## |
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 |
|
E |
140 |
34 |
12401 |
◊ |
A |
x,y,z |
1_555 |
180 |
50 |
17701 |
1517.8 |
-19.6 |
0.128 |
20 |
2 |
0 |
0.424 |
2 |
2 |
|
D |
138 |
37 |
16976 |
◊ |
C |
x,y,z |
1_555 |
139 |
35 |
17943 |
1300.1 |
-13.9 |
0.119 |
13 |
12 |
0 |
0.273 |
3 |
|
B |
138 |
33 |
17022 |
◊ |
A |
x,y,z |
1_555 |
143 |
32 |
17701 |
1298.5 |
-14.1 |
0.112 |
8 |
9 |
0 |
0.273 |
Average: |
1299.3 |
-14.0 |
0.115 |
11 |
11 |
0 |
0.273 |
3 |
4 |
|
B |
87 |
24 |
17022 |
◊ |
C |
x,y,z |
1_555 |
101 |
28 |
17943 |
832.6 |
-8.7 |
0.201 |
15 |
1 |
0 |
0.229 |
4 |
5 |
|
E |
75 |
17 |
12401 |
◊ |
C |
x,y,z |
1_555 |
88 |
26 |
17943 |
776.6 |
-8.5 |
0.283 |
9 |
6 |
0 |
0.158 |
5 |
6 |
|
F |
83 |
22 |
16090 |
◊ |
A |
x,y,z |
1_555 |
87 |
23 |
17701 |
764.9 |
0.2 |
0.791 |
6 |
5 |
0 |
0.000 |
6 |
7 |
|
F |
92 |
26 |
16090 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
78 |
21 |
16976 |
740.2 |
1.1 |
0.791 |
9 |
1 |
0 |
0.000 |
7 |
8 |
|
E |
59 |
16 |
12401 |
◊ |
D |
x,y,z |
1_555 |
79 |
21 |
16976 |
667.4 |
-5.3 |
0.431 |
4 |
3 |
0 |
0.033 |
8 |
9 |
|
E |
52 |
14 |
12401 |
◊ |
B |
x,y,z |
1_555 |
79 |
21 |
17022 |
605.5 |
-1.5 |
0.667 |
3 |
5 |
0 |
0.043 |
9 |
10 |
|
C |
65 |
18 |
17943 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
46 |
12 |
12401 |
506.0 |
-2.8 |
0.563 |
7 |
4 |
0 |
0.003 |
10 |
11 |
|
[GTP]A:501 |
31 |
1 |
634 |
f |
A |
x,y,z |
1_555 |
65 |
29 |
17701 |
432.1 |
-2.7 |
0.571 |
17 |
0 |
0 |
0.178 |
12 |
|
[GTP]C:502 |
31 |
1 |
630 |
f |
C |
x,y,z |
1_555 |
62 |
28 |
17943 |
427.4 |
-3.2 |
0.544 |
20 |
0 |
0 |
0.178 |
Average: |
429.8 |
-2.9 |
0.557 |
19 |
0 |
0 |
0.178 |
11 |
13 |
|
A |
46 |
13 |
17701 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
52 |
11 |
17943 |
419.0 |
0.3 |
0.754 |
4 |
4 |
0 |
0.000 |
12 |
14 |
|
[93X]D:505 |
27 |
1 |
610 |
f |
D |
x,y,z |
1_555 |
65 |
24 |
16976 |
412.1 |
-8.6 |
0.288 |
2 |
0 |
0 |
0.121 |
15 |
|
[93X]B:508 |
27 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
60 |
24 |
17022 |
406.2 |
-8.1 |
0.318 |
0 |
0 |
0 |
0.121 |
Average: |
409.2 |
-8.4 |
0.303 |
1 |
0 |
0 |
0.121 |
13 |
16 |
|
[GDP]D:501 |
28 |
1 |
566 |
f |
D |
x,y,z |
1_555 |
62 |
28 |
16976 |
402.1 |
-6.3 |
0.606 |
14 |
0 |
0 |
0.181 |
17 |
|
[GDP]B:501 |
27 |
1 |
563 |
f |
B |
x,y,z |
1_555 |
64 |
28 |
17022 |
400.1 |
-6.5 |
0.581 |
13 |
0 |
0 |
0.181 |
Average: |
401.1 |
-6.4 |
0.594 |
14 |
0 |
0 |
0.181 |
14 |
18 |
|
[ACP]F:402 |
30 |
1 |
640 |
f |
F |
x,y,z |
1_555 |
54 |
21 |
16090 |
393.3 |
-2.3 |
0.564 |
6 |
0 |
0 |
0.033 |
15 |
19 |
|
F |
41 |
12 |
16090 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
17022 |
310.4 |
-0.7 |
0.514 |
4 |
0 |
0 |
0.000 |
16 |
20 |
|
A |
34 |
11 |
17701 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
32 |
12 |
17943 |
304.2 |
-0.5 |
0.584 |
2 |
1 |
0 |
0.000 |
17 |
21 |
|
C |
27 |
6 |
17943 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
32 |
10 |
17022 |
224.5 |
-0.1 |
0.643 |
1 |
1 |
0 |
0.000 |
18 |
22 |
|
E |
27 |
5 |
12401 |
◊ |
C |
-x+1/2,-y-1,z-1/2 |
2_544 |
26 |
10 |
17943 |
219.3 |
-1.2 |
0.585 |
1 |
0 |
0 |
0.000 |
19 |
23 |
|
[MES]B:507 |
12 |
1 |
337 |
◊ |
B |
x,y,z |
1_555 |
34 |
12 |
17022 |
200.6 |
7.3 |
0.411 |
0 |
0 |
0 |
0.000 |
20 |
24 |
|
[GOL]C:506 |
6 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
26 |
11 |
17943 |
150.4 |
0.8 |
0.632 |
6 |
0 |
0 |
0.027 |
21 |
25 |
|
[GOL]A:504 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
17701 |
139.1 |
-0.3 |
0.589 |
4 |
0 |
0 |
0.030 |
22 |
26 |
|
B |
18 |
5 |
17022 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
23 |
6 |
16976 |
137.6 |
-0.9 |
0.504 |
1 |
1 |
0 |
0.000 |
23 |
27 |
|
[IMD]C:509 |
5 |
1 |
197 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
17943 |
127.8 |
4.1 |
0.427 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[GOL]B:505 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
17022 |
124.9 |
1.0 |
0.719 |
1 |
0 |
0 |
0.000 |
25 |
29 |
|
[GOL]A:503 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
17701 |
121.7 |
-0.1 |
0.613 |
6 |
0 |
0 |
0.040 |
26 |
30 |
|
[GOL]C:505 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
17943 |
119.1 |
0.6 |
0.679 |
3 |
0 |
0 |
0.011 |
27 |
31 |
|
[GOL]C:504 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
24 |
7 |
17943 |
118.4 |
-0.9 |
0.483 |
1 |
0 |
0 |
0.020 |
28 |
32 |
|
D |
11 |
3 |
16976 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
17 |
6 |
12401 |
114.6 |
2.8 |
0.905 |
1 |
4 |
0 |
0.000 |
29 |
33 |
|
[GOL]A:506 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
17701 |
113.1 |
0.9 |
0.704 |
5 |
0 |
0 |
0.019 |
30 |
34 |
|
[GOL]D:503 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
26 |
8 |
16976 |
112.8 |
-0.2 |
0.590 |
3 |
0 |
0 |
0.019 |
31 |
35 |
|
[IMD]C:508 |
5 |
1 |
196 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
17943 |
110.9 |
3.0 |
0.302 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[GOL]B:504 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
17022 |
109.3 |
-0.7 |
0.487 |
3 |
0 |
0 |
0.031 |
33 |
37 |
|
B |
12 |
4 |
17022 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
11 |
6 |
12401 |
99.8 |
0.1 |
0.680 |
1 |
1 |
0 |
0.000 |
34 |
38 |
|
[GOL]D:504 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
16976 |
89.8 |
-0.6 |
0.459 |
2 |
0 |
0 |
0.019 |
35 |
39 |
|
[93X]D:505 |
9 |
1 |
610 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
17943 |
86.7 |
-2.4 |
0.507 |
2 |
0 |
0 |
0.042 |
40 |
|
[93X]B:508 |
9 |
1 |
603 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
17701 |
84.7 |
-2.6 |
0.468 |
1 |
0 |
0 |
0.042 |
Average: |
85.7 |
-2.5 |
0.488 |
2 |
0 |
0 |
0.042 |
36 |
41 |
|
[GOL]C:501 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
17943 |
86.3 |
-0.4 |
0.544 |
1 |
0 |
0 |
0.013 |
37 |
42 |
|
C |
7 |
3 |
17943 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
18 |
8 |
17943 |
84.9 |
0.8 |
0.739 |
0 |
0 |
0 |
0.000 |
38 |
43 |
|
[GOL]C:501 |
6 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
17022 |
83.9 |
-0.7 |
0.500 |
0 |
0 |
0 |
0.010 |
39 |
44 |
|
[GOL]B:503 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
12 |
3 |
17022 |
83.7 |
0.3 |
0.649 |
2 |
0 |
0 |
0.008 |
40 |
45 |
|
[GOL]B:503 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
17943 |
70.6 |
-0.3 |
0.530 |
0 |
0 |
0 |
0.004 |
41 |
46 |
|
[IMD]E:201 |
5 |
1 |
197 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
12401 |
63.1 |
1.6 |
0.202 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
16976 |
53.8 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.075 |
48 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
17022 |
47.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
50.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.075 |
43 |
49 |
|
[IMD]E:201 |
5 |
1 |
197 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
17943 |
50.0 |
2.1 |
0.172 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[MG]F:401 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
9 |
6 |
16090 |
47.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.049 |
45 |
51 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
17701 |
46.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.100 |
52 |
|
[MG]C:503 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
17943 |
43.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
44.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.100 |
46 |
53 |
|
[IMD]E:201 |
4 |
1 |
197 |
cf |
[GOL]D:504 |
x,y,z |
1_555 |
5 |
1 |
220 |
44.5 |
1.3 |
0.135 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[IMD]E:201 |
5 |
1 |
197 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
16976 |
43.5 |
0.9 |
0.074 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[CA]A:505 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
17701 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.187 |
49 |
56 |
|
[GOL]D:504 |
4 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
17943 |
40.5 |
-0.5 |
0.485 |
0 |
0 |
0 |
0.006 |
50 |
57 |
|
[GOL]C:504 |
4 |
1 |
222 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
16976 |
39.3 |
0.2 |
0.633 |
1 |
0 |
0 |
0.003 |
51 |
58 |
|
[GOL]A:504 |
4 |
1 |
221 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
16090 |
35.5 |
0.8 |
0.681 |
1 |
0 |
0 |
0.000 |
52 |
59 |
|
[CA]B:506 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
17022 |
32.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.037 |
60 |
|
[CA]C:507 |
1 |
1 |
85 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
4 |
2 |
17022 |
24.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
28.5 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.037 |
53 |
61 |
|
[CA]C:507 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
17943 |
31.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.094 |
62 |
|
C |
6 |
3 |
17943 |
◊ |
[CA]B:506 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
85 |
24.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.094 |
Average: |
28.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.094 |
54 |
63 |
|
[GOL]A:506 |
3 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
12401 |
31.4 |
0.6 |
0.723 |
1 |
0 |
0 |
0.000 |
55 |
64 |
|
[GOL]C:506 |
4 |
1 |
223 |
◊ |
E |
x,y,z |
1_555 |
6 |
1 |
12401 |
31.2 |
-0.2 |
0.546 |
0 |
0 |
0 |
0.003 |
56 |
65 |
|
[GDP]D:501 |
7 |
1 |
566 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.058 |
66 |
|
[GDP]B:501 |
6 |
1 |
563 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
29.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.058 |
57 |
67 |
|
[MG]C:503 |
1 |
1 |
98 |
f |
[GTP]C:502 |
x,y,z |
1_555 |
5 |
1 |
630 |
29.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.058 |
68 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
[GTP]A:501 |
x,y,z |
1_555 |
4 |
1 |
634 |
27.6 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.058 |
Average: |
28.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.058 |
58 |
69 |
|
[MES]B:507 |
4 |
1 |
337 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
17701 |
29.1 |
0.3 |
0.102 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
D |
4 |
2 |
16976 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
17701 |
28.2 |
0.7 |
0.820 |
1 |
1 |
0 |
0.000 |
60 |
71 |
|
[GOL]C:505 |
2 |
1 |
221 |
◊ |
E |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
12401 |
27.6 |
0.0 |
0.456 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
E |
2 |
2 |
12401 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
5 |
3 |
17022 |
27.3 |
-0.1 |
0.554 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[GOL]D:504 |
3 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
12401 |
25.8 |
0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
63 |
74 |
|
[IMD]C:508 |
2 |
1 |
196 |
f |
[GOL]B:503 |
x,y,z |
1_555 |
3 |
1 |
218 |
23.9 |
0.6 |
0.271 |
0 |
0 |
0 |
0.000 |
64 |
75 |
|
[ACP]F:402 |
6 |
1 |
640 |
f |
[MG]F:401 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.018 |
65 |
76 |
|
[CA]C:507 |
1 |
1 |
85 |
f |
[CA]B:506 |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
85 |
21.6 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.100 |
66 |
77 |
|
[GTP]A:501 |
4 |
1 |
634 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
17022 |
18.4 |
0.1 |
0.394 |
0 |
0 |
0 |
0.000 |
78 |
|
[GTP]C:502 |
3 |
1 |
630 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
16976 |
15.9 |
0.2 |
0.565 |
0 |
0 |
0 |
0.000 |
Average: |
17.1 |
0.1 |
0.480 |
0 |
0 |
0 |
0.000 |
67 |
79 |
|
F |
2 |
1 |
16090 |
◊ |
B |
-x+1/2,-y-1,z-1/2 |
2_544 |
2 |
2 |
17022 |
14.0 |
0.3 |
0.811 |
0 |
0 |
0 |
0.000 |
68 |
80 |
|
[MG]B:502 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17943 |
13.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
69 |
81 |
|
[MG]C:503 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
16976 |
8.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.008 |
70 |
82 |
|
[IMD]C:509 |
1 |
1 |
197 |
f |
[GOL]C:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
4.4 |
0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
71 |
83 |
|
D |
1 |
1 |
16976 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
17022 |
2.9 |
0.0 |
0.733 |
0 |
0 |
0 |
0.000 |
72 |
84 |
|
[GOL]B:504 |
1 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17943 |
1.8 |
-0.0 |
0.468 |
0 |
0 |
0 |
0.000 |
73 |
85 |
|
[GDP]B:501 |
1 |
1 |
563 |
f |
[GOL]B:504 |
x,y,z |
1_555 |
1 |
1 |
221 |
1.5 |
-0.1 |
0.430 |
0 |
0 |
0 |
0.002 |
|