## |
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 |
243 |
61 |
14695 |
◊ |
C |
x,y,z |
1_555 |
237 |
61 |
14749 |
2257.0 |
-26.1 |
0.198 |
33 |
10 |
0 |
0.307 |
2 |
|
B |
238 |
59 |
14799 |
◊ |
A |
x,y,z |
1_555 |
238 |
59 |
14804 |
2250.9 |
-26.0 |
0.150 |
33 |
10 |
0 |
0.307 |
Average: |
2254.0 |
-26.0 |
0.174 |
33 |
10 |
0 |
0.307 |
2 |
3 |
|
D |
78 |
19 |
14695 |
◊ |
C |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
77 |
21 |
14749 |
689.7 |
-3.5 |
0.671 |
2 |
2 |
0 |
0.000 |
4 |
|
A |
75 |
19 |
14804 |
◊ |
B |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
74 |
21 |
14799 |
668.8 |
-1.6 |
0.727 |
2 |
3 |
0 |
0.000 |
Average: |
679.2 |
-2.6 |
0.699 |
2 |
3 |
0 |
0.000 |
3 |
5 |
|
[NAP]B:401 |
46 |
1 |
917 |
f |
B |
x,y,z |
1_555 |
92 |
35 |
14799 |
626.4 |
-4.0 |
0.609 |
14 |
0 |
0 |
0.151 |
6 |
|
[NAP]D:401 |
47 |
1 |
918 |
f |
D |
x,y,z |
1_555 |
90 |
33 |
14695 |
626.3 |
-3.8 |
0.601 |
15 |
0 |
0 |
0.151 |
7 |
|
[NAP]C:401 |
46 |
1 |
914 |
f |
C |
x,y,z |
1_555 |
91 |
34 |
14749 |
624.9 |
-4.0 |
0.640 |
14 |
0 |
0 |
0.151 |
8 |
|
[NAP]A:401 |
47 |
1 |
913 |
f |
A |
x,y,z |
1_555 |
89 |
34 |
14804 |
624.2 |
-3.8 |
0.605 |
14 |
0 |
0 |
0.151 |
Average: |
625.5 |
-3.9 |
0.614 |
14 |
0 |
0 |
0.151 |
4 |
9 |
|
A |
41 |
13 |
14804 |
◊ |
B |
-y+1,x-y,z |
2_655 |
30 |
8 |
14799 |
347.3 |
1.0 |
0.818 |
3 |
0 |
0 |
0.000 |
10 |
|
D |
40 |
14 |
14695 |
◊ |
C |
-y,x-y,z |
2_555 |
31 |
8 |
14749 |
343.1 |
1.0 |
0.837 |
3 |
0 |
0 |
0.000 |
Average: |
345.2 |
1.0 |
0.828 |
3 |
0 |
0 |
0.000 |
5 |
11 |
|
B |
30 |
10 |
14799 |
◊ |
A |
-y+1,x-y,z |
2_655 |
32 |
9 |
14804 |
267.3 |
-0.8 |
0.654 |
3 |
1 |
0 |
0.000 |
12 |
|
C |
28 |
8 |
14749 |
◊ |
D |
-y,x-y,z |
2_555 |
31 |
8 |
14695 |
263.2 |
-1.7 |
0.539 |
2 |
0 |
0 |
0.000 |
Average: |
265.2 |
-1.3 |
0.597 |
3 |
1 |
0 |
0.000 |
6 |
13 |
|
A |
27 |
12 |
14804 |
x |
A |
-y+1,x-y,z |
2_655 |
19 |
8 |
14804 |
241.9 |
0.3 |
0.553 |
3 |
2 |
0 |
0.000 |
14 |
|
D |
25 |
11 |
14695 |
x |
D |
-y,x-y,z |
2_555 |
18 |
8 |
14695 |
236.0 |
0.5 |
0.592 |
3 |
2 |
0 |
0.000 |
Average: |
238.9 |
0.4 |
0.573 |
3 |
2 |
0 |
0.000 |
7 |
15 |
|
[8YV]C:402 |
13 |
1 |
318 |
f |
C |
x,y,z |
1_555 |
29 |
14 |
14749 |
199.9 |
0.5 |
0.507 |
8 |
0 |
0 |
0.038 |
16 |
|
[8YV]B:402 |
13 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
27 |
13 |
14799 |
197.8 |
0.8 |
0.505 |
8 |
0 |
0 |
0.038 |
17 |
|
[8YV]D:402 |
13 |
1 |
314 |
f |
D |
x,y,z |
1_555 |
26 |
13 |
14695 |
196.0 |
0.9 |
0.504 |
7 |
0 |
0 |
0.038 |
18 |
|
[8YV]A:402 |
13 |
1 |
313 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
14804 |
196.0 |
1.0 |
0.514 |
8 |
0 |
0 |
0.038 |
Average: |
197.4 |
0.8 |
0.508 |
8 |
0 |
0 |
0.038 |
8 |
19 |
|
[PG4]A:407 |
12 |
1 |
414 |
◊ |
A |
x,y,z |
1_555 |
20 |
9 |
14804 |
162.3 |
2.6 |
0.203 |
0 |
0 |
0 |
0.000 |
9 |
20 |
|
[PG4]A:407 |
11 |
1 |
414 |
◊ |
A |
-y+1,x-y,z |
2_655 |
12 |
4 |
14804 |
129.3 |
2.7 |
0.289 |
2 |
0 |
0 |
0.000 |
10 |
21 |
|
C |
13 |
4 |
14749 |
◊ |
B |
x-1/3,y+1/3,z+1/3 |
4_455 |
11 |
4 |
14799 |
100.1 |
-0.8 |
0.511 |
1 |
2 |
0 |
0.000 |
11 |
22 |
|
[GOL]B:406 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
14799 |
98.0 |
-0.5 |
0.604 |
3 |
0 |
0 |
0.012 |
12 |
23 |
|
[GOL]D:407 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
14695 |
90.4 |
-0.5 |
0.564 |
3 |
0 |
0 |
0.013 |
13 |
24 |
|
[PEG]A:404 |
6 |
1 |
260 |
◊ |
A |
-y+1,x-y,z |
2_655 |
16 |
3 |
14804 |
85.4 |
1.5 |
0.296 |
0 |
0 |
0 |
0.000 |
25 |
|
[PEG]D:404 |
6 |
1 |
261 |
◊ |
D |
x,y,z |
1_555 |
16 |
3 |
14695 |
84.4 |
1.8 |
0.306 |
0 |
0 |
0 |
0.000 |
Average: |
84.9 |
1.7 |
0.301 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
[CL]B:405 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
14799 |
67.9 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.141 |
27 |
|
[CL]D:406 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14695 |
67.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.141 |
28 |
|
[CL]A:406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
14804 |
67.5 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.141 |
Average: |
67.6 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.141 |
15 |
29 |
|
[8YV]C:402 |
7 |
1 |
318 |
f |
[NAP]C:401 |
x,y,z |
1_555 |
9 |
1 |
914 |
67.6 |
0.5 |
0.537 |
0 |
0 |
0 |
0.000 |
30 |
|
[8YV]B:402 |
7 |
1 |
315 |
f |
[NAP]B:401 |
x,y,z |
1_555 |
9 |
1 |
917 |
66.2 |
0.5 |
0.521 |
0 |
0 |
0 |
0.000 |
31 |
|
[8YV]D:402 |
7 |
1 |
314 |
f |
[NAP]D:401 |
x,y,z |
1_555 |
9 |
1 |
918 |
65.5 |
0.6 |
0.502 |
0 |
0 |
0 |
0.000 |
32 |
|
[8YV]A:402 |
7 |
1 |
313 |
f |
[NAP]A:401 |
x,y,z |
1_555 |
8 |
1 |
913 |
65.2 |
0.6 |
0.499 |
0 |
0 |
0 |
0.000 |
Average: |
66.1 |
0.5 |
0.515 |
0 |
0 |
0 |
0.000 |
16 |
33 |
|
C |
8 |
3 |
14749 |
f |
[PEG]D:404 |
-y,x-y,z |
2_555 |
7 |
1 |
261 |
66.2 |
0.1 |
0.103 |
0 |
0 |
0 |
0.000 |
34 |
|
[PEG]A:404 |
7 |
1 |
260 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
14799 |
63.1 |
0.9 |
0.134 |
0 |
0 |
0 |
0.000 |
Average: |
64.7 |
0.5 |
0.118 |
0 |
0 |
0 |
0.000 |
17 |
35 |
|
B |
9 |
3 |
14799 |
x |
B |
-y+1,x-y,z |
2_655 |
7 |
1 |
14799 |
65.4 |
1.4 |
0.867 |
1 |
1 |
0 |
0.000 |
36 |
|
C |
9 |
3 |
14749 |
x |
C |
-y,x-y,z |
2_555 |
7 |
1 |
14749 |
63.2 |
1.6 |
0.907 |
1 |
1 |
0 |
0.000 |
Average: |
64.3 |
1.5 |
0.887 |
1 |
1 |
0 |
0.000 |
18 |
37 |
|
[CL]D:405 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
14695 |
64.8 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.124 |
38 |
|
[CL]B:404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
14799 |
64.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.124 |
39 |
|
[CL]A:405 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
14804 |
64.7 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.124 |
40 |
|
[CL]C:404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
14749 |
63.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
64.4 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.124 |
19 |
41 |
|
D |
6 |
3 |
14695 |
◊ |
[PEG]D:404 |
-y,x-y,z |
2_555 |
4 |
1 |
261 |
64.1 |
2.7 |
0.530 |
0 |
0 |
0 |
0.000 |
42 |
|
[PEG]A:404 |
6 |
1 |
260 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14804 |
61.5 |
2.5 |
0.363 |
0 |
0 |
0 |
0.000 |
Average: |
62.8 |
2.6 |
0.447 |
0 |
0 |
0 |
0.000 |
20 |
43 |
|
[NA]A:403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
6 |
14804 |
63.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.159 |
44 |
|
[NA]D:403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
6 |
6 |
14695 |
63.5 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.159 |
45 |
|
[NA]C:403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
6 |
14749 |
63.5 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.159 |
46 |
|
[NA]B:403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
6 |
14799 |
62.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.159 |
Average: |
63.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.159 |
21 |
47 |
|
[GOL]B:406 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
14804 |
44.3 |
-0.5 |
0.375 |
0 |
0 |
0 |
0.003 |
22 |
48 |
|
[GOL]D:407 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
14749 |
41.8 |
-0.5 |
0.348 |
0 |
0 |
0 |
0.004 |
23 |
49 |
|
[MG]A:409 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
14804 |
37.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.030 |
50 |
|
[MG]D:409 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
3 |
14695 |
36.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.030 |
Average: |
36.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.030 |
24 |
51 |
|
[MG]B:407 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
14799 |
35.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.028 |
25 |
52 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
[NAP]C:401 |
x,y,z |
1_555 |
5 |
1 |
914 |
34.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.054 |
53 |
|
[MG]B:408 |
1 |
1 |
98 |
f |
[NAP]B:401 |
x,y,z |
1_555 |
5 |
1 |
917 |
34.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.054 |
54 |
|
[MG]D:408 |
1 |
1 |
98 |
f |
[NAP]D:401 |
x,y,z |
1_555 |
5 |
1 |
918 |
33.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.054 |
55 |
|
[MG]A:408 |
1 |
1 |
98 |
f |
[NAP]A:401 |
x,y,z |
1_555 |
5 |
1 |
913 |
33.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.054 |
Average: |
34.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.054 |
26 |
56 |
|
A |
7 |
2 |
14804 |
◊ |
[MG]B:407 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
1 |
1 |
98 |
33.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
27 |
57 |
|
[CL]C:404 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14695 |
32.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.057 |
58 |
|
[CL]A:405 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
14799 |
31.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.057 |
59 |
|
[CL]B:404 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14804 |
30.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.057 |
60 |
|
[CL]D:405 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14749 |
30.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.057 |
Average: |
31.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.057 |
28 |
61 |
|
[PG4]A:407 |
2 |
1 |
414 |
◊ |
B |
-y+1,x-y,z |
2_655 |
6 |
3 |
14799 |
28.4 |
1.1 |
0.470 |
0 |
0 |
0 |
0.000 |
29 |
62 |
|
B |
6 |
3 |
14799 |
◊ |
D |
-y+2/3,x-y+1/3,z-2/3 |
5_554 |
4 |
2 |
14695 |
27.8 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
30 |
63 |
|
[PG4]A:407 |
2 |
1 |
414 |
f |
[PEG]A:404 |
x,y,z |
1_555 |
2 |
1 |
260 |
25.1 |
-0.3 |
0.147 |
1 |
0 |
0 |
0.005 |
31 |
64 |
|
[MG]B:408 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14799 |
18.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.016 |
65 |
|
[MG]A:408 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
14804 |
18.3 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.016 |
66 |
|
[MG]D:408 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
14695 |
15.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
67 |
|
[MG]C:405 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
14749 |
15.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
16.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
32 |
68 |
|
[PG4]A:407 |
1 |
1 |
414 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
14799 |
3.6 |
-0.0 |
0.352 |
0 |
0 |
0 |
0.000 |
|