## |
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 |
|
C |
138 |
38 |
17249 |
◊ |
A |
x,y,z |
1_555 |
143 |
45 |
17239 |
1413.9 |
-12.9 |
0.088 |
17 |
9 |
0 |
0.421 |
2 |
|
B |
143 |
43 |
17259 |
◊ |
A |
x,y,z |
1_555 |
137 |
38 |
17239 |
1404.7 |
-12.7 |
0.089 |
18 |
9 |
0 |
0.421 |
3 |
|
C |
145 |
45 |
17249 |
◊ |
B |
x,y,z |
1_555 |
133 |
37 |
17259 |
1382.5 |
-13.4 |
0.068 |
17 |
9 |
0 |
0.421 |
Average: |
1400.3 |
-13.0 |
0.082 |
17 |
9 |
0 |
0.421 |
2 |
4 |
|
B |
73 |
23 |
17259 |
x |
B |
x-y+1,x+1,z-1/6 |
2_664 |
80 |
26 |
17259 |
699.6 |
1.7 |
0.748 |
6 |
2 |
0 |
0.000 |
3 |
5 |
|
C |
71 |
24 |
17249 |
◊ |
B |
x-1,y-1,z |
1_445 |
78 |
27 |
17259 |
669.2 |
2.7 |
0.803 |
8 |
1 |
0 |
0.000 |
6 |
|
C |
65 |
26 |
17249 |
◊ |
A |
x-1,y,z |
1_455 |
52 |
16 |
17239 |
514.9 |
1.5 |
0.737 |
6 |
2 |
0 |
0.000 |
Average: |
592.1 |
2.1 |
0.770 |
7 |
2 |
0 |
0.000 |
4 |
7 |
|
B |
72 |
20 |
17259 |
◊ |
A |
x-y,x+1,z-1/6 |
2_564 |
53 |
14 |
17239 |
522.6 |
1.4 |
0.724 |
4 |
3 |
0 |
0.000 |
5 |
8 |
|
A |
48 |
14 |
17239 |
◊ |
B |
x,y-1,z |
1_545 |
46 |
16 |
17259 |
384.1 |
-1.6 |
0.507 |
2 |
2 |
0 |
0.000 |
6 |
9 |
|
A |
30 |
11 |
17239 |
◊ |
C |
x-y+1,x+1,z-1/6 |
2_664 |
33 |
10 |
17249 |
271.5 |
2.1 |
0.821 |
3 |
2 |
0 |
0.000 |
7 |
10 |
|
[PG0]B:412 |
8 |
1 |
290 |
f |
B |
x,y,z |
1_555 |
31 |
16 |
17259 |
187.5 |
4.2 |
0.205 |
1 |
0 |
0 |
0.000 |
8 |
11 |
|
[PG0]C:411 |
8 |
1 |
288 |
f |
C |
x,y,z |
1_555 |
29 |
16 |
17249 |
186.1 |
5.0 |
0.310 |
1 |
0 |
0 |
0.000 |
9 |
12 |
|
[PEG]A:404 |
7 |
1 |
261 |
f |
A |
x,y,z |
1_555 |
28 |
16 |
17239 |
184.3 |
2.7 |
0.194 |
0 |
0 |
0 |
0.000 |
10 |
13 |
|
[P6G]A:408 |
14 |
1 |
486 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
17239 |
183.9 |
2.9 |
0.444 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
[PEG]B:407 |
7 |
1 |
261 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
17259 |
178.7 |
2.9 |
0.301 |
0 |
0 |
0 |
0.000 |
12 |
15 |
|
[PEG]C:409 |
7 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
23 |
11 |
17249 |
177.9 |
2.4 |
0.237 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
C |
24 |
10 |
17249 |
◊ |
B |
x-y,x,z-1/6 |
2_554 |
20 |
8 |
17259 |
177.6 |
1.0 |
0.740 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[1PE]A:409 |
12 |
1 |
426 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
17239 |
176.2 |
0.6 |
0.649 |
2 |
0 |
0 |
0.000 |
15 |
18 |
|
[PEG]B:409 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
17259 |
176.0 |
4.4 |
0.524 |
1 |
0 |
0 |
0.000 |
16 |
19 |
|
[PG4]A:406 |
13 |
1 |
403 |
◊ |
A |
x,y,z |
1_555 |
17 |
9 |
17239 |
164.0 |
3.5 |
0.273 |
2 |
0 |
0 |
0.000 |
17 |
20 |
|
[PGE]A:405 |
10 |
1 |
340 |
f |
A |
x,y,z |
1_555 |
23 |
9 |
17239 |
163.9 |
3.1 |
0.176 |
1 |
0 |
0 |
0.000 |
18 |
21 |
|
C |
18 |
6 |
17249 |
x |
C |
x-y,x+1,z-1/6 |
2_564 |
21 |
11 |
17249 |
162.5 |
-0.1 |
0.611 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
[1PE]C:407 |
10 |
1 |
415 |
◊ |
C |
x,y,z |
1_555 |
22 |
8 |
17249 |
157.7 |
-0.2 |
0.436 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[1PE]B:408 |
14 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
17259 |
157.0 |
0.2 |
0.662 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
[PEG]C:406 |
7 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
17249 |
155.1 |
3.5 |
0.414 |
2 |
0 |
0 |
0.000 |
22 |
25 |
|
[PGE]C:405 |
10 |
1 |
330 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
17249 |
146.8 |
2.9 |
0.174 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[PG0]B:413 |
8 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
17259 |
133.4 |
3.5 |
0.157 |
0 |
0 |
0 |
0.000 |
24 |
27 |
|
[PGE]A:407 |
10 |
1 |
324 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
17239 |
131.0 |
3.3 |
0.213 |
1 |
0 |
0 |
0.000 |
25 |
28 |
|
[PEG]B:410 |
7 |
1 |
255 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
17259 |
129.3 |
2.6 |
0.293 |
0 |
0 |
0 |
0.000 |
26 |
29 |
|
C |
14 |
8 |
17249 |
◊ |
[P6G]A:408 |
x-1,y,z |
1_455 |
12 |
1 |
486 |
123.5 |
-0.7 |
0.168 |
2 |
0 |
0 |
0.010 |
27 |
30 |
|
B |
17 |
6 |
17259 |
f |
[1PE]B:408 |
x-y+1,x+1,z-1/6 |
2_664 |
9 |
1 |
482 |
122.2 |
-1.1 |
0.407 |
0 |
0 |
0 |
0.007 |
28 |
31 |
|
[FES]A:401 |
4 |
1 |
237 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
17239 |
120.2 |
-16.0 |
0.615 |
2 |
0 |
0 |
0.320 |
32 |
|
[FES]B:401 |
4 |
1 |
235 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
17259 |
119.7 |
-15.9 |
0.617 |
2 |
0 |
0 |
0.320 |
33 |
|
[FES]C:401 |
4 |
1 |
234 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
17249 |
119.1 |
-15.8 |
0.621 |
2 |
0 |
0 |
0.320 |
Average: |
119.7 |
-15.9 |
0.618 |
2 |
0 |
0 |
0.320 |
29 |
34 |
|
[PGE]B:406 |
10 |
1 |
335 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
17259 |
119.5 |
4.1 |
0.174 |
4 |
0 |
0 |
0.000 |
30 |
35 |
|
C |
16 |
5 |
17249 |
◊ |
[1PE]B:408 |
x-y,x,z-1/6 |
2_554 |
10 |
1 |
482 |
114.4 |
-0.9 |
0.382 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
C |
17 |
6 |
17249 |
◊ |
[PG0]A:412 |
x-1,y,z |
1_455 |
7 |
1 |
294 |
111.7 |
3.1 |
0.120 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[MXE]A:411 |
5 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
17239 |
104.5 |
3.2 |
0.242 |
2 |
0 |
0 |
0.000 |
33 |
38 |
|
[PEG]C:404 |
7 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
17249 |
99.6 |
2.9 |
0.253 |
3 |
0 |
0 |
0.000 |
34 |
39 |
|
[CO3]B:411 |
4 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
17259 |
91.3 |
1.3 |
0.644 |
5 |
0 |
0 |
0.006 |
35 |
40 |
|
[1PE]C:407 |
9 |
1 |
415 |
f |
B |
x-1,y-1,z |
1_445 |
10 |
6 |
17259 |
88.4 |
-1.7 |
0.276 |
0 |
0 |
0 |
0.011 |
36 |
41 |
|
[PEG]C:408 |
7 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
17249 |
86.0 |
2.6 |
0.318 |
0 |
0 |
0 |
0.000 |
37 |
42 |
|
[PG0]A:412 |
7 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
17239 |
82.2 |
1.9 |
0.055 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[1PE]A:409 |
8 |
1 |
426 |
f |
A |
x-y,x,z-1/6 |
2_554 |
15 |
6 |
17239 |
81.3 |
-0.5 |
0.532 |
0 |
0 |
0 |
0.003 |
39 |
44 |
|
[MXE]C:410 |
5 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
17249 |
78.5 |
2.3 |
0.195 |
2 |
0 |
0 |
0.000 |
40 |
45 |
|
[CO3]A:410 |
4 |
1 |
165 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
17239 |
73.1 |
1.1 |
0.642 |
2 |
0 |
0 |
0.000 |
41 |
46 |
|
[FE2]A:402 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
17239 |
64.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.241 |
47 |
|
[FE2]B:402 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
17259 |
63.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.241 |
48 |
|
[FE2]C:402 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
17249 |
62.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.241 |
Average: |
63.4 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.241 |
42 |
49 |
|
B |
6 |
2 |
17259 |
f |
[P6G]A:408 |
x-1,y,z |
1_455 |
5 |
1 |
486 |
63.2 |
-1.9 |
0.105 |
0 |
0 |
0 |
0.012 |
43 |
50 |
|
C |
8 |
3 |
17249 |
◊ |
A |
x-y,x+1,z-1/6 |
2_564 |
6 |
3 |
17239 |
61.3 |
-0.2 |
0.517 |
1 |
2 |
0 |
0.000 |
44 |
51 |
|
[1PE]C:407 |
4 |
1 |
415 |
◊ |
A |
x-1,y-1,z |
1_445 |
4 |
2 |
17239 |
54.0 |
-1.5 |
0.168 |
0 |
0 |
0 |
0.010 |
45 |
52 |
|
[MG]B:404 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
17259 |
51.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.043 |
46 |
53 |
|
C |
6 |
3 |
17249 |
f |
[PEG]B:410 |
x-y,x,z-1/6 |
2_554 |
7 |
1 |
255 |
49.1 |
1.5 |
0.181 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[PG0]B:413 |
2 |
1 |
297 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
17239 |
45.9 |
1.0 |
0.417 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[MG]B:405 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
17259 |
45.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.029 |
49 |
56 |
|
[MG]C:403 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
17249 |
45.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.106 |
57 |
|
[MG]A:403 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
17239 |
45.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.106 |
58 |
|
[MG]B:403 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
17259 |
43.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
44.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.106 |
50 |
59 |
|
A |
8 |
3 |
17239 |
x |
A |
x-y,x,z-1/6 |
2_554 |
6 |
2 |
17239 |
41.4 |
0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
51 |
60 |
|
[PEG]C:404 |
3 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
17239 |
38.5 |
1.1 |
0.357 |
0 |
0 |
0 |
0.000 |
52 |
61 |
|
[PG4]A:406 |
4 |
1 |
403 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
17259 |
37.8 |
1.1 |
0.380 |
0 |
0 |
0 |
0.000 |
53 |
62 |
|
[PGE]B:406 |
4 |
1 |
335 |
f |
C |
x,y,z |
1_555 |
4 |
1 |
17249 |
36.8 |
1.1 |
0.276 |
0 |
0 |
0 |
0.000 |
54 |
63 |
|
C |
6 |
2 |
17249 |
◊ |
[CO3]A:410 |
x-1,y,z |
1_455 |
3 |
1 |
165 |
36.2 |
0.2 |
0.276 |
0 |
0 |
0 |
0.000 |
55 |
64 |
|
[PG0]B:412 |
1 |
1 |
290 |
◊ |
[PEG]B:407 |
x,y,z |
1_555 |
2 |
1 |
261 |
31.6 |
1.7 |
0.535 |
0 |
0 |
0 |
0.000 |
56 |
65 |
|
C |
4 |
2 |
17249 |
f |
[MXE]A:411 |
x-1,y,z |
1_455 |
4 |
1 |
220 |
29.6 |
1.3 |
0.083 |
0 |
0 |
0 |
0.000 |
57 |
66 |
|
[PG0]C:411 |
2 |
1 |
288 |
◊ |
[PEG]C:409 |
x,y,z |
1_555 |
2 |
1 |
260 |
29.3 |
0.6 |
0.149 |
0 |
0 |
0 |
0.000 |
58 |
67 |
|
C |
5 |
2 |
17249 |
◊ |
[MG]B:405 |
x-1,y-1,z |
1_445 |
1 |
1 |
98 |
26.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
68 |
|
[PEG]B:409 |
3 |
1 |
257 |
f |
A |
x-y,x+1,z-1/6 |
2_564 |
1 |
1 |
17239 |
25.4 |
1.8 |
0.471 |
0 |
0 |
0 |
0.000 |
60 |
69 |
|
[PG0]B:412 |
4 |
1 |
290 |
f |
[FE2]B:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.012 |
61 |
70 |
|
[MG]B:404 |
1 |
1 |
98 |
◊ |
B |
x-y+1,x+1,z-1/6 |
2_664 |
6 |
3 |
17259 |
24.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
71 |
|
[PG0]C:411 |
6 |
1 |
288 |
f |
[FE2]C:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
24.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.013 |
63 |
72 |
|
[MXE]C:410 |
2 |
1 |
218 |
f |
B |
x-1,y-1,z |
1_445 |
5 |
2 |
17259 |
23.8 |
0.9 |
0.289 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
[PEG]A:404 |
5 |
1 |
261 |
f |
[FE2]A:402 |
x,y,z |
1_555 |
1 |
1 |
137 |
23.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.014 |
65 |
74 |
|
[MG]B:405 |
1 |
1 |
98 |
◊ |
B |
x-y+1,x+1,z-1/6 |
2_664 |
3 |
3 |
17259 |
22.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
75 |
|
[MG]C:403 |
1 |
1 |
98 |
◊ |
B |
x-1,y-1,z |
1_445 |
3 |
1 |
17259 |
18.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
76 |
|
[PEG]B:407 |
2 |
1 |
261 |
◊ |
[1PE]B:408 |
x-y+1,x+1,z-1/6 |
2_664 |
2 |
1 |
482 |
12.9 |
-0.3 |
0.253 |
0 |
0 |
0 |
0.000 |
68 |
77 |
|
[CO3]A:410 |
2 |
1 |
165 |
f |
[MG]A:403 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.1 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.008 |
69 |
78 |
|
[PG0]A:412 |
1 |
1 |
294 |
f |
C |
x-y+1,x+1,z-1/6 |
2_664 |
1 |
1 |
17249 |
9.8 |
0.3 |
0.462 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[PEG]C:409 |
2 |
1 |
260 |
◊ |
[PG0]A:412 |
x-1,y,z |
1_455 |
2 |
1 |
294 |
9.1 |
0.5 |
0.126 |
0 |
0 |
0 |
0.000 |
71 |
80 |
|
[FES]A:401 |
3 |
1 |
237 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
17259 |
8.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
81 |
|
[FES]B:401 |
3 |
1 |
235 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
17249 |
8.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
82 |
|
[FES]C:401 |
3 |
1 |
234 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
17239 |
7.4 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
8.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
72 |
83 |
|
C |
2 |
2 |
17249 |
f |
[PEG]B:407 |
x-1,y-1,z |
1_445 |
1 |
1 |
261 |
5.3 |
-0.1 |
0.315 |
0 |
0 |
0 |
0.000 |
73 |
84 |
|
[PEG]C:409 |
1 |
1 |
260 |
f |
A |
x-1,y,z |
1_455 |
1 |
1 |
17239 |
2.4 |
0.1 |
0.457 |
0 |
0 |
0 |
0.000 |
74 |
85 |
|
A |
1 |
1 |
17239 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
17259 |
2.1 |
0.1 |
0.738 |
0 |
0 |
0 |
0.000 |
|