## |
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 |
262 |
64 |
15986 |
◊ |
A |
x,y,z |
1_555 |
253 |
64 |
15824 |
2386.7 |
-20.6 |
0.129 |
24 |
14 |
0 |
0.502 |
2 |
|
C |
257 |
62 |
16127 |
◊ |
B |
x,y,z |
1_555 |
261 |
63 |
15877 |
2360.4 |
-15.6 |
0.246 |
26 |
14 |
0 |
0.502 |
Average: |
2373.5 |
-18.1 |
0.188 |
25 |
14 |
0 |
0.502 |
2 |
3 |
|
C |
131 |
34 |
16127 |
◊ |
A |
-x,y,-z+1 |
2_556 |
139 |
36 |
15824 |
1222.4 |
-12.1 |
0.154 |
17 |
6 |
0 |
0.443 |
4 |
|
D |
133 |
35 |
15986 |
◊ |
B |
x,y,z |
1_555 |
133 |
35 |
15877 |
1206.8 |
-12.1 |
0.157 |
15 |
6 |
0 |
0.443 |
Average: |
1214.6 |
-12.1 |
0.156 |
16 |
6 |
0 |
0.443 |
3 |
5 |
|
D |
100 |
29 |
15986 |
◊ |
C |
-x,y,-z+1 |
2_556 |
114 |
33 |
16127 |
987.0 |
-2.1 |
0.473 |
15 |
8 |
0 |
0.410 |
6 |
|
D |
112 |
31 |
15986 |
◊ |
C |
x,y,z |
1_555 |
97 |
29 |
16127 |
981.1 |
-2.2 |
0.456 |
17 |
8 |
0 |
0.410 |
7 |
|
B |
114 |
30 |
15877 |
◊ |
A |
x,y,z |
1_555 |
94 |
29 |
15824 |
959.6 |
-3.0 |
0.436 |
15 |
7 |
0 |
0.410 |
8 |
|
B |
98 |
30 |
15877 |
◊ |
A |
-x,y,-z+1 |
2_556 |
112 |
32 |
15824 |
955.4 |
-1.8 |
0.563 |
14 |
8 |
0 |
0.410 |
Average: |
970.8 |
-2.3 |
0.482 |
15 |
8 |
0 |
0.410 |
4 |
9 |
|
A |
14 |
5 |
15824 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
5 |
15824 |
163.6 |
-0.5 |
0.550 |
4 |
4 |
0 |
0.000 |
5 |
10 |
|
[GOL]D:502 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
15986 |
144.5 |
-1.0 |
0.470 |
5 |
0 |
0 |
0.068 |
6 |
11 |
|
[GOL]C:501 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
16127 |
119.2 |
-0.5 |
0.548 |
3 |
0 |
0 |
0.039 |
7 |
12 |
|
[GOL]B:501 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
15877 |
119.1 |
-0.4 |
0.537 |
3 |
0 |
0 |
0.036 |
8 |
13 |
|
[GOL]A:501 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
15824 |
117.3 |
-0.5 |
0.563 |
3 |
0 |
0 |
0.039 |
9 |
14 |
|
[GOL]D:501 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
15986 |
117.0 |
-0.4 |
0.554 |
3 |
0 |
0 |
0.036 |
10 |
15 |
|
[GOL]C:503 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
16127 |
101.8 |
-0.6 |
0.517 |
2 |
0 |
0 |
0.032 |
11 |
16 |
|
A |
11 |
3 |
15824 |
◊ |
D |
x,y-1,z |
1_545 |
9 |
3 |
15986 |
95.3 |
-0.1 |
0.610 |
4 |
0 |
0 |
0.000 |
17 |
|
B |
10 |
3 |
15877 |
◊ |
C |
x,y-1,z |
1_545 |
10 |
3 |
16127 |
91.2 |
-0.2 |
0.594 |
2 |
0 |
0 |
0.000 |
Average: |
93.2 |
-0.2 |
0.602 |
3 |
0 |
0 |
0.000 |
12 |
18 |
|
[GOL]B:504 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
15877 |
94.6 |
-0.2 |
0.588 |
1 |
0 |
0 |
0.032 |
19 |
|
[GOL]A:505 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
15824 |
90.8 |
-0.1 |
0.596 |
2 |
0 |
0 |
0.032 |
Average: |
92.7 |
-0.1 |
0.592 |
2 |
0 |
0 |
0.032 |
13 |
20 |
|
[GOL]C:502 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
16127 |
88.5 |
0.8 |
0.708 |
6 |
0 |
0 |
0.040 |
14 |
21 |
|
[GOL]D:504 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
15986 |
83.2 |
-0.7 |
0.413 |
5 |
0 |
0 |
0.061 |
15 |
22 |
|
[GOL]B:502 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
15877 |
81.8 |
-0.6 |
0.452 |
4 |
0 |
0 |
0.050 |
16 |
23 |
|
[GOL]C:502 |
5 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
15877 |
79.6 |
-0.4 |
0.522 |
1 |
0 |
0 |
0.014 |
17 |
24 |
|
[GOL]A:503 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
15824 |
75.7 |
-0.5 |
0.432 |
4 |
0 |
0 |
0.050 |
18 |
25 |
|
[FMT]B:506 |
3 |
1 |
149 |
f |
B |
x,y,z |
1_555 |
17 |
11 |
15877 |
70.7 |
2.1 |
0.503 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
[FMT]D:505 |
3 |
1 |
148 |
f |
D |
x,y,z |
1_555 |
20 |
12 |
15986 |
70.3 |
1.5 |
0.802 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[FMT]A:506 |
3 |
1 |
149 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
15824 |
69.5 |
1.9 |
0.825 |
1 |
0 |
0 |
0.000 |
21 |
28 |
|
[FMT]C:505 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
16127 |
67.2 |
2.5 |
0.833 |
2 |
0 |
0 |
0.000 |
22 |
29 |
|
[GOL]D:504 |
5 |
1 |
218 |
◊ |
C |
-x,y,-z+1 |
2_556 |
10 |
4 |
16127 |
65.7 |
-0.6 |
0.441 |
0 |
0 |
0 |
0.012 |
23 |
30 |
|
[GOL]A:503 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
15877 |
59.0 |
-0.7 |
0.432 |
0 |
0 |
0 |
0.015 |
24 |
31 |
|
C |
7 |
2 |
16127 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
4 |
2 |
15824 |
54.2 |
0.5 |
0.728 |
0 |
1 |
0 |
0.000 |
25 |
32 |
|
[GOL]C:503 |
3 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
11 |
3 |
15986 |
53.9 |
-0.3 |
0.516 |
1 |
0 |
0 |
0.015 |
26 |
33 |
|
[GOL]A:505 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
15877 |
53.5 |
-0.2 |
0.560 |
2 |
0 |
0 |
0.042 |
34 |
|
[GOL]B:504 |
3 |
1 |
218 |
f |
A |
-x,y,-z+1 |
2_556 |
9 |
3 |
15824 |
44.9 |
-0.1 |
0.522 |
2 |
0 |
0 |
0.042 |
Average: |
49.2 |
-0.1 |
0.541 |
2 |
0 |
0 |
0.042 |
27 |
35 |
|
[GOL]B:502 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
16127 |
50.9 |
-0.1 |
0.573 |
1 |
0 |
0 |
0.010 |
28 |
36 |
|
[GOL]B:502 |
3 |
1 |
215 |
◊ |
A |
-x,y,-z+1 |
2_556 |
6 |
3 |
15824 |
47.8 |
-0.0 |
0.585 |
1 |
0 |
0 |
0.009 |
29 |
37 |
|
[GOL]B:501 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
16127 |
46.7 |
-1.0 |
0.259 |
0 |
0 |
0 |
0.017 |
30 |
38 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
5 |
15986 |
46.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.183 |
39 |
|
[CL]B:503 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
16127 |
46.2 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.183 |
40 |
|
[CL]B:503 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
15877 |
46.2 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.183 |
41 |
|
[CL]A:502 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
15824 |
46.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.183 |
Average: |
46.3 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.183 |
31 |
42 |
|
[GOL]D:501 |
3 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
15824 |
46.5 |
-1.1 |
0.250 |
0 |
0 |
0 |
0.016 |
32 |
43 |
|
C |
5 |
2 |
16127 |
x |
C |
-x-1/2,y-1/2,-z+1 |
4_446 |
4 |
1 |
16127 |
46.4 |
0.4 |
0.735 |
1 |
0 |
0 |
0.000 |
33 |
44 |
|
[GOL]C:501 |
4 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
15877 |
45.1 |
-0.9 |
0.360 |
0 |
0 |
0 |
0.015 |
34 |
45 |
|
[GOL]D:504 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
15824 |
44.9 |
-0.5 |
0.402 |
0 |
0 |
0 |
0.008 |
35 |
46 |
|
[GOL]A:503 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
15986 |
44.5 |
-0.3 |
0.487 |
0 |
0 |
0 |
0.004 |
36 |
47 |
|
B |
3 |
1 |
15877 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
3 |
2 |
15986 |
44.3 |
1.7 |
0.933 |
2 |
2 |
0 |
0.000 |
37 |
48 |
|
[GOL]A:501 |
5 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
15986 |
44.0 |
-0.7 |
0.332 |
0 |
0 |
0 |
0.010 |
38 |
49 |
|
[GOL]B:504 |
3 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
16127 |
39.4 |
0.8 |
0.815 |
1 |
0 |
0 |
0.000 |
50 |
|
[GOL]A:505 |
3 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
15986 |
35.0 |
0.8 |
0.726 |
1 |
0 |
0 |
0.000 |
Average: |
37.2 |
0.8 |
0.771 |
1 |
0 |
0 |
0.000 |
39 |
51 |
|
[GOL]C:503 |
3 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
15877 |
36.7 |
1.0 |
0.832 |
1 |
0 |
0 |
0.000 |
40 |
52 |
|
[MG]B:505 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
15877 |
34.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.265 |
53 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
15986 |
34.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.265 |
54 |
|
[MG]C:504 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
16127 |
34.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.265 |
55 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
15824 |
34.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.265 |
Average: |
34.6 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.265 |
41 |
56 |
|
[FMT]D:505 |
3 |
1 |
148 |
f |
[MG]D:503 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.123 |
57 |
|
[FMT]C:505 |
3 |
1 |
149 |
f |
[MG]C:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.123 |
58 |
|
[FMT]B:506 |
3 |
1 |
149 |
f |
[MG]B:505 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.123 |
59 |
|
[FMT]A:506 |
3 |
1 |
149 |
f |
[MG]A:504 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.6 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
25.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.123 |
42 |
60 |
|
[FMT]C:505 |
2 |
1 |
149 |
f |
[GOL]C:501 |
x,y,z |
1_555 |
3 |
1 |
220 |
24.7 |
-0.2 |
0.527 |
0 |
0 |
0 |
0.005 |
43 |
61 |
|
[FMT]B:506 |
2 |
1 |
149 |
f |
[GOL]B:501 |
x,y,z |
1_555 |
3 |
1 |
220 |
23.3 |
-0.3 |
0.505 |
0 |
0 |
0 |
0.007 |
44 |
62 |
|
[FMT]A:506 |
2 |
1 |
149 |
f |
[GOL]A:501 |
x,y,z |
1_555 |
3 |
1 |
218 |
22.5 |
-0.5 |
0.456 |
0 |
0 |
0 |
0.010 |
45 |
63 |
|
[FMT]D:505 |
2 |
1 |
148 |
f |
[GOL]D:501 |
x,y,z |
1_555 |
3 |
1 |
220 |
21.6 |
-0.4 |
0.505 |
0 |
0 |
0 |
0.008 |
46 |
64 |
|
[GOL]A:505 |
3 |
1 |
219 |
◊ |
[GOL]A:503 |
x,y,z |
1_555 |
4 |
1 |
218 |
19.0 |
-0.3 |
0.469 |
0 |
0 |
0 |
0.007 |
47 |
65 |
|
[FMT]D:505 |
2 |
1 |
148 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15824 |
15.5 |
0.3 |
0.683 |
1 |
0 |
0 |
0.003 |
48 |
66 |
|
[GOL]B:504 |
4 |
1 |
218 |
◊ |
[GOL]B:502 |
x,y,z |
1_555 |
3 |
1 |
215 |
14.3 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.002 |
49 |
67 |
|
[FMT]A:506 |
1 |
1 |
149 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15986 |
13.8 |
0.3 |
0.544 |
1 |
0 |
0 |
0.002 |
50 |
68 |
|
[FMT]B:506 |
2 |
1 |
149 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16127 |
12.7 |
0.3 |
0.699 |
1 |
0 |
0 |
0.003 |
51 |
69 |
|
[FMT]C:505 |
2 |
1 |
149 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15877 |
12.4 |
0.3 |
0.698 |
1 |
0 |
0 |
0.003 |
52 |
70 |
|
[GOL]D:502 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15824 |
8.4 |
0.2 |
0.672 |
0 |
0 |
0 |
0.000 |
53 |
71 |
|
[MG]A:504 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
15986 |
8.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
72 |
|
[MG]D:503 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15824 |
8.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
73 |
|
[MG]B:505 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
16127 |
7.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
74 |
|
[MG]C:504 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15877 |
7.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
8.0 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
54 |
75 |
|
[GOL]D:502 |
2 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15877 |
7.0 |
-0.2 |
0.385 |
0 |
0 |
0 |
0.005 |
55 |
76 |
|
[MG]B:505 |
1 |
1 |
98 |
f |
[GOL]B:501 |
x,y,z |
1_555 |
1 |
1 |
220 |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.010 |
77 |
|
[MG]A:504 |
1 |
1 |
98 |
f |
[GOL]A:501 |
x,y,z |
1_555 |
1 |
1 |
218 |
2.0 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.010 |
Average: |
2.2 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.010 |
56 |
78 |
|
[MG]C:504 |
1 |
1 |
98 |
f |
[GOL]C:501 |
x,y,z |
1_555 |
2 |
1 |
220 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.005 |
79 |
|
[MG]D:503 |
1 |
1 |
98 |
f |
[GOL]D:501 |
x,y,z |
1_555 |
1 |
1 |
220 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
Average: |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.005 |
|