55 |
20 |
0 |
0.863 |
2 |
3 |
|
C |
55 |
15 |
17702 |
◊ |
B |
-x-1,-y,z |
2_455 |
60 |
14 |
17814 |
577.9 |
-3.4 |
0.431 |
8 |
4 |
0 |
0.000 |
3 |
4 |
|
B |
51 |
14 |
17814 |
◊ |
D |
x,y,z-1 |
1_554 |
54 |
12 |
17849 |
548.3 |
-4.0 |
0.351 |
9 |
4 |
0 |
0.000 |
4 |
5 |
|
C |
61 |
12 |
17702 |
◊ |
B |
-x,-y,z |
2_555 |
58 |
18 |
17814 |
547.6 |
-4.4 |
0.336 |
6 |
0 |
0 |
0.000 |
5 |
6 |
|
B |
42 |
13 |
17814 |
◊ |
B |
-x-1,-y,z |
2_455 |
42 |
13 |
17814 |
332.3 |
-1.5 |
0.544 |
2 |
2 |
0 |
0.000 |
6 |
7 |
|
D |
30 |
11 |
17849 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
35 |
9 |
17870 |
300.2 |
-1.6 |
0.493 |
1 |
0 |
0 |
0.000 |
7 |
8 |
|
C |
32 |
8 |
17702 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
29 |
8 |
17870 |
294.5 |
-1.5 |
0.478 |
3 |
3 |
0 |
0.000 |
8 |
9 |
|
C |
44 |
12 |
17702 |
◊ |
A |
-x,-y,z |
2_555 |
31 |
8 |
17870 |
287.3 |
-0.7 |
0.617 |
1 |
2 |
0 |
0.000 |
9 |
10 |
|
[PLP]B:501 |
15 |
1 |
385 |
cf |
B |
x,y,z |
1_555 |
39 |
16 |
17814 |
222.8 |
1.8 |
0.684 |
6 |
0 |
0 |
0.028 |
11 |
|
[PLP]D:501 |
15 |
1 |
385 |
cf |
D |
x,y,z |
1_555 |
36 |
15 |
17849 |
217.8 |
1.4 |
0.683 |
6 |
0 |
0 |
0.028 |
12 |
|
[PLP]A:501 |
15 |
1 |
387 |
cf |
A |
x,y,z |
1_555 |
39 |
15 |
17870 |
209.2 |
1.5 |
0.680 |
6 |
0 |
0 |
0.028 |
Average: |
216.6 |
1.6 |
0.683 |
6 |
0 |
0 |
0.028 |
10 |
13 |
|
[PLP]C:501 |
15 |
1 |
385 |
cf |
C |
x,y,z |
1_555 |
37 |
15 |
17702 |
218.0 |
1.5 |
0.682 |
6 |
0 |
0 |
0.084 |
11 |
14 |
|
[CIT]D:504 |
11 |
1 |
307 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
17849 |
164.6 |
1.9 |
0.536 |
4 |
0 |
0 |
0.000 |
12 |
15 |
|
[CIT]D:506 |
12 |
1 |
309 |
f |
D |
x,y,z |
1_555 |
25 |
9 |
17849 |
162.3 |
1.4 |
0.469 |
4 |
0 |
0 |
0.007 |
13 |
16 |
|
[CIT]A:503 |
12 |
1 |
311 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
17870 |
158.2 |
0.7 |
0.444 |
7 |
0 |
0 |
0.028 |
14 |
17 |
|
[CIT]C:509 |
12 |
1 |
318 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
17702 |
151.5 |
0.7 |
0.446 |
3 |
0 |
0 |
0.043 |
15 |
18 |
|
[PEG]A:508 |
7 |
1 |
255 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
17870 |
151.0 |
2.7 |
0.315 |
0 |
0 |
0 |
0.000 |
16 |
19 |
|
[PEG]B:505 |
7 |
1 |
257 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
17814 |
148.0 |
2.5 |
0.320 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[CIT]C:506 |
12 |
1 |
312 |
◊ |
C |
x,y,z |
1_555 |
25 |
10 |
17702 |
143.7 |
3.5 |
0.762 |
5 |
0 |
0 |
0.000 |
18 |
21 |
|
[CIT]D:505 |
12 |
1 |
315 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
17849 |
140.8 |
2.2 |
0.459 |
4 |
0 |
0 |
0.003 |
22 |
|
[CIT]B:502 |
12 |
1 |
319 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
17814 |
135.7 |
2.0 |
0.585 |
5 |
0 |
0 |
0.003 |
Average: |
138.3 |
2.1 |
0.522 |
5 |
0 |
0 |
0.003 |
19 |
23 |
|
[PEG]A:504 |
7 |
1 |
267 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
17870 |
138.4 |
2.0 |
0.257 |
1 |
0 |
0 |
0.000 |
20 |
24 |
|
[CIT]A:506 |
10 |
1 |
318 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17870 |
134.4 |
0.8 |
0.465 |
3 |
0 |
0 |
0.007 |
21 |
25 |
|
[PEG]A:511 |
7 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
17870 |
132.4 |
1.4 |
0.216 |
2 |
0 |
0 |
0.000 |
22 |
26 |
|
[GOL]A:505 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
17870 |
127.1 |
-0.0 |
0.595 |
4 |
0 |
0 |
0.021 |
23 |
27 |
|
[PEG]C:510 |
7 |
1 |
265 |
◊ |
C |
x,y,z |
1_555 |
22 |
5 |
17702 |
126.6 |
3.3 |
0.378 |
1 |
0 |
0 |
0.000 |
24 |
28 |
|
[GOL]C:504 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
17702 |
121.9 |
1.6 |
0.663 |
4 |
0 |
0 |
0.013 |
25 |
29 |
|
C |
17 |
5 |
17702 |
◊ |
C |
-x,-y,z |
2_555 |
16 |
5 |
17702 |
120.7 |
0.5 |
0.713 |
0 |
2 |
0 |
0.000 |
26 |
30 |
|
[GOL]A:507 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
20 |
9 |
17870 |
118.6 |
-0.5 |
0.498 |
6 |
0 |
0 |
0.037 |
27 |
31 |
|
B |
11 |
6 |
17814 |
◊ |
D |
-x,-y,z-1 |
2_554 |
16 |
6 |
17849 |
112.7 |
-0.4 |
0.565 |
1 |
1 |
0 |
0.000 |
28 |
32 |
|
[GOL]B:506 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
17814 |
109.5 |
-0.3 |
0.555 |
2 |
0 |
0 |
0.014 |
29 |
33 |
|
[GOL]C:502 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
17702 |
106.7 |
-0.2 |
0.532 |
3 |
0 |
0 |
0.105 |
34 |
|
[GOL]A:502 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
17870 |
106.3 |
0.2 |
0.628 |
6 |
0 |
0 |
0.105 |
Average: |
106.5 |
-0.0 |
0.580 |
5 |
0 |
0 |
0.105 |
30 |
35 |
|
[CIT]C:505 |
9 |
1 |
316 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
17702 |
104.9 |
0.8 |
0.470 |
5 |
0 |
0 |
0.099 |
31 |
36 |
|
[GOL]D:503 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
17849 |
102.8 |
-0.7 |
0.492 |
3 |
0 |
0 |
0.045 |
32 |
37 |
|
A |
11 |
4 |
17870 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
13 |
3 |
17870 |
102.6 |
2.3 |
0.910 |
1 |
1 |
0 |
0.000 |
33 |
38 |
|
D |
9 |
3 |
17849 |
◊ |
A |
-x,-y,z |
2_555 |
12 |
4 |
17870 |
95.8 |
0.1 |
0.513 |
2 |
0 |
0 |
0.000 |
34 |
39 |
|
[PEG]B:503 |
7 |
1 |
260 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
17814 |
92.9 |
2.7 |
0.292 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
[PEG]A:509 |
7 |
1 |
263 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
17870 |
89.0 |
1.4 |
0.202 |
1 |
0 |
0 |
0.000 |
36 |
41 |
|
[GOL]A:510 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
17870 |
88.8 |
-0.7 |
0.450 |
2 |
0 |
0 |
0.019 |
37 |
42 |
|
[CIT]C:505 |
7 |
1 |
316 |
◊ |
A |
-x,-y,z |
2_555 |
12 |
5 |
17870 |
87.9 |
-0.2 |
0.358 |
2 |
0 |
0 |
0.000 |
38 |
43 |
|
[CIT]B:502 |
9 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
17870 |
85.6 |
1.8 |
0.690 |
3 |
0 |
0 |
0.015 |
44 |
|
[CIT]D:505 |
9 |
1 |
315 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
17702 |
82.6 |
2.0 |
0.605 |
5 |
0 |
0 |
0.015 |
Average: |
84.1 |
1.9 |
0.647 |
4 |
0 |
0 |
0.015 |
39 |
45 |
|
[PEG]C:508 |
7 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
17702 |
82.2 |
1.9 |
0.269 |
1 |
0 |
0 |
0.000 |
40 |
46 |
|
[GOL]D:502 |
6 |
1 |
215 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
17849 |
80.9 |
0.3 |
0.671 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[GOL]C:503 |
5 |
1 |
225 |
f |
C |
x,y,z |
1_555 |
12 |
3 |
17702 |
80.8 |
-1.2 |
0.371 |
0 |
0 |
0 |
0.082 |
42 |
48 |
|
[PEG]B:504 |
6 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17870 |
79.2 |
1.5 |
0.237 |
1 |
0 |
0 |
0.000 |
43 |
49 |
|
[PEG]C:507 |
5 |
1 |
263 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
17702 |
72.3 |
2.0 |
0.387 |
1 |
0 |
0 |
0.000 |
44 |
50 |
|
[PEG]A:509 |
5 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
10 |
2 |
17814 |
71.8 |
0.4 |
0.194 |
0 |
0 |
0 |
0.000 |
45 |
51 |
|
[PEG]B:504 |
5 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
17814 |
71.3 |
1.2 |
0.275 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[PEG]A:512 |
6 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17870 |
69.1 |
0.9 |
0.145 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[CIT]C:506 |
7 |
1 |
312 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
17849 |
67.4 |
-0.3 |
0.406 |
0 |
0 |
0 |
0.007 |
48 |
54 |
|
[GOL]A:510 |
5 |
1 |
221 |
◊ |
C |
-x,-y,z |
2_555 |
11 |
4 |
17702 |
66.8 |
0.5 |
0.729 |
3 |
0 |
0 |
0.000 |
49 |
55 |
|
[CIT]A:503 |
7 |
1 |
311 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
17814 |
60.8 |
0.3 |
0.439 |
3 |
0 |
0 |
0.011 |
50 |
56 |
|
[CIT]A:503 |
8 |
1 |
311 |
f |
[PLP]A:501 |
x,y,z |
1_555 |
9 |
1 |
387 |
56.1 |
0.9 |
0.409 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
D |
5 |
2 |
17849 |
◊ |
A |
-x-1/2,y-1/2,-z+1 |
3_446 |
8 |
2 |
17870 |
51.5 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
[GOL]C:503 |
4 |
1 |
225 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
17849 |
49.6 |
-0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[PEG]C:508 |
5 |
1 |
257 |
f |
[PEG]C:507 |
x,y,z |
1_555 |
4 |
1 |
263 |
49.1 |
2.5 |
0.166 |
0 |
0 |
0 |
0.000 |
54 |
60 |
|
[PLP]B:501 |
6 |
1 |
385 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
17870 |
49.0 |
-2.0 |
0.348 |
2 |
0 |
0 |
0.068 |
61 |
|
[PLP]D:501 |
6 |
1 |
385 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17702 |
48.2 |
-2.2 |
0.356 |
2 |
0 |
0 |
0.068 |
62 |
|
[PLP]A:501 |
6 |
1 |
387 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
17814 |
46.2 |
-2.0 |
0.358 |
2 |
0 |
0 |
0.068 |
Average: |
47.8 |
-2.1 |
0.354 |
2 |
0 |
0 |
0.068 |
55 |
63 |
|
[PLP]C:501 |
6 |
1 |
385 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
17849 |
47.8 |
-2.2 |
0.346 |
2 |
0 |
0 |
0.036 |
56 |
64 |
|
[CIT]C:505 |
5 |
1 |
316 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
17849 |
43.5 |
0.5 |
0.520 |
2 |
0 |
0 |
0.004 |
57 |
65 |
|
[CIT]B:502 |
7 |
1 |
319 |
f |
[GOL]A:502 |
x,y,z |
1_555 |
5 |
1 |
222 |
43.5 |
-0.1 |
0.382 |
1 |
0 |
0 |
0.006 |
66 |
|
[CIT]D:505 |
7 |
1 |
315 |
f |
[GOL]C:502 |
x,y,z |
1_555 |
4 |
1 |
217 |
39.7 |
0.9 |
0.487 |
1 |
0 |
0 |
0.006 |
Average: |
41.6 |
0.4 |
0.434 |
1 |
0 |
0 |
0.006 |
58 |
67 |
|
[CIT]C:506 |
8 |
1 |
312 |
f |
[GOL]D:503 |
x,y,z |
1_555 |
5 |
1 |
220 |
43.2 |
0.2 |
0.431 |
2 |
0 |
0 |
0.015 |
59 |
68 |
|
[CIT]C:505 |
7 |
1 |
316 |
◊ |
[GOL]A:510 |
-x,-y,z |
2_555 |
3 |
1 |
221 |
40.5 |
0.7 |
0.445 |
0 |
0 |
0 |
0.000 |
60 |
69 |
|
[PEG]C:510 |
2 |
1 |
265 |
f |
B |
-x,-y,z |
2_555 |
7 |
4 |
17814 |
37.6 |
0.7 |
0.452 |
1 |
0 |
0 |
0.000 |
61 |
70 |
|
[PEG]C:507 |
2 |
1 |
263 |
f |
[GOL]D:502 |
x,y,z |
1_555 |
3 |
1 |
215 |
30.1 |
-1.1 |
0.220 |
0 |
0 |
0 |
0.080 |
62 |
71 |
|
[CIT]C:506 |
3 |
1 |
312 |
◊ |
[PLP]C:501 |
x,y,z |
1_555 |
6 |
1 |
385 |
28.3 |
0.8 |
0.481 |
0 |
0 |
0 |
0.000 |
63 |
72 |
|
[GOL]C:503 |
2 |
1 |
225 |
◊ |
A |
-x-1/2,y-1/2,-z |
3_445 |
3 |
1 |
17870 |
28.1 |
-0.6 |
0.266 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
[CIT]D:505 |
3 |
1 |
315 |
◊ |
[PLP]D:501 |
x,y,z |
1_555 |
7 |
1 |
385 |
28.0 |
0.4 |
0.378 |
0 |
0 |
0 |
0.000 |
74 |
|
[CIT]B:502 |
3 |
1 |
319 |
◊ |
[PLP]B:501 |
x,y,z |
1_555 |
6 |
1 |
385 |
23.8 |
-0.1 |
0.389 |
0 |
0 |
0 |
0.000 |
Average: |
25.9 |
0.2 |
0.383 |
0 |
0 |
0 |
0.001 |
65 |
75 |
|
[PEG]B:503 |
2 |
1 |
260 |
◊ |
[PEG]A:509 |
x,y,z |
1_555 |
3 |
1 |
263 |
27.3 |
0.4 |
0.163 |
0 |
0 |
0 |
0.000 |
66 |
76 |
|
[GOL]D:503 |
2 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17702 |
26.7 |
-0.8 |
0.142 |
1 |
0 |
0 |
0.015 |
67 |
77 |
|
[GOL]A:502 |
2 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17814 |
25.4 |
-0.8 |
0.145 |
0 |
0 |
0 |
0.011 |
78 |
|
[GOL]C:502 |
2 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17849 |
21.5 |
-0.5 |
0.236 |
1 |
0 |
0 |
0.011 |
Average: |
23.4 |
-0.7 |
0.190 |
1 |
0 |
0 |
0.011 |
68 |
79 |
|
C |
4 |
2 |
17702 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17814 |
25.3 |
0.5 |
0.787 |
0 |
1 |
0 |
0.000 |
69 |
80 |
|
[GOL]D:502 |
3 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
17702 |
10.7 |
-0.1 |
0.594 |
0 |
0 |
0 |
0.006 |
70 |
81 |
|
[GOL]D:503 |
2 |
1 |
220 |
◊ |
[PLP]C:501 |
x,y,z |
1_555 |
1 |
1 |
385 |
10.4 |
-0.8 |
0.394 |
0 |
0 |
0 |
0.009 |
71 |
82 |
|
[GOL]A:502 |
3 |
1 |
222 |
◊ |
[PLP]B:501 |
x,y,z |
1_555 |
1 |
1 |
385 |
9.5 |
-0.7 |
0.350 |
0 |
0 |
0 |
0.008 |
83 |
|
[GOL]C:502 |
3 |
1 |
217 |
◊ |
[PLP]D:501 |
x,y,z |
1_555 |
1 |
1 |
385 |
9.4 |
-0.7 |
0.350 |
0 |
0 |
0 |
0.008 |
Average: |
9.4 |
-0.7 |
0.350 |
0 |
0 |
0 |
0.008 |
72 |
84 |
|
[CIT]D:506 |
1 |
1 |
309 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17702 |
7.7 |
-0.0 |
0.247 |
0 |
0 |
0 |
0.000 |
73 |
85 |
|
[PEG]B:503 |
2 |
1 |
260 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
17870 |
6.3 |
0.3 |
0.325 |
0 |
0 |
0 |
0.000 |
74 |
86 |
|
[PEG]A:508 |
1 |
1 |
255 |
f |
C |
-x,-y,z |
2_555 |
1 |
1 |
17702 |
4.7 |
0.1 |
0.306 |
0 |
0 |
0 |
0.000 |
75 |
87 |
|
[PEG]C:507 |
1 |
1 |
263 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
17849 |
3.5 |
0.0 |
0.346 |
0 |
0 |
0 |
0.000 |
76 |
88 |
|
B |
1 |
1 |
17814 |
◊ |
D |
-x-1,-y,z-1 |
2_454 |
1 |
1 |
17849 |
1.4 |
0.0 |
0.738 |
0 |
0 |
0 |
0.000 |
77 |
89 |
|
[PEG]A:512 |
1 |
1 |
257 |
f |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
17870 |
0.9 |
0.0 |
0.272 |
0 |
0 |
0 |
0.000 |
|