| ## |
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 |
469 |
117 |
24329 |
◊ |
C |
x,y,z |
1_555 |
459 |
126 |
19762 |
4456.7 |
-55.0 |
0.007 |
53 |
19 |
0 |
0.595 |
2 |
|
B |
474 |
117 |
24319 |
◊ |
A |
x,y,z |
1_555 |
459 |
128 |
19789 |
4451.8 |
-54.9 |
0.007 |
56 |
18 |
0 |
0.595 |
| Average: |
4454.2 |
-54.9 |
0.007 |
55 |
19 |
0 |
0.595 |
| 2 |
3 |
|
D |
316 |
78 |
24329 |
◊ |
B |
x,y,z |
1_555 |
312 |
80 |
24319 |
2943.5 |
-20.5 |
0.405 |
41 |
34 |
0 |
0.691 |
| 3 |
4 |
|
F |
204 |
54 |
13167 |
◊ |
E |
x,y,z |
1_555 |
191 |
56 |
13307 |
1823.0 |
-12.9 |
0.127 |
26 |
20 |
0 |
0.617 |
| 4 |
5 |
|
D |
144 |
38 |
24329 |
◊ |
A |
x,y,z |
1_555 |
151 |
39 |
19789 |
1290.5 |
-16.4 |
0.133 |
12 |
6 |
0 |
0.384 |
6 |
|
B |
141 |
36 |
24319 |
◊ |
C |
x,y,z |
1_555 |
149 |
39 |
19762 |
1275.6 |
-16.6 |
0.126 |
13 |
6 |
0 |
0.384 |
| Average: |
1283.1 |
-16.5 |
0.129 |
13 |
6 |
0 |
0.384 |
| 5 |
7 |
|
F |
82 |
24 |
13167 |
◊ |
B |
x,y,z |
1_555 |
70 |
22 |
24319 |
678.6 |
5.8 |
0.928 |
16 |
4 |
0 |
0.000 |
| 6 |
8 |
|
F |
56 |
19 |
13167 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
19789 |
441.4 |
-5.1 |
0.219 |
2 |
0 |
0 |
0.000 |
| 7 |
9 |
|
A |
40 |
10 |
19789 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
33 |
11 |
19762 |
361.5 |
0.3 |
0.726 |
3 |
3 |
0 |
0.000 |
| 8 |
10 |
|
D |
44 |
20 |
24329 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
39 |
15 |
24329 |
322.4 |
2.2 |
0.870 |
3 |
3 |
0 |
0.000 |
| 9 |
11 |
|
[CFN]A:2496 |
17 |
1 |
491 |
f |
A |
x,y,z |
1_555 |
49 |
17 |
19789 |
316.2 |
-18.4 |
0.766 |
5 |
0 |
0 |
0.350 |
12 |
|
[CFN]C:3496 |
17 |
1 |
491 |
f |
C |
x,y,z |
1_555 |
47 |
17 |
19762 |
314.4 |
-18.4 |
0.775 |
5 |
0 |
0 |
0.350 |
| Average: |
315.3 |
-18.4 |
0.770 |
5 |
0 |
0 |
0.350 |
| 10 |
13 |
|
E |
30 |
9 |
13307 |
◊ |
B |
x,y,z |
1_555 |
31 |
11 |
24319 |
286.3 |
-2.7 |
0.331 |
2 |
0 |
0 |
0.000 |
| 11 |
14 |
|
C |
26 |
9 |
19762 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
36 |
12 |
13307 |
267.7 |
-1.7 |
0.403 |
2 |
4 |
0 |
0.000 |
| 12 |
15 |
|
E |
36 |
12 |
13307 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
20 |
4 |
24329 |
243.7 |
-3.5 |
0.127 |
1 |
1 |
0 |
0.000 |
| 13 |
16 |
|
[PGE]B:5005 |
10 |
1 |
345 |
f |
B |
x,y,z |
1_555 |
33 |
8 |
24319 |
224.8 |
7.5 |
0.550 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[P6G]D:5009 |
17 |
1 |
529 |
f |
D |
x,y,z |
1_555 |
27 |
12 |
24329 |
222.5 |
-1.3 |
0.281 |
4 |
0 |
0 |
0.076 |
| 15 |
18 |
|
E |
31 |
10 |
13307 |
◊ |
C |
-x+1/2,-y+1,z-1/2 |
2_564 |
21 |
9 |
19762 |
222.5 |
4.8 |
0.853 |
5 |
3 |
0 |
0.000 |
| 16 |
19 |
|
[PGE]D:5006 |
10 |
1 |
335 |
◊ |
D |
x,y,z |
1_555 |
34 |
8 |
24329 |
206.7 |
5.5 |
0.416 |
3 |
0 |
0 |
0.000 |
| 17 |
20 |
|
[HCA]C:3494 |
13 |
1 |
343 |
f |
C |
x,y,z |
1_555 |
37 |
16 |
19762 |
203.9 |
2.0 |
0.503 |
4 |
0 |
0 |
0.000 |
21 |
|
[HCA]A:2494 |
13 |
1 |
344 |
f |
A |
x,y,z |
1_555 |
36 |
16 |
19789 |
202.9 |
2.0 |
0.500 |
4 |
0 |
0 |
0.000 |
| Average: |
203.4 |
2.0 |
0.502 |
4 |
0 |
0 |
0.000 |
| 18 |
22 |
|
[1PE]B:5017 |
15 |
1 |
452 |
f |
B |
x,y,z |
1_555 |
29 |
11 |
24319 |
203.3 |
-0.8 |
0.494 |
2 |
0 |
0 |
0.029 |
| 19 |
23 |
|
B |
20 |
4 |
24319 |
x |
B |
x,y-1,z |
1_545 |
21 |
7 |
24319 |
187.9 |
-0.5 |
0.617 |
1 |
2 |
0 |
0.000 |
| 20 |
24 |
|
[PGE]D:5010 |
10 |
1 |
333 |
f |
D |
x,y,z |
1_555 |
31 |
10 |
24329 |
184.6 |
3.5 |
0.215 |
0 |
0 |
0 |
0.000 |
| 21 |
25 |
|
[PGE]A:5015 |
10 |
1 |
349 |
f |
A |
x,y,z |
1_555 |
27 |
8 |
19789 |
180.9 |
3.8 |
0.248 |
0 |
0 |
0 |
0.000 |
| 22 |
26 |
|
[CLF]C:3498 |
12 |
1 |
453 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
19762 |
180.0 |
-18.6 |
0.079 |
0 |
0 |
0 |
0.310 |
27 |
|
[CLF]B:2498 |
12 |
1 |
452 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
19789 |
179.4 |
-18.3 |
0.083 |
0 |
0 |
0 |
0.310 |
| Average: |
179.7 |
-18.4 |
0.081 |
0 |
0 |
0 |
0.310 |
| 23 |
28 |
|
[CLF]B:2498 |
12 |
1 |
452 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
24319 |
179.0 |
-17.8 |
0.087 |
0 |
0 |
0 |
0.130 |
29 |
|
[CLF]C:3498 |
12 |
1 |
453 |
◊ |
D |
x,y,z |
1_555 |
24 |
11 |
24329 |
177.4 |
-17.7 |
0.073 |
0 |
0 |
0 |
0.130 |
| Average: |
178.2 |
-17.8 |
0.080 |
0 |
0 |
0 |
0.130 |
| 24 |
30 |
|
[P6G]D:5009 |
15 |
1 |
529 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
5 |
24329 |
177.8 |
2.7 |
0.628 |
1 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[PGE]C:5011 |
10 |
1 |
347 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
19762 |
175.7 |
5.8 |
0.378 |
2 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[PGE]C:5016 |
9 |
1 |
331 |
◊ |
C |
x,y,z |
1_555 |
23 |
9 |
19762 |
164.5 |
3.7 |
0.269 |
1 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[1PE]C:5013 |
12 |
1 |
406 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
24319 |
156.2 |
-1.0 |
0.571 |
2 |
0 |
0 |
0.032 |
| 28 |
34 |
|
[PG4]E:5007 |
12 |
1 |
384 |
f |
E |
x,y,z |
1_555 |
15 |
6 |
13307 |
155.2 |
4.5 |
0.373 |
1 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[PG4]B:5014 |
12 |
1 |
413 |
f |
B |
x,y,z |
1_555 |
21 |
6 |
24319 |
153.3 |
3.4 |
0.254 |
3 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[PG4]B:5014 |
13 |
1 |
413 |
◊ |
F |
x,y,z |
1_555 |
28 |
7 |
13167 |
147.9 |
4.1 |
0.262 |
1 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[PEG]D:5020 |
7 |
1 |
259 |
◊ |
D |
x,y,z |
1_555 |
25 |
10 |
24329 |
139.5 |
3.7 |
0.436 |
2 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[TRS]B:5003 |
7 |
1 |
251 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
24319 |
131.3 |
2.3 |
0.095 |
4 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[1PE]C:5013 |
8 |
1 |
406 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
19762 |
126.3 |
-0.5 |
0.595 |
1 |
0 |
0 |
0.015 |
| 34 |
40 |
|
B |
16 |
6 |
24319 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
15 |
4 |
13167 |
125.4 |
1.1 |
0.765 |
2 |
1 |
0 |
0.000 |
| 35 |
41 |
|
[SF4]E:3290 |
8 |
1 |
306 |
f |
F |
x,y,z |
1_555 |
18 |
9 |
13167 |
125.0 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.256 |
| 36 |
42 |
|
[SF4]E:3290 |
8 |
1 |
306 |
◊ |
E |
x,y,z |
1_555 |
17 |
10 |
13307 |
124.7 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.253 |
| 37 |
43 |
|
[PGE]A:5012 |
9 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
17 |
4 |
19789 |
114.1 |
3.5 |
0.221 |
0 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[PGE]D:5008 |
8 |
1 |
336 |
◊ |
D |
x,y,z |
1_555 |
18 |
4 |
24329 |
109.7 |
3.6 |
0.303 |
0 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[PEG]B:5018 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
17 |
7 |
24319 |
108.6 |
2.8 |
0.333 |
1 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[PEG]D:5019 |
7 |
1 |
248 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
24329 |
105.8 |
2.5 |
0.277 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[TRS]C:5004 |
6 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
19762 |
104.6 |
3.0 |
0.181 |
2 |
0 |
0 |
0.000 |
| 42 |
48 |
|
C |
12 |
3 |
19762 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
2 |
13167 |
81.6 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
| 43 |
49 |
|
B |
12 |
4 |
24319 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
2 |
13307 |
78.3 |
0.1 |
0.635 |
0 |
0 |
0 |
0.000 |
| 44 |
50 |
|
A |
7 |
3 |
19789 |
◊ |
B |
x,y-1,z |
1_545 |
13 |
4 |
24319 |
78.1 |
-0.9 |
0.424 |
0 |
0 |
0 |
0.000 |
| 45 |
51 |
|
D |
6 |
2 |
24329 |
◊ |
F |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
3 |
13167 |
67.7 |
-0.3 |
0.529 |
1 |
0 |
0 |
0.000 |
| 46 |
52 |
|
[CFN]A:2496 |
7 |
1 |
491 |
f |
[HCA]A:2494 |
x,y,z |
1_555 |
7 |
1 |
344 |
66.1 |
-3.5 |
0.424 |
0 |
0 |
0 |
0.059 |
53 |
|
[CFN]C:3496 |
7 |
1 |
491 |
f |
[HCA]C:3494 |
x,y,z |
1_555 |
7 |
1 |
343 |
65.6 |
-3.5 |
0.418 |
0 |
0 |
0 |
0.059 |
| Average: |
65.8 |
-3.5 |
0.421 |
0 |
0 |
0 |
0.059 |
| 47 |
54 |
|
[1PE]B:5017 |
5 |
1 |
452 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
4 |
13307 |
60.4 |
1.5 |
0.730 |
0 |
0 |
0 |
0.000 |
| 48 |
55 |
|
A |
6 |
2 |
19789 |
◊ |
E |
x-1/2,-y+3/2,-z |
4_465 |
5 |
3 |
13307 |
57.3 |
1.0 |
0.807 |
1 |
1 |
0 |
0.000 |
| 49 |
56 |
|
A |
10 |
3 |
19789 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
8 |
4 |
13307 |
56.2 |
0.4 |
0.667 |
0 |
0 |
0 |
0.000 |
| 50 |
57 |
|
[NA]B:2492 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
3 |
24319 |
52.3 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.108 |
| 51 |
58 |
|
E |
4 |
3 |
13307 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
19789 |
47.9 |
1.5 |
0.775 |
1 |
0 |
0 |
0.000 |
| 52 |
59 |
|
[HCA]C:3494 |
7 |
1 |
343 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
24329 |
45.5 |
1.2 |
0.527 |
0 |
0 |
0 |
0.000 |
60 |
|
[HCA]A:2494 |
7 |
1 |
344 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
24319 |
43.7 |
1.2 |
0.539 |
0 |
0 |
0 |
0.000 |
| Average: |
44.6 |
1.2 |
0.533 |
0 |
0 |
0 |
0.000 |
| 53 |
61 |
|
[PEG]D:5020 |
5 |
1 |
259 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
19789 |
42.1 |
-0.1 |
0.108 |
0 |
0 |
0 |
0.001 |
| 54 |
62 |
|
[PGE]D:5008 |
3 |
1 |
336 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
19762 |
38.6 |
1.2 |
0.338 |
0 |
0 |
0 |
0.000 |
| 55 |
63 |
|
[PEG]D:5019 |
3 |
1 |
248 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
19762 |
35.5 |
0.5 |
0.245 |
0 |
0 |
0 |
0.000 |
| 56 |
64 |
|
D |
4 |
1 |
24329 |
x |
D |
x,y-1,z |
1_545 |
3 |
1 |
24329 |
29.5 |
0.5 |
0.791 |
1 |
1 |
0 |
0.000 |
| 57 |
65 |
|
[CA]B:2491 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
24329 |
28.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.164 |
66 |
|
[CA]D:2490 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
24319 |
27.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.164 |
| Average: |
28.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.164 |
| 58 |
67 |
|
[PEG]B:5018 |
2 |
1 |
261 |
f |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
13307 |
28.5 |
1.1 |
0.528 |
0 |
0 |
0 |
0.000 |
| 59 |
68 |
|
[PEG]D:5019 |
2 |
1 |
248 |
◊ |
D |
x,y-1,z |
1_545 |
2 |
1 |
24329 |
28.3 |
1.3 |
0.557 |
0 |
0 |
0 |
0.000 |
| 60 |
69 |
|
[CA]D:2490 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
24329 |
25.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.151 |
70 |
|
[CA]B:2491 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
24319 |
25.5 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.151 |
| Average: |
25.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.151 |
| 61 |
71 |
|
[PGE]D:5008 |
2 |
1 |
336 |
f |
D |
x,y-1,z |
1_545 |
3 |
1 |
24329 |
25.0 |
0.1 |
0.241 |
0 |
0 |
0 |
0.000 |
| 62 |
72 |
|
D |
3 |
3 |
24329 |
f |
[PGE]D:5006 |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
335 |
23.3 |
0.6 |
0.261 |
0 |
0 |
0 |
0.000 |
| 63 |
73 |
|
[PGE]C:5016 |
2 |
1 |
331 |
f |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
13307 |
18.4 |
0.4 |
0.309 |
0 |
0 |
0 |
0.000 |
| 64 |
74 |
|
[CA]B:2491 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
19762 |
17.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
75 |
|
[CA]D:2490 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
19789 |
17.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
17.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.018 |
| 65 |
76 |
|
C |
3 |
2 |
19762 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
2 |
24329 |
13.0 |
0.0 |
0.651 |
0 |
0 |
0 |
0.000 |
| 66 |
77 |
|
[NA]B:2492 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
19789 |
7.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.007 |
| 67 |
78 |
|
D |
1 |
1 |
24329 |
◊ |
E |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
13307 |
3.8 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
| 68 |
79 |
|
A |
1 |
1 |
19789 |
◊ |
F |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
13167 |
2.2 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| 69 |
80 |
|
C |
1 |
1 |
19762 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
19789 |
0.4 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
|