## |
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 |
184 |
44 |
12164 |
◊ |
B |
x,y,z |
1_555 |
184 |
47 |
12184 |
1800.4 |
-35.4 |
0.008 |
7 |
0 |
0 |
0.486 |
2 |
|
C |
178 |
44 |
12127 |
◊ |
A |
x,y,z |
1_555 |
177 |
46 |
12255 |
1775.5 |
-34.9 |
0.006 |
6 |
0 |
0 |
0.486 |
Average: |
1787.9 |
-35.2 |
0.007 |
7 |
0 |
0 |
0.486 |
2 |
3 |
|
B |
153 |
39 |
12184 |
◊ |
A |
x,y,z |
1_555 |
154 |
39 |
12255 |
1379.6 |
-22.5 |
0.098 |
11 |
0 |
0 |
0.414 |
4 |
|
D |
153 |
39 |
12164 |
◊ |
C |
x,y,z |
1_555 |
152 |
39 |
12127 |
1344.4 |
-22.9 |
0.077 |
9 |
0 |
0 |
0.414 |
Average: |
1362.0 |
-22.7 |
0.088 |
10 |
0 |
0 |
0.414 |
3 |
5 |
|
[NAP]D:269 |
44 |
1 |
890 |
f |
D |
x,y,z |
1_555 |
90 |
33 |
12164 |
581.3 |
-0.8 |
0.729 |
15 |
0 |
0 |
0.230 |
6 |
|
[NAP]B:269 |
44 |
1 |
887 |
f |
B |
x,y,z |
1_555 |
89 |
33 |
12184 |
580.3 |
-0.8 |
0.731 |
16 |
0 |
0 |
0.230 |
7 |
|
[NAP]A:269 |
45 |
1 |
887 |
f |
A |
x,y,z |
1_555 |
93 |
33 |
12255 |
580.3 |
-1.1 |
0.732 |
17 |
0 |
0 |
0.230 |
8 |
|
[NAP]C:269 |
44 |
1 |
881 |
f |
C |
x,y,z |
1_555 |
87 |
33 |
12127 |
576.2 |
-0.8 |
0.739 |
15 |
0 |
0 |
0.230 |
Average: |
579.5 |
-0.9 |
0.733 |
16 |
0 |
0 |
0.230 |
4 |
9 |
|
D |
62 |
15 |
12164 |
◊ |
A |
x,y,z |
1_555 |
57 |
15 |
12255 |
536.4 |
-5.2 |
0.469 |
3 |
0 |
0 |
0.059 |
10 |
|
C |
57 |
14 |
12127 |
◊ |
B |
x,y,z |
1_555 |
56 |
15 |
12184 |
531.9 |
-5.3 |
0.459 |
4 |
0 |
0 |
0.059 |
Average: |
534.1 |
-5.2 |
0.464 |
4 |
0 |
0 |
0.059 |
5 |
11 |
|
B |
44 |
14 |
12184 |
◊ |
C |
x-1,y,z-1 |
1_454 |
52 |
18 |
12127 |
413.6 |
-2.0 |
0.674 |
4 |
0 |
0 |
0.000 |
6 |
12 |
|
A |
46 |
16 |
12255 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
42 |
13 |
12184 |
383.7 |
0.8 |
0.860 |
5 |
5 |
0 |
0.000 |
7 |
13 |
|
D |
26 |
8 |
12164 |
◊ |
A |
x-1,y,z |
1_455 |
25 |
6 |
12255 |
238.5 |
-4.1 |
0.241 |
1 |
0 |
0 |
0.000 |
8 |
14 |
|
[DTT]D:271 |
8 |
1 |
297 |
f |
D |
x,y,z |
1_555 |
25 |
10 |
12164 |
174.2 |
-3.9 |
0.440 |
0 |
0 |
0 |
0.121 |
15 |
|
[DTT]C:273 |
8 |
1 |
297 |
cf |
C |
x,y,z |
1_555 |
25 |
9 |
12127 |
174.2 |
-4.0 |
0.431 |
0 |
0 |
0 |
0.121 |
Average: |
174.2 |
-3.9 |
0.436 |
0 |
0 |
0 |
0.121 |
9 |
16 |
|
D |
24 |
8 |
12164 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
20 |
8 |
12127 |
173.1 |
0.4 |
0.784 |
1 |
0 |
0 |
0.000 |
10 |
17 |
|
[DTT]A:271 |
8 |
1 |
297 |
cf |
A |
x,y,z |
1_555 |
21 |
9 |
12255 |
172.8 |
-3.9 |
0.420 |
1 |
0 |
0 |
0.117 |
18 |
|
[DTT]B:271 |
8 |
1 |
298 |
cf |
B |
x,y,z |
1_555 |
19 |
9 |
12184 |
166.9 |
-3.8 |
0.392 |
1 |
0 |
0 |
0.117 |
Average: |
169.8 |
-3.8 |
0.406 |
1 |
0 |
0 |
0.117 |
11 |
19 |
|
[D1D]B:272 |
8 |
1 |
269 |
f |
B |
x,y,z |
1_555 |
29 |
13 |
12184 |
151.0 |
-2.0 |
0.399 |
0 |
0 |
0 |
0.062 |
20 |
|
[D1D]D:272 |
8 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
31 |
14 |
12164 |
148.7 |
-2.0 |
0.411 |
0 |
0 |
0 |
0.062 |
21 |
|
[D1D]A:272 |
8 |
1 |
269 |
f |
A |
x,y,z |
1_555 |
27 |
12 |
12255 |
147.7 |
-2.2 |
0.371 |
0 |
0 |
0 |
0.062 |
22 |
|
[D1D]C:270 |
8 |
1 |
268 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
12127 |
147.5 |
-2.1 |
0.379 |
0 |
0 |
0 |
0.062 |
Average: |
148.7 |
-2.1 |
0.390 |
0 |
0 |
0 |
0.062 |
12 |
23 |
|
[DTT]A:276 |
6 |
1 |
296 |
f |
B |
-x,y-1/2,-z |
2_545 |
13 |
6 |
12184 |
122.2 |
-1.5 |
0.596 |
1 |
0 |
0 |
0.026 |
13 |
24 |
|
[AX2]B:270 |
9 |
1 |
271 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
12184 |
121.8 |
-0.2 |
0.285 |
3 |
0 |
0 |
0.049 |
25 |
|
[AX2]A:270 |
9 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
12255 |
119.8 |
-0.3 |
0.245 |
4 |
0 |
0 |
0.049 |
26 |
|
[AX2]C:272 |
9 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
12127 |
119.7 |
-0.2 |
0.255 |
4 |
0 |
0 |
0.049 |
Average: |
120.4 |
-0.2 |
0.261 |
4 |
0 |
0 |
0.049 |
14 |
27 |
|
[AX2]D:270 |
9 |
1 |
270 |
f |
D |
x,y,z |
1_555 |
24 |
9 |
12164 |
121.6 |
-0.1 |
0.310 |
4 |
0 |
0 |
0.030 |
15 |
28 |
|
[GOL]A:277 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
12255 |
112.5 |
0.1 |
0.642 |
4 |
0 |
0 |
0.023 |
16 |
29 |
|
B |
14 |
7 |
12184 |
f |
[GOL]C:275 |
x-1,y,z-1 |
1_454 |
5 |
1 |
224 |
103.7 |
-0.6 |
0.505 |
3 |
0 |
0 |
0.027 |
17 |
30 |
|
[AX2]B:270 |
9 |
1 |
271 |
f |
[NAP]B:269 |
x,y,z |
1_555 |
16 |
1 |
887 |
96.1 |
-1.6 |
0.159 |
2 |
0 |
0 |
0.067 |
31 |
|
[AX2]A:270 |
9 |
1 |
270 |
f |
[NAP]A:269 |
x,y,z |
1_555 |
15 |
1 |
887 |
95.7 |
-1.6 |
0.137 |
2 |
0 |
0 |
0.067 |
32 |
|
[AX2]C:272 |
9 |
1 |
267 |
f |
[NAP]C:269 |
x,y,z |
1_555 |
16 |
1 |
881 |
94.7 |
-1.6 |
0.141 |
2 |
0 |
0 |
0.067 |
Average: |
95.5 |
-1.6 |
0.145 |
2 |
0 |
0 |
0.067 |
18 |
33 |
|
[AX2]D:270 |
9 |
1 |
270 |
f |
[NAP]D:269 |
x,y,z |
1_555 |
15 |
1 |
890 |
96.1 |
-1.7 |
0.123 |
2 |
0 |
0 |
0.040 |
19 |
34 |
|
[DTT]A:276 |
7 |
1 |
296 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
12255 |
92.3 |
2.1 |
0.874 |
3 |
0 |
0 |
0.000 |
20 |
35 |
|
B |
10 |
3 |
12184 |
◊ |
D |
x,y,z-1 |
1_554 |
7 |
3 |
12164 |
90.8 |
0.7 |
0.817 |
3 |
0 |
0 |
0.000 |
21 |
36 |
|
[ACT]D:273 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
12127 |
82.9 |
-0.9 |
0.649 |
0 |
0 |
0 |
0.014 |
22 |
37 |
|
[ACT]C:274 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
12164 |
82.6 |
-0.9 |
0.645 |
0 |
0 |
0 |
0.023 |
38 |
|
[ACT]A:275 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12184 |
82.4 |
-0.9 |
0.649 |
0 |
0 |
0 |
0.023 |
Average: |
82.5 |
-0.9 |
0.647 |
0 |
0 |
0 |
0.023 |
23 |
39 |
|
[ACT]A:274 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
12255 |
82.0 |
-0.9 |
0.649 |
0 |
0 |
0 |
0.013 |
24 |
40 |
|
[ACT]C:271 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
12127 |
77.4 |
-1.1 |
0.548 |
1 |
0 |
0 |
0.024 |
25 |
41 |
|
[ACT]A:273 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
12255 |
76.9 |
-0.6 |
0.668 |
1 |
0 |
0 |
0.014 |
26 |
42 |
|
[ACT]A:273 |
4 |
1 |
182 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
10 |
7 |
12184 |
71.4 |
-0.2 |
0.726 |
1 |
0 |
0 |
0.000 |
27 |
43 |
|
[GOL]A:277 |
5 |
1 |
218 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
12 |
6 |
12184 |
69.2 |
0.2 |
0.645 |
0 |
0 |
0 |
0.000 |
28 |
44 |
|
[GOL]C:275 |
6 |
1 |
224 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
12127 |
68.9 |
0.6 |
0.686 |
2 |
0 |
0 |
0.000 |
29 |
45 |
|
B |
6 |
5 |
12184 |
◊ |
[ACT]C:271 |
x-1,y,z-1 |
1_454 |
4 |
1 |
183 |
67.9 |
-0.6 |
0.530 |
1 |
0 |
0 |
0.000 |
30 |
46 |
|
[D1D]A:272 |
5 |
1 |
269 |
f |
[DTT]A:271 |
x,y,z |
1_555 |
6 |
1 |
297 |
50.3 |
-0.5 |
0.544 |
0 |
0 |
0 |
0.009 |
47 |
|
[D1D]B:272 |
5 |
1 |
269 |
f |
[DTT]B:271 |
x,y,z |
1_555 |
6 |
1 |
298 |
46.1 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.009 |
Average: |
48.2 |
-0.3 |
0.544 |
0 |
0 |
0 |
0.009 |
31 |
48 |
|
[D1D]C:270 |
5 |
1 |
268 |
f |
[DTT]C:273 |
x,y,z |
1_555 |
6 |
1 |
297 |
48.9 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.005 |
32 |
49 |
|
[D1D]D:272 |
5 |
1 |
270 |
f |
[DTT]D:271 |
x,y,z |
1_555 |
6 |
1 |
297 |
47.4 |
-0.2 |
0.537 |
0 |
0 |
0 |
0.004 |
33 |
50 |
|
[ACT]D:273 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
12164 |
45.9 |
0.3 |
0.733 |
0 |
0 |
0 |
0.000 |
51 |
|
[ACT]A:275 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
12255 |
43.9 |
0.5 |
0.799 |
1 |
0 |
0 |
0.000 |
52 |
|
[ACT]C:274 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
12127 |
43.5 |
0.3 |
0.741 |
0 |
0 |
0 |
0.000 |
Average: |
44.4 |
0.4 |
0.757 |
0 |
0 |
0 |
0.000 |
34 |
53 |
|
[ACT]A:274 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
12184 |
44.3 |
0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
35 |
54 |
|
[D1D]B:272 |
3 |
1 |
269 |
f |
[NAP]B:269 |
x,y,z |
1_555 |
5 |
1 |
887 |
35.4 |
0.3 |
0.488 |
0 |
0 |
0 |
0.000 |
55 |
|
[D1D]D:272 |
3 |
1 |
270 |
f |
[NAP]D:269 |
x,y,z |
1_555 |
5 |
1 |
890 |
34.8 |
0.3 |
0.488 |
0 |
0 |
0 |
0.000 |
56 |
|
[D1D]A:272 |
3 |
1 |
269 |
f |
[NAP]A:269 |
x,y,z |
1_555 |
5 |
1 |
887 |
32.5 |
0.2 |
0.488 |
0 |
0 |
0 |
0.000 |
57 |
|
[D1D]C:270 |
3 |
1 |
268 |
f |
[NAP]C:269 |
x,y,z |
1_555 |
5 |
1 |
881 |
32.2 |
0.3 |
0.493 |
0 |
0 |
0 |
0.000 |
Average: |
33.7 |
0.3 |
0.489 |
0 |
0 |
0 |
0.000 |
36 |
58 |
|
[D1D]B:272 |
4 |
1 |
269 |
f |
[AX2]B:270 |
x,y,z |
1_555 |
4 |
1 |
271 |
33.1 |
0.7 |
0.150 |
1 |
0 |
0 |
0.000 |
59 |
|
[D1D]A:272 |
4 |
1 |
269 |
f |
[AX2]A:270 |
x,y,z |
1_555 |
4 |
1 |
270 |
32.6 |
0.7 |
0.161 |
1 |
0 |
0 |
0.000 |
60 |
|
[D1D]C:270 |
4 |
1 |
268 |
f |
[AX2]C:272 |
x,y,z |
1_555 |
4 |
1 |
267 |
31.4 |
0.7 |
0.150 |
1 |
0 |
0 |
0.000 |
Average: |
32.3 |
0.7 |
0.154 |
1 |
0 |
0 |
0.000 |
37 |
61 |
|
[D1D]D:272 |
4 |
1 |
270 |
f |
[AX2]D:270 |
x,y,z |
1_555 |
4 |
1 |
270 |
32.4 |
0.6 |
0.150 |
1 |
0 |
0 |
0.000 |
38 |
62 |
|
[DTT]D:271 |
3 |
1 |
297 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
12255 |
26.6 |
-0.7 |
0.703 |
0 |
0 |
0 |
0.012 |
63 |
|
[DTT]C:273 |
2 |
1 |
297 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12184 |
26.5 |
-0.6 |
0.616 |
0 |
0 |
0 |
0.012 |
64 |
|
[DTT]B:271 |
2 |
1 |
298 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12127 |
26.1 |
-0.8 |
0.612 |
0 |
0 |
0 |
0.012 |
65 |
|
[DTT]A:271 |
3 |
1 |
297 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
12164 |
26.0 |
-0.7 |
0.697 |
0 |
0 |
0 |
0.012 |
Average: |
26.3 |
-0.7 |
0.657 |
0 |
0 |
0 |
0.012 |
39 |
66 |
|
A |
4 |
3 |
12255 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
3 |
12127 |
26.3 |
-0.2 |
0.566 |
0 |
0 |
0 |
0.000 |
40 |
67 |
|
D |
2 |
2 |
12164 |
◊ |
C |
x-1,y,z |
1_455 |
2 |
2 |
12127 |
15.1 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
68 |
|
B |
1 |
1 |
12184 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
2 |
12255 |
4.7 |
0.1 |
0.764 |
0 |
0 |
0 |
0.000 |
Average: |
9.9 |
0.2 |
0.726 |
0 |
0 |
0 |
0.000 |
41 |
69 |
|
[ACT]A:275 |
1 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
12164 |
12.4 |
0.1 |
0.541 |
0 |
0 |
0 |
0.000 |
70 |
|
[ACT]C:274 |
1 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
12184 |
12.0 |
0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
71 |
|
[ACT]D:273 |
1 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
12255 |
11.5 |
0.1 |
0.550 |
0 |
0 |
0 |
0.000 |
Average: |
12.0 |
0.1 |
0.548 |
0 |
0 |
0 |
0.000 |
42 |
72 |
|
[ACT]A:274 |
1 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
12127 |
12.3 |
0.1 |
0.557 |
0 |
0 |
0 |
0.000 |
43 |
73 |
|
[GOL]C:275 |
2 |
1 |
224 |
◊ |
[ACT]C:271 |
x,y,z |
1_555 |
2 |
1 |
183 |
7.7 |
-0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
44 |
74 |
|
[GOL]A:277 |
1 |
1 |
218 |
◊ |
[DTT]A:276 |
x,y,z |
1_555 |
1 |
1 |
296 |
2.6 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
|